(function(Wa,Mb,Nb,F,Ob,I,U,L,K,G,y,Pb,N,Qb,T,t,X,w,ua,$,W,f,va,fa,ga,Q,ma,na,oa,A,Rb,Sb,Xa,Tb,Ub,Vb,Wb,Ya,Za,Xb,Yb,Zb,$b,ac,bc,cc,dc,ec,fc,gc,hc,ic,jc,kc,lc,mc,e,j){I("JS");c$=G(function(){this.e=this.vwr=null;this.chk=!1;this.st=null;this.slen=0;K(this,arguments)},JS,"ScriptExt");e(c$,"init",function(a){this.e=a;this.vwr=this.e.vwr;return this},"~O");e(c$,"atomExpressionAt",function(a){return this.e.atomExpressionAt(a)},"~N");e(c$,"checkLength",function(a){this.e.checkLength(a)},"~N");e(c$,"error",
function(a){this.e.error(a)},"~N");e(c$,"invArg",function(){this.e.invArg()});e(c$,"invPO",function(){this.error(23)});e(c$,"getShapeProperty",function(a,b){return this.e.getShapeProperty(a,b)},"~N,~S");e(c$,"paramAsStr",function(a){return this.e.paramAsStr(a)},"~N");e(c$,"centerParameter",function(a){return this.e.centerParameter(a,null)},"~N");e(c$,"floatParameter",function(a){return this.e.floatParameter(a)},"~N");e(c$,"getPoint3f",function(a,b){return this.e.getPoint3f(a,b)},"~N,~B");e(c$,"intParameter",
function(a){return this.e.intParameter(a)},"~N");e(c$,"isFloatParameter",function(a){switch(this.e.tokAt(a)){case 2:case 3:return!0}return!1},"~N");e(c$,"setShapeProperty",function(a,b,c){this.e.setShapeProperty(a,b,c)},"~N,~S,~O");e(c$,"showString",function(a){this.e.showString(a)},"~S");e(c$,"stringParameter",function(a){return this.e.stringParameter(a)},"~N");e(c$,"getToken",function(a){return this.e.getToken(a)},"~N");e(c$,"tokAt",function(a){return this.e.tokAt(a)},"~N");e(c$,"setShapeId",function(a,
b,c){c&&this.invArg();b=this.e.setShapeNameParameter(b).toLowerCase();this.setShapeProperty(a,"thisID",b);return b},"~N,~N,~B");e(c$,"getColorTrans",function(a,b,c,d){c=3.4028235E38;1765808134!=a.theTok&&--b;switch(this.tokAt(b+1)){case 603979967:b++;c=this.isFloatParameter(b+1)?a.getTranslucentLevel(++b):this.vwr.getFloat(570425354);break;case 1073742074:b++,c=0}a.isColorParam(b+1)?d[0]=a.getArgbParam(++b):1073742333==this.tokAt(b+1)?(d[0]=0,a.iToken=b+1):3.4028235E38==c?this.invArg():d[0]=-2147483648;
return c},"JS.ScriptEval,~N,~B,~A");e(c$,"finalizeObject",function(a,b,c,d,g,k,h,e){g&&this.setShapeProperty(a,"set",k);-2147483648!=b&&this.e.setShapePropertyBs(a,"color",Integer.$valueOf(b),e);3.4028235E38!=c&&this.e.setShapeTranslucency(a,"","translucent",c,e);0!=d&&this.setShapeProperty(a,"scale",Integer.$valueOf(d));0<h&&(this.e.setMeshDisplayProperty(a,h,0)||this.invArg())},"~N,~N,~N,~N,~B,~O,~N,JU.BS");I("JS");L(["JS.ScriptExt"],"JS.IsoExt","java.lang.Boolean $.Float $.Short java.util.Hashtable JU.AU $.BS $.Lst $.M4 $.P3 $.PT $.Quat $.SB $.V3 J.api.Interface J.atomdata.RadiusData J.c.VDW JS.SV $.ScriptEval $.T JU.BSUtil $.BoxInfo $.C $.Escape $.Logger $.Parser $.TempArray".split(" "),
function(){c$=ua(JS,"IsoExt",JS.ScriptExt);N(c$,function(){W(this,JS.IsoExt,[])});j(c$,"dispatch",function(a,b,c){this.chk=this.e.chk;this.slen=this.e.slen;this.st=c;switch(a){case 23:this.cgo();break;case 25:this.contact();break;case 17:this.dipole();break;case 22:this.draw();break;case 24:case 30:case 29:this.isosurface(a);break;case 26:this.lcaoCartoon();break;case 27:case 28:this.mo(b,a)}return null},"~N,~B,~A");e(c$,"dipole",function(){var a=this.e,b=null,c=null,d=!1,g=!1,k=!1;a.sm.loadShape(17);
if(!(1073742001==this.tokAt(1)&&this.listIsosurface(17)))if(this.setShapeProperty(17,"init",null),1==this.slen)this.setShapeProperty(17,"thisID",null);else{for(var h=1;h<this.slen;++h){c=b=null;switch(this.getToken(h).tok){case 1073742327:b="all";break;case 1073742335:b="on";break;case 1073742334:b="off";break;case 12291:b="delete";break;case 2:case 3:b="value";c=Float.$valueOf(this.floatParameter(h));break;case 10:10==this.tokAt(h+1)?this.setShapeProperty(17,"startSet",this.atomExpressionAt(h++)):
b="atomBitset";case 1073742325:null==b&&(b=d||g?"endSet":"startSet");c=this.atomExpressionAt(h);h=a.iToken;0==this.tokAt(h+1)&&"startSet"===b&&(b="atomBitset");d=!0;break;case 1073742332:case 8:c=this.getPoint3f(h,!0);h=a.iToken;b=d||g?"endCoord":"startCoord";g=!0;break;case 1677721602:b="bonds";break;case 4102:b="calculate";if(10==this.tokAt(h+1)||1073742325==this.tokAt(h+1))c=this.atomExpressionAt(++h),h=a.iToken;break;case 1073741974:this.setShapeId(17,++h,k);h=a.iToken;break;case 1275069442:b=
"cross";c=Boolean.TRUE;break;case 1073742040:b="cross";c=Boolean.FALSE;break;case 1073742066:this.isFloatParameter(h+1)?(c=this.floatParameter(++h),2==a.theTok?(b="offsetPercent",c=Integer.$valueOf(y(c))):(b="offset",c=Float.$valueOf(c))):(b="offsetPt",c=this.centerParameter(++h),h=a.iToken);break;case 1073742068:b="offsetSide";c=Float.$valueOf(this.floatParameter(++h));break;case 1073742188:b="value";c=Float.$valueOf(this.floatParameter(++h));break;case 1073742196:b="width";c=Float.$valueOf(this.floatParameter(++h));
break;default:if(268435633==a.theTok||JS.T.tokAttr(a.theTok,1073741824)){this.setShapeId(17,h,k);h=a.iToken;break}this.invArg()}k=12291!=a.theTok&&4102!=a.theTok;null!=b&&this.setShapeProperty(17,b,c)}(g||d)&&this.setShapeProperty(17,"set",null)}});e(c$,"draw",function(){var a=this.e;a.sm.loadShape(22);switch(this.tokAt(1)){case 1073742001:if(this.listIsosurface(22))return!1;break;case 1073742102:var b=2,c=1073742138==this.tokAt(b)?"":a.optParameterAsString(b);c.equalsIgnoreCase("chemicalShift")?
c="cs":c.equalsIgnoreCase("polyhedra")&&(c=":poly");var d=1,g=0;0<c.length&&this.isFloatParameter(++b)&&(g=this.intParameter(b++));1073742138==this.tokAt(b)&&(d=this.floatParameter(++b));this.chk||a.runScript(this.vwr.ms.getPointGroupAsString(this.vwr.bsA(),!0,c,g,d));return!1;case 136314895:case 134221850:case 4138:return this.e.getCmdExt().dispatch(4133,!1,this.st),!1}for(var k=!1,h=!1,e=!1,m=!1,n=!1,f=0,s=3.4028235E38,u=t(-1,[-2147483648]),q=0,z="",j=0,d=null,c=this.initIsosurface(22),w=(b=null!=
c)&&null==this.getShapeProperty(22,"ID"),A=null,F=0,g=a.iToken;g<this.slen;++g){var C=null,D=null;switch(this.getToken(g).tok){case 1747587102:case 1678381065:if(this.chk)break;k=this.vwr.getPlaneIntersection(a.theTok,null,q/100,0);q=0;C="polygon";D=k;k=!0;break;case 4106:A=t(4,0);F=4;k=a.floatParameterSet(++g,4,4);g=a.iToken;for(b=0;4>b;b++)A[b]=y(k[b]);k=!0;break;case 1677721602:case 1140850689:if(null==A||F>(1228931587==a.theTok?2:3))F=0,A=t(-1,[-1,-1,-1,-1]);A[F++]=this.atomExpressionAt(++g).nextSetBit(0);
g=a.iToken;A[F++]=1677721602==a.theTok?this.atomExpressionAt(++g).nextSetBit(0):-1;g=a.iToken;k=!0;break;case 554176565:switch(this.getToken(++g).tok){case 1073742330:C="slab";D=a.objectNameParameter(++g);g=a.iToken;k=!0;break;default:this.invArg()}break;case 134219266:switch(this.getToken(++g).tok){case 1747587102:case 1678381065:f=a.theTok;m=!0;continue;case 1073742330:C="intersect";D=a.objectNameParameter(++g);g=a.iToken;k=m=!0;break;default:this.invArg()}break;case 134217751:case 1073742106:var E=
134217751==a.theTok,C="polygon",k=!0,D=new JU.Lst,V=0,H=0,I=null,O=null;if(a.isArrayParameter(++g))I=a.getPointArray(g,-1,!1),V=I.length;else{V=Math.max(0,this.intParameter(g));I=Array(V);for(b=0;b<V;b++)I[b]=this.centerParameter(++a.iToken);g=a.iToken}var K=null;switch(this.tokAt(g+1)){case 11:case 12:O=JS.SV.newT(this.getToken(++g)).toArray().getList();H=O.size();break;case 7:O=this.getToken(++g).getList();H=O.size();break;case 2:H=this.intParameter(++g);0>H&&(E=!0);break;default:!E&&!this.chk&&
(K=J.api.Interface.getInterface("JU.MeshCapper",this.vwr,"script").set(null).triangulatePolygon(I))}if(null==K&&!E){K=JU.AU.newInt2(H);for(b=0;b<H;b++)E=null==O?a.floatParameterSet(++a.iToken,3,4):JS.SV.flistValue(O.get(b),0),(3>E.length||4<E.length)&&this.invArg(),K[b]=t(-1,[y(E[0]),y(E[1]),y(E[2]),3==E.length?7:y(E[3])])}0<V?(D.addLast(I),D.addLast(K)):D=null;g=a.iToken;break;case 1296041474:h=null;e=0;m=null;switch(this.tokAt(++g)){case 4:h=this.stringParameter(g);break;case 12:h=JS.SV.sValue(this.getToken(g));
break;default:a.isCenterParameter(g)||(e=this.intParameter(g++));a.isCenterParameter(g)&&(d=this.centerParameter(g));a.isCenterParameter(a.iToken+1)&&(m=this.centerParameter(++a.iToken));if(this.chk)return!1;g=a.iToken}n=null;null==d&&g+1<this.slen&&(d=this.centerParameter(++g),n=10==this.tokAt(g)||1073742325==this.tokAt(g)?this.atomExpressionAt(g):null);a.checkLast(a.iToken);this.chk||(d=this.vwr.ms.getSymTemp(!1).getSymmetryInfoAtom(this.vwr.ms,n,h,e,d,m,c,135176),this.showString(d.substring(0,
d.indexOf("\n")+1)),a.runScript(0<d.length?d:'draw ID "sym_'+c+'*" delete'));return!1;case 4115:n=!0;continue;case 1073742332:case 9:case 8:if(9==a.theTok||!a.isPoint3f(g)){D=a.getPoint4f(g);if(n)return a.checkLast(a.iToken),this.chk||a.runScript(JU.Escape.drawQuat(JU.Quat.newP4(D),null==c?"frame":c," "+z,null==d?new JU.P3:d,q/100)),!1;C="planedef"}else D=d=this.getPoint3f(g,!0),C="coord";g=a.iToken;k=!0;break;case 134219265:case 134217750:if(!k&&!m&&0==f&&134219265!=a.theTok){C="plane";break}b=134217750==
a.theTok?a.planeParameter(g):a.hklParameter(++g);g=a.iToken;if(0!=f){if(this.chk)break;k=this.vwr.getPlaneIntersection(f,b,q/100,0);q=0;C="polygon";D=k}else D=b,C="planedef";k=!0;break;case 1073742E3:C="lineData";D=a.floatParameterSet(++g,0,2147483647);g=a.iToken;k=!0;break;case 10:case 1073742325:C="atomSet";D=this.atomExpressionAt(g);n&&(d=this.centerParameter(g));g=a.iToken;k=!0;break;case 7:C="modelBasedPoints";D=a.theToken.value;k=!0;break;case 1073742195:case 268435504:break;case 268435520:D=
a.xypParameter(g);if(null!=D){g=a.iToken;C="coord";k=!0;break}e&&this.invArg();e=!0;break;case 268435521:e||this.invArg();e=!1;break;case 1140850693:C="reverse";break;case 4:D=this.stringParameter(g);C="title";break;case 135198:C="vector";break;case 1140850691:D=Float.$valueOf(this.floatParameter(++g));C="length";break;case 3:D=Float.$valueOf(this.floatParameter(g));C="length";break;case 1094713359:C="modelIndex";D=Integer.$valueOf(this.intParameter(++g));break;case 2:e?(C="modelIndex",D=Integer.$valueOf(this.intParameter(g))):
q=this.intParameter(g);break;case 1073742138:++g>=this.slen&&this.error(34);switch(this.getToken(g).tok){case 2:q=this.intParameter(g);continue;case 3:q=Math.round(100*this.floatParameter(g));continue}this.error(34);break;case 1073741974:c=this.setShapeId(22,++g,b);w=null==this.getShapeProperty(22,"ID");g=a.iToken;break;case 1073742027:C="fixed";D=Boolean.FALSE;break;case 12293:C="fixed";D=Boolean.TRUE;break;case 1073742066:b=this.getPoint3f(++g,!0);g=a.iToken;C="offset";D=b;break;case 1073741906:C=
"crossed";break;case 1073742196:D=Float.$valueOf(this.floatParameter(++g));C="width";z=C+" "+D;break;case 1073741998:C="line";D=Boolean.TRUE;break;case 1073741908:C="curve";break;case 1073741840:C="arc";break;case 1073741846:C="arrow";break;case 1073741880:C="circle";break;case 1073741912:C="cylinder";break;case 1073742194:C="vertices";break;case 1073742048:C="nohead";break;case 1073741861:C="isbarb";break;case 1073742130:C="rotate45";break;case 1073742092:C="perp";break;case 1665140738:case 1073741917:z=
1665140738==a.theTok;E=this.floatParameter(++g);z&&(E*=2);D=Float.$valueOf(E);C=z||3==this.tokAt(g)?"width":"diameter";z=C+(3==this.tokAt(g)?" "+E:" "+y(E));break;case 1073742330:if(268435520==this.tokAt(g+2)||n){k=d=this.centerParameter(g);g=a.iToken;C="coord";D=k;k=!0;break}D=a.objectNameParameter(++g);C="identifier";k=!0;break;case 1765808134:case 603979967:case 1073742074:b=!0;s=this.getColorTrans(a,g,!1,u);g=a.iToken;continue;default:if(!a.setMeshDisplayProperty(22,0,a.theTok)){if(268435633==
a.theTok||JS.T.tokAttr(a.theTok,1073741824)){c=this.setShapeId(22,g,b);g=a.iToken;break}this.invArg()}0==j&&(j=g);g=a.iToken;continue}b=12291!=a.theTok;k&&(!h&&!n)&&(this.setShapeProperty(22,"points",Integer.$valueOf(q)),h=!0,q=0);k&&w&&this.invArg();null!=C&&this.setShapeProperty(22,C,D)}this.finalizeObject(22,u[0],s,q,k,A,j,null);return!0});e(c$,"mo",function(a,b){var c=this.e,d=2147483647,g=!1,k=null,h=this.vwr.getVisibleFramesBitSet(),e=new JU.Lst,m=1;if(1073877011==this.tokAt(0)&&1==this.e.slen)this.chk||
(c=new java.util.Hashtable,c.put("service","nbo"),c.put("action","showPanel"),this.vwr.sm.processService(c));else{if(1094717454==this.tokAt(1)||4115==this.tokAt(1))m=c.modelNumberParameter(2),0>m&&this.invArg(),h.clearAll(),h.set(m),m=3;c.sm.loadShape(b);for(var n=h.nextSetBit(0);0<=n;n=h.nextSetBit(n+1)){var f=m;if(1073742001==this.tokAt(f)&&this.listIsosurface(b))break;this.setShapeProperty(b,"init",Integer.$valueOf(n));var s=null,u=this.getShapeProperty(b,"moNumber").intValue(),q=this.getShapeProperty(b,
"moLinearCombination");if(a)break;0==u&&(u=2147483647);var z=null,j=null;switch(this.getToken(f).tok){case 1140850696:if(1073877010==b){this.mo(a,28);return}k=this.paramAsStr(++f).toUpperCase();break;case 1073741875:case 554176565:z=c.theToken.value;j=this.getCapSlabObject(f,!1);break;case 1073741914:z="squareLinear";j=Boolean.TRUE;q=w(-1,[1]);d=u=0;break;case 2:u=this.intParameter(f);q=this.moCombo(e);null==q&&0>u&&(q=w(-1,[-100,-u]));break;case 268435616:switch(this.tokAt(++f)){case 1073741973:case 1073742008:break;
default:this.invArg()}g=!0;case 1073741973:case 1073742008:2147483647==(d=this.moOffset(f))&&this.invArg();u=0;q=this.moCombo(e);break;case 1073742037:u=1073742037;q=this.moCombo(e);break;case 1073742108:u=1073742108;q=this.moCombo(e);break;case 1765808134:this.setColorOptions(null,f+1,b,2);break;case 134217750:z="plane";j=1073742333==this.tokAt(this.e.iToken=++f)?null:c.planeParameter(f);break;case 134217751:this.addShapeProperty(e,"randomSeed",2==this.tokAt(f+2)?Integer.$valueOf(this.intParameter(f+
2)):null);z="monteCarloCount";j=Integer.$valueOf(this.intParameter(f+1));break;case 1073742138:z="scale";j=Float.$valueOf(this.floatParameter(f+1));break;case 1073741910:268435617==this.tokAt(f+1)?(z="cutoffPositive",j=Float.$valueOf(this.floatParameter(f+2))):(z="cutoff",j=Float.$valueOf(this.floatParameter(f+1)));break;case 536870916:z="debug";break;case 1073742054:z="plane";break;case 1073742104:case 1073742122:z="resolution";j=Float.$valueOf(this.floatParameter(f+1));break;case 1073742156:z="squareData";
j=Boolean.TRUE;break;case 1073742168:f+1<this.slen&&4==this.tokAt(f+1)&&(z="titleFormat",j=this.paramAsStr(f+1));break;case 1073741824:this.invArg();break;default:if(c.isArrayParameter(f)){q=c.floatParameterSet(f,1,2147483647);1073742156==this.tokAt(c.iToken+1)&&(this.addShapeProperty(e,"squareLinear",Boolean.TRUE),c.iToken++);break}d=c.iToken;c.setMeshDisplayProperty(b,0,c.theTok)||this.invArg();this.setShapeProperty(b,"setProperties",e);c.setMeshDisplayProperty(b,d,this.tokAt(d));return}null!=z&&
this.addShapeProperty(e,z,j);f=2147483647!=u||null!=q;if(this.chk)break;if(null!=k||f)f&&4==this.tokAt(c.iToken+1)&&(s=this.paramAsStr(++c.iToken)),c.setCursorWait(!0),this.setMoData(e,u,q,d,g,n,s,k),f&&this.addShapeProperty(e,"finalize",null);0<e.size()&&this.setShapeProperty(b,"setProperties",e);e.clear()}}},"~B,~N");e(c$,"setNBOType",function(a,b){var c=";AO;  ;PNAO;;NAO; ;PNHO;;NHO; ;PNBO;;NBO; ;PNLMO;NLMO;;MO;  ;NO;".indexOf(";"+b+";");0>c&&this.invArg();var c=F(c/6)+31,d=a.get("nboLabels");
null==d&&this.error(27);if(!this.chk)try{var g=a.get(b+"_coefs");if(null==g){var k=a.get("nboRoot")+"."+c,h=this.vwr.getFileAsString3(k,!0,null);null==h&&this.error(27);for(var g=a.get("mos"),e=g.get(0).get("dfCoefMaps"),m=g.size(),g=new JU.Lst,c=m;0<=--c;){var f=new java.util.Hashtable;g.addLast(f);f.put("dfCoefMaps",e)}J.api.Interface.getInterface("J.quantum.QS",this.vwr,"script").setNboLabels(d,m,g,0,b);for(var h=h.substring(h.lastIndexOf("--")+2),p=h.length,s=t(1,0),c=0;c<m;c++){var f=g.get(c),
u=w(m,0);f.put("coefficients",u);for(var q=0;q<m;q++)u[q]=JU.PT.parseFloatChecked(h,p,s,!1)}if(b.equals("NBO")){for(var z=w(m,0),q=0;q<m;q++)z[q]=JU.PT.parseFloatChecked(h,p,s,!1);for(c=0;c<m;c++)f=g.get(c),f.put("occupancy",Float.$valueOf(z[c]))}a.put(b+"_coefs",g)}a.put("nboType",b);a.put("mos",g)}catch(j){if(T(j,Exception))this.error(27);else throw j;}},"java.util.Map,~S");e(c$,"moCombo",function(a){if(1073742156!=this.tokAt(this.e.iToken+1))return null;this.addShapeProperty(a,"squareLinear",Boolean.TRUE);
this.e.iToken++;return w(0,0)},"JU.Lst");e(c$,"moOffset",function(a){var b=1073741973==this.getToken(a).tok?0:1,c=this.tokAt(++a);2==c&&0>this.intParameter(a)?b+=this.intParameter(a):268435617==c?b+=this.intParameter(++a):268435616==c&&(b-=this.intParameter(++a));return b},"~N");e(c$,"setMoData",function(a,b,c,d,g,k,h,e){var m=this.e;0>k&&(k=this.vwr.am.cmi,0>k&&m.errorStr(30,"MO isosurfaces"));k=this.vwr.ms.getInfo(k,"moData");null==k&&this.error(27);this.vwr.checkMenuUpdate();if(null!=e&&(this.setNBOType(k,
e),null==c&&2147483647==b))return;var f=null,p,s,u=0;if(null==c||2>c.length){null!=c&&1==c.length&&(d=0);e=k.containsKey("lastMoNumber")?k.get("lastMoNumber").intValue():0;f=k.containsKey("lastMoCount")?k.get("lastMoCount").intValue():1;1073742108==b?b=e-1:1073742037==b&&(b=e+f);f=k.get("mos");u=null==f?0:f.size();0==u&&this.error(25);1==u&&1<b&&this.error(29);if(2147483647!=d){if(k.containsKey("HOMO"))b=k.get("HOMO").intValue()+d;else{b=-1;for(e=0;e<u;e++)if(p=f.get(e),null!=(s=p.get("occupancy"))){if(0.5>
s.floatValue()){b=e;break}}else if(null!=(s=p.get("energy"))){if(0<s.floatValue()){b=e;break}}else break;0>b&&this.error(28);b+=d}JU.Logger.info("MO "+b)}(1>b||b>u)&&m.errorStr(26,""+u)}b=Math.abs(b);k.put("lastMoNumber",Integer.$valueOf(b));k.put("lastMoCount",Integer.$valueOf(1));g&&null==c&&(c=w(-1,[-100,b]));if(null!=c&&2>c.length){p=f.get(b-1);if(null==(s=p.get("energy")))c=w(-1,[100,b]);else{m=s.floatValue();d=JU.BS.newN(u);g=0;c=1==c.length&&1==c[0];for(e=0;e<u;e++)if(null!=(s=f.get(e).get("energy")))if(s=
s.floatValue(),c?s<=m:s==m)d.set(e+1),g+=2;c=w(g,0);for(f=e=0;e<g;e+=2)c[e]=1,c[e+1]=f=d.nextSetBit(f+1);k.put("lastMoNumber",Integer.$valueOf(d.nextSetBit(0)));k.put("lastMoCount",Integer.$valueOf(F(g/2)))}this.addShapeProperty(a,"squareLinear",Boolean.TRUE)}this.addShapeProperty(a,"moData",k);null!=h&&this.addShapeProperty(a,"title",h);this.addShapeProperty(a,"molecularOrbital",null!=c?c:Integer.$valueOf(Math.abs(b)));this.addShapeProperty(a,"clear",null)},"JU.Lst,~N,~A,~N,~B,~N,~S,~S");e(c$,"isosurface",
function(a){var b=this.e;b.sm.loadShape(a);if(!(1073742001==this.tokAt(1)&&this.listIsosurface(a))){var c=0,d=!1,g=24==a,k=29==a,h=30==a,e=26==a,m=!1,f=!1,p=!1,s=!1,u=!1,q=!1,j=!1,$a=!1,Da=!1,F=!1,I=!1,C=!1,D=!1,E=!1,V=null,H=null,K=-2147483648,O,G,L,N,X,Q=NaN,aa=NaN,$=0,W=null,fa=2147483647,P=null,R=null,ca=null,r=new JU.SB,M,ga=null,ma=null,na=!1,wa,ha=0,da=null,S=this.chk?0:-2147483648;b.setCursorWait(!0);var sa=null!=this.initIsosurface(a),oa=sa&&null==this.getShapeProperty(a,"ID"),va=!1,ua=!1,
Ea=null,ab=null,ia=null,bb=null,Aa=null,Fa=null,B=new JU.Lst,pb=!1;(k||h)&&this.addShapeProperty(B,"fileType","Pmesh");for(var l=b.iToken;l<this.slen;++l){var x=null,v=null;this.getToken(l);1073741824==b.theTok&&(da=this.paramAsStr(l));switch(b.theTok){case 603979870:W=1073742335==this.getToken(++l).tok?Boolean.TRUE:1073742334==b.theTok?Boolean.FALSE:null;null==W&&this.invArg();continue;case 553648149:fa=this.intParameter(++l);continue;case 4128:x="moveIsosurface";12!=this.tokAt(++l)&&this.invArg();
v=this.getToken(l++).value;break;case 1296041474:for(var qb=this.floatArraySet(l+2,this.intParameter(l+1),16),Aa=Array(qb.length),ja=Aa.length;0<=--ja;)Aa[ja]=JU.M4.newA16(qb[ja]);l=b.iToken;break;case 1088421903:0>S&&(S=Math.min(this.vwr.am.cmi,0));var rb=null==ca;null==R&&(R=JU.BSUtil.copy(this.vwr.bsA()));R.and(this.vwr.ms.getAtoms(1296041474,Integer.$valueOf(1)));rb||R.andNot(ca);this.addShapeProperty(B,"select",R);rb&&(ca=JU.BSUtil.copy(R),JU.BSUtil.invertInPlace(ca,this.vwr.ms.ac),E=!0,this.addShapeProperty(B,
"ignore",ca),r.append(" ignore ").append(JU.Escape.eBS(ca)));r.append(" symmetry");0==ha&&this.addShapeProperty(B,"colorRGB",Integer.$valueOf(1296041474));Aa=this.vwr.ms.getSymMatrices(S);break;case 1073742066:x="offset";v=this.centerParameter(++l);l=b.iToken;break;case 528432:x="rotate";v=1073742333==this.tokAt(b.iToken=++l)?null:b.getPoint4f(l);l=b.iToken;break;case 1610612740:x="scale3d";v=Float.$valueOf(this.floatParameter(++l));break;case 1073742090:r.append(" periodic");x="periodic";break;case 1073742078:case 266298:case 134217751:x=
b.theToken.value.toString();r.append(" ").appendO(b.theToken.value);v=this.centerParameter(++l);r.append(" ").append(JU.Escape.eP(v));l=b.iToken;break;case 1678381065:if(0<=b.fullCommand.indexOf("# BBOX=")){var sb=JU.PT.split(JU.PT.getQuotedAttribute(b.fullCommand,"# BBOX"),",");wa=A(-1,[JU.Escape.uP(sb[0]),JU.Escape.uP(sb[1])])}else b.isCenterParameter(l+1)?(wa=A(-1,[this.getPoint3f(l+1,!0),this.getPoint3f(b.iToken+1,!0)]),l=b.iToken):wa=this.vwr.ms.getBBoxVertices();r.append(" boundBox "+JU.Escape.eP(wa[0])+
" "+JU.Escape.eP(wa[wa.length-1]));x="boundingBox";v=wa;break;case 135188:k=!0;r.append(" pmesh");x="fileType";v="Pmesh";break;case 134219266:R=this.atomExpressionAt(++l);this.chk?P=new JU.BS:1073742325==this.tokAt(b.iToken+1)||10==this.tokAt(b.iToken+1)?(P=this.atomExpressionAt(++b.iToken),P.and(this.vwr.ms.getAtomsWithinRadius(5,R,!1,null))):(P=this.vwr.ms.getAtomsWithinRadius(5,R,!0,null),P.andNot(this.vwr.ms.getAtoms(1094713360,R)));P.andNot(R);r.append(" intersection ").append(JU.Escape.eBS(R)).append(" ").append(JU.Escape.eBS(P));
l=b.iToken;if(134320141==this.tokAt(l+1)){l++;var Ga=this.getToken(++l).value;r.append(" function ").append(JU.PT.esc(Ga));this.chk||this.addShapeProperty(B,"func",Ga.equals("a+b")||Ga.equals("a-b")?Ga:this.createFunction("__iso__","a,b",Ga))}else D=!0;x="intersection";v=A(-1,[R,P]);break;case 1610625028:case 134217759:if(d=1610625028==b.theTok){r.append(" display");var c=l,pa=this.tokAt(l+1);if(0==pa)continue;l++;this.addShapeProperty(B,"token",Integer.$valueOf(1073742335));if(10==pa||1073742327==
pa){x="bsDisplay";1073742327==pa?r.append(" all"):(v=this.st[l].value,r.append(" ").append(JU.Escape.eBS(v)));b.checkLast(l);break}else 134217759!=pa&&(b.iToken=l,this.invArg())}else $=l;var Oa,xa=null,P=null,Pa=Array(1);1073742325==this.tokAt(l+1)?(Oa=this.floatParameter(l+3),b.isPoint3f(l+4)?(xa=b.centerParameter(l+4,null),b.iToken+=2):b.isPoint3f(l+5)?(xa=b.centerParameter(l+5,null),b.iToken+=2):(P=b.atomExpression(this.st,l+5,this.slen,!0,!1,Pa,!0),null==P&&this.invArg())):(Oa=this.floatParameter(++l),
xa=b.centerParameter(++l,Pa),P=U(Pa[0],JU.BS)?Pa[0]:null);d&&b.checkLast(b.iToken);l=b.iToken;0<=b.fullCommand.indexOf("# WITHIN=")&&(P=JU.BS.unescape(JU.PT.getQuotedAttribute(b.fullCommand,"# WITHIN")));this.chk||(null!=P&&0<=S&&P.and(this.vwr.getModelUndeletedAtomsBitSet(S)),null==xa&&(xa=null==P?new JU.P3:this.vwr.ms.getAtomSetCenter(P)),this.getWithinDistanceVector(B,Oa,xa,P,d),r.append(" within ").appendF(Oa).append(" ").append(null==P?JU.Escape.eP(xa):JU.Escape.eBS(P)));continue;case 1073742083:var x=
"parameters",tb=b.floatParameterSet(++l,1,10),l=b.iToken,v=tb;r.append(" parameters ").append(JU.Escape.eAF(tb));break;case 1715472409:case 1073742190:var Ea=b.theToken.value,Wa=1073742190==b.theTok,Ha=this.tokAt(l+1);null==bb?(!m&&(!p&&!f)&&(this.addShapeProperty(B,"sasurface",Float.$valueOf(0)),r.append(" vdw"),m=!0),x="property",null==W&&(W=JS.T.tokAttr(Ha,1111490560)&&1==this.vwr.getIsosurfacePropertySmoothing(!1)?Boolean.TRUE:Boolean.FALSE),this.addShapeProperty(B,"propertySmoothing",W),r.append(" isosurfacePropertySmoothing "+
W),W===Boolean.TRUE&&(2147483647==fa&&(fa=this.vwr.getIsosurfacePropertySmoothing(!0)),this.addShapeProperty(B,"propertySmoothingPower",Integer.$valueOf(fa)),r.append(" isosurfacePropertySmoothingPower "+fa)),this.vwr.g.rangeSelected&&this.addShapeProperty(B,"rangeSelected",Boolean.TRUE)):x=bb;da=this.paramAsStr(l);r.append(" ").append(da);if(0==da.toLowerCase().indexOf("property_")){V=w(this.vwr.ms.ac,0);if(this.chk)continue;V=this.vwr.getDataObj(da,null,1);null==V&&this.invArg();this.addShapeProperty(B,
x,V);continue}var Ia=this.vwr.ms.ac,V=w(Ia,0);if(Wa){var ub=this.paramAsStr(++l);0==ub.length?V=b.floatParameterSet(l,Ia,Ia):(V=w(Ia,0),this.chk||JU.Parser.parseStringInfestedFloatArray(""+b.getParameter(ub,4,!0),null,V));this.chk||r.append(' "" ').append(JU.Escape.eAF(V))}else{this.getToken(++l);if(!this.chk){r.append(" "+b.theToken.value);var Xa=this.vwr.ms.at;this.vwr.autoCalculate(Ha);if(1765808134!=Ha){M=new JU.P3;for(var cb=Ia;0<=--cb;)V[cb]=Xa[cb].atomPropertyFloat(this.vwr,Ha,M)}}1765808134==
Ha&&(ia="inherit");if(134217759==this.tokAt(l+1)){var vb=this.floatParameter(l+=2);r.append(" within "+vb);this.addShapeProperty(B,"propertyDistanceMax",Float.$valueOf(vb))}}v=V;break;case 1094713359:case 1094717454:m&&this.invArg();S=1094713359==b.theTok?this.intParameter(++l):b.modelNumberParameter(++l);r.append(" modelIndex "+S);if(0>S){x="fixed";v=Boolean.TRUE;break}x="modelIndex";v=Integer.$valueOf(S);break;case 1275082245:var x="select",db=this.atomExpressionAt(++l),v=db,l=b.iToken;1073742072==
this.tokAt(l+1)&&(l++,ca=JU.BSUtil.copy(db),JU.BSUtil.invertInPlace(ca,this.vwr.ms.ac),this.addShapeProperty(B,"ignore",ca),r.append(" ignore ").append(JU.Escape.eBS(ca)),E=!0);m||p?r.append(" select "+JU.Escape.eBS(db)):(R=v,0>S&&0<=R.nextSetBit(0)&&(S=this.vwr.ms.at[R.nextSetBit(0)].mi));break;case 36867:K=this.intParameter(++l);break;case 12289:x="center";v=this.centerParameter(++l);r.append(" center "+JU.Escape.eP(v));l=b.iToken;break;case 1073742147:case 1765808134:var sa=!0,eb=1073742147==b.theTok;
if(eb)r.append(" sign"),this.addShapeProperty(B,"sign",Boolean.TRUE);else{if(1073741914==this.tokAt(l+1)){l++;x="colorDensity";r.append(" color density");if(this.isFloatParameter(l+1)){var wb=this.floatParameter(++l);r.append(" "+wb);v=Float.$valueOf(wb)}break}if(4==this.getToken(l+1).tok)ia=this.paramAsStr(++l),0<ia.indexOf(" ")&&(Fa=JU.C.getColixArray(ia),null==Fa&&this.error(4));else if(1073742018==b.theTok){l++;r.append(" color mesh");ha=b.getArgbParam(++l);this.addShapeProperty(B,"meshcolor",
Integer.$valueOf(ha));r.append(" ").append(JU.Escape.escapeColor(ha));l=b.iToken;continue}if(603979967==(b.theTok=this.tokAt(l+1))||1073742074==b.theTok){r.append(" color");ab=this.setColorOptions(r,l+1,24,-2);l=b.iToken;continue}switch(this.tokAt(l+1)){case 1073741826:case 1073742114:this.getToken(++l);r.append(" color range");this.addShapeProperty(B,"rangeAll",null);if(1073742327==this.tokAt(l+1)){l++;r.append(" all");continue}var xb=this.floatParameter(++l),yb=this.floatParameter(++l);this.addShapeProperty(B,
"red",Float.$valueOf(xb));this.addShapeProperty(B,"blue",Float.$valueOf(yb));r.append(" ").appendF(xb).append(" ").appendF(yb);continue}if(b.isColorParam(l+1)&&(ha=b.getArgbParam(l+1),1073742170==this.tokAt(l+2))){ia=b.getColorRange(l+1);l=b.iToken;break}r.append(" color")}b.isColorParam(l+1)?(ha=b.getArgbParam(++l),r.append(" ").append(JU.Escape.escapeColor(ha)),l=b.iToken,this.addShapeProperty(B,"colorRGB",Integer.$valueOf(ha)),sa=!0,b.isColorParam(l+1)?(ha=b.getArgbParam(++l),l=b.iToken,this.addShapeProperty(B,
"colorRGB",Integer.$valueOf(ha)),r.append(" ").append(JU.Escape.escapeColor(ha)),s=!0):eb&&this.invPO()):!eb&&null==Fa&&this.invPO();continue;case 134221829:g||this.invArg();F=!this.chk;continue;case 1228935687:4!=this.tokAt(l+1)&&this.invPO();continue;case 1111492618:case 1648363544:r.append(" ").appendO(b.theToken.value);var Ja=b.encodeRadiusParameter(l,!1,!0);if(null==Ja)return;r.append(" ").appendO(Ja);Float.isNaN(Ja.value)&&(Ja.value=100);v=Ja;x="radius";Da=!0;p&&(m=!1);l=b.iToken;break;case 134217750:f=
!0;x="plane";v=b.planeParameter(l);l=b.iToken;r.append(" plane ").append(JU.Escape.eP4(v));break;case 1073742138:x="scale";v=Float.$valueOf(this.floatParameter(++l));r.append(" scale ").appendO(v);break;case 1073742327:sa&&this.invArg();x="thisID";break;case 1112150020:m=!0;++l;v=b.getPoint4f(l);x="ellipsoid";l=b.iToken;r.append(" ellipsoid ").append(JU.Escape.eP4(v));break;case 134219265:f=!0;x="plane";v=b.hklParameter(++l);l=b.iToken;r.append(" plane ").append(JU.Escape.eP4(v));break;case 135182:var m=
!0,Qa=this.paramAsStr(++l);this.addShapeProperty(B,"lcaoType",Qa);r.append(" lcaocartoon ").append(JU.PT.esc(Qa));switch(this.getToken(++l).tok){case 10:case 1073742325:x="lcaoCartoon";P=this.atomExpressionAt(l);l=b.iToken;if(this.chk)continue;var Ka=P.nextSetBit(0);0>Ka&&this.error(14);r.append(" ({").appendI(Ka).append("})");S=this.vwr.ms.at[Ka].mi;this.addShapeProperty(B,"modelIndex",Integer.$valueOf(S));var fb=A(-1,[new JU.V3,new JU.V3,JU.V3.newV(this.vwr.ms.at[Ka]),new JU.V3]);if(!Qa.equalsIgnoreCase("s")&&
null==this.vwr.getHybridizationAndAxes(Ka,fb[0],fb[1],Qa))return;v=fb;break;default:this.error(14)}break;case 1073877010:var La=2147483647,Ba=2147483647,gb=268435616==this.tokAt(l+1);gb&&l++;var Ma=null;switch(this.tokAt(++l)){case 0:b.bad();break;case 1073741914:r.append("mo [1] squared ");this.addShapeProperty(B,"squareLinear",Boolean.TRUE);Ma=w(-1,[1]);Ba=La=0;l++;break;case 1073741973:case 1073742008:Ba=this.moOffset(l);La=0;l=b.iToken;r.append(" mo "+(gb?"-":"")+"HOMO ");0<Ba&&r.append("+");
0!=Ba&&r.appendI(Ba);break;case 2:La=this.intParameter(l);r.append(" mo ").appendI(La);break;default:b.isArrayParameter(l)&&(Ma=b.floatParameterSet(l,1,2147483647),l=b.iToken)}if(1073742156==this.tokAt(l+1))this.addShapeProperty(B,"squareLinear",Boolean.TRUE),r.append(" squared"),null==Ma&&(Ma=w(0,0));else if(134217751==this.tokAt(l+1)){++l;var zb=this.intParameter(++l),Ab=2==this.tokAt(l+1)?this.intParameter(++l):-System.currentTimeMillis()%1E4;this.addShapeProperty(B,"monteCarloCount",Integer.$valueOf(zb));
this.addShapeProperty(B,"randomSeed",Integer.$valueOf(Ab));r.append(" points ").appendI(zb).appendC(" ").appendI(Ab)}this.setMoData(B,La,Ma,Ba,gb,S,null,null);m=!0;continue;case 1073742036:x="nci";r.append(" "+x);var pa=this.tokAt(l+1),Bb=1228935687!=pa&&4!=pa&&1073742033!=pa,v=Boolean.$valueOf(Bb);Bb&&(m=!0);break;case 1073742016:case 1073742022:var Cb=1073742016==b.theTok,x=Cb?"mep":"mlp";r.append(" "+x);var Ra=null,hb=-1,m=!0;2==this.tokAt(l+1)&&(hb=this.intParameter(++l),r.append(" "+hb),this.addShapeProperty(B,
"mepCalcType",Integer.$valueOf(hb)));if(4==this.tokAt(l+1))Ra=this.stringParameter(++l),r.append(" /*file*/"+JU.PT.esc(Ra));else if(1715472409==this.tokAt(l+1)){bb=x;continue}if(!this.chk)try{V=null==Ra&&Cb?this.vwr.getPartialCharges():this.getAtomicPotentials(R,ca,Ra)}catch(Db){if(!T(Db,Exception))throw Db;}!this.chk&&null==V&&this.error(32);v=V;break;case 1312817669:j=!this.chk;r.append(" volume");break;case 1073741974:this.setShapeId(a,++l,sa);oa=null==this.getShapeProperty(a,"ID");l=b.iToken;
break;case 1073741888:603979967==this.tokAt(l+1)&&(va=!0,l++);ia=this.paramAsStr(++l).toLowerCase();ia.equals("sets")?r.append(' colorScheme "sets"'):b.isColorParam(l)&&(ia=b.getColorRange(l),l=b.iToken);break;case 1073741828:x="addHydrogens";v=Boolean.TRUE;r.append(" mp.addHydrogens");break;case 1073741836:x="angstroms";r.append(" angstroms");break;case 1073741837:x="anisotropy";v=this.getPoint3f(++l,!1);r.append(" anisotropy").append(JU.Escape.eP(v));l=b.iToken;break;case 1073741842:q=!this.chk;
r.append(" area");break;case 1073741850:case 1073742076:m=!0;s&&!u&&(r.append(' phase "_orb"'),this.addShapeProperty(B,"phase","_orb"));var Z=w(7,0);Z[0]=this.intParameter(++l);Z[1]=this.intParameter(++l);Z[2]=this.intParameter(++l);Z[3]=this.isFloatParameter(l+1)?this.floatParameter(++l):6;r.append(" atomicOrbital ").appendI(y(Z[0])).append(" ").appendI(y(Z[1])).append(" ").appendI(y(Z[2])).append(" ").appendF(Z[3]);134217751==this.tokAt(l+1)&&(l+=2,Z[4]=this.intParameter(l),Z[5]=3==this.tokAt(l+
1)?this.floatParameter(++l):0,Z[6]=2==this.tokAt(l+1)?this.intParameter(++l):-System.currentTimeMillis()%1E4,r.append(" points ").appendI(y(Z[4])).appendC(" ").appendF(Z[5]).appendC(" ").appendI(y(Z[6])));x="hydrogenOrbital";v=Z;break;case 1073741866:r.append(" binary");continue;case 1073741868:r.append(" blockData");x="blockData";v=Boolean.TRUE;break;case 1073741875:case 554176565:C=!0;x=b.theToken.value;v=this.getCapSlabObject(l,!1);l=b.iToken;break;case 1073741876:g||this.invArg();var $a=!0,Eb=
this.isFloatParameter(l+1)?this.floatParameter(++l):1.2,ib=this.isFloatParameter(l+1)?this.floatParameter(++l):10;if(this.chk)continue;if(10<ib){b.integerOutOfRange(0,10);return}r.append(" cavity ").appendF(Eb).append(" ").appendF(ib);this.addShapeProperty(B,"envelopeRadius",Float.$valueOf(ib));this.addShapeProperty(B,"cavityRadius",Float.$valueOf(Eb));x="cavity";break;case 1073741896:case 1073741900:x="contour";r.append(" contour");switch(this.tokAt(l+1)){case 1073741920:v=b.floatParameterSet(l+
2,1,2147483647);r.append(" discrete ").append(JU.Escape.eAF(v));l=b.iToken;break;case 1073741981:M=this.getPoint3f(l+2,!1);(0>=M.z||M.y<M.x)&&this.invArg();M.z==y(M.z)&&M.z>M.y-M.x&&(M.z=(M.y-M.x)/M.z);v=M;l=b.iToken;r.append(" increment ").append(JU.Escape.eP(M));break;default:v=Integer.$valueOf(2==this.tokAt(l+1)?this.intParameter(++l):0),r.append(" ").appendO(v),2==this.tokAt(l+1)&&(this.addShapeProperty(B,x,v),v=Integer.$valueOf(-Math.abs(this.intParameter(++l))),r.append(" ").appendO(v))}break;
case 1073741910:r.append(" cutoff ");268435617==this.tokAt(++l)?(x="cutoffPositive",v=Float.$valueOf(aa=this.floatParameter(++l)),r.append("+").appendO(v)):this.isFloatParameter(l)?(x="cutoff",v=Float.$valueOf(aa=this.floatParameter(l)),r.appendO(v)):(x="cutoffRange",v=b.floatParameterSet(l,2,2),this.addShapeProperty(B,"cutoff",Float.$valueOf(0)),r.append(JU.Escape.eAF(v)),l=b.iToken);break;case 1073741928:x="downsample";v=Integer.$valueOf(this.intParameter(++l));r.append(" downsample ").appendO(v);
break;case 1073741931:x="eccentricity";v=b.getPoint4f(++l);r.append(" eccentricity ").append(JU.Escape.eP4(v));l=b.iToken;break;case 1073741932:r.append(" ed");this.setMoData(B,-1,null,0,!1,S,null,null);m=!0;continue;case 536870916:case 1073742041:r.append(" ").appendO(b.theToken.value);x="debug";v=536870916==b.theTok?Boolean.TRUE:Boolean.FALSE;break;case 12293:r.append(" fixed");x="fixed";v=Boolean.TRUE;break;case 1073741962:r.append(" fullPlane");x="fullPlane";v=Boolean.TRUE;break;case 1073741966:case 1073741968:var Ya=
1073741968==b.theTok,x=""+b.theToken.value,qa=new JU.Lst,v=qa,I=m=!0;r.append(" ").append(x);var ba=this.paramAsStr(++l);if(ba.equals("=")){r.append(" =");ba=this.paramAsStr(++l);r.append(" ").append(JU.PT.esc(ba));qa.addLast(ba);this.chk||this.addShapeProperty(B,"func",this.createFunction("__iso__","x,y,z",ba));break}var jb=JU.PT.getQuotedAttribute(b.fullCommand,"# DATA"+(I?"2":""));null==jb?jb="inline":ba=jb;var Fb=0==ba.indexOf("data2d_"),Za=0==ba.indexOf("data3d_"),ua=ba.equals("inline");r.append(" inline");
qa.addLast(ba);var Gb=this.getPoint3f(++l,!1);r.append(" ").append(JU.Escape.eP(Gb));qa.addLast(Gb);var ra;N=++b.iToken;qa.addLast(ra=b.getPoint4f(N));r.append(" ").append(JU.Escape.eP4(ra));O=y(ra.x);X=++b.iToken;qa.addLast(ra=b.getPoint4f(X));r.append(" ").append(JU.Escape.eP4(ra));G=y(ra.x);qa.addLast(ra=b.getPoint4f(++b.iToken));r.append(" ").append(JU.Escape.eP4(ra));L=y(ra.x);(0==O||0==G||0==L)&&this.invArg();if(!this.chk){var ea=null,ka=null;if(Ya){ua?(O=Math.abs(O),G=Math.abs(G),L=Math.abs(L),
ka=this.floatArraySetXYZ(++b.iToken,O,G,L)):ka=Za?this.vwr.getDataObj(ba,null,3):this.vwr.functionXYZ(ba,O,G,L);O=Math.abs(O);G=Math.abs(G);L=Math.abs(L);null==ka&&(b.iToken=N,b.errorStr(53,"xyzdata is null."));if(ka.length!=O||ka[0].length!=G||ka[0][0].length!=L)b.iToken=N,b.errorStr(53,"xyzdata["+ka.length+"]["+ka[0].length+"]["+ka[0][0].length+"] is not of size ["+O+"]["+G+"]["+L+"]");qa.addLast(ka);r.append(" ").append(JU.Escape.e(ka))}else{ua?(O=Math.abs(O),G=Math.abs(G),ea=this.floatArraySet(++b.iToken,
O,G)):Fb?(ea=this.vwr.getDataObj(ba,null,2),O=null==ea?0:ea.length,G=3):(ea=this.vwr.functionXY(ba,O,G),O=Math.abs(O),G=Math.abs(G));null==ea&&(b.iToken=N,b.errorStr(53,"fdata is null."));ea.length!=O&&!Fb&&(b.iToken=N,b.errorStr(53,"fdata length is not correct: "+ea.length+" "+O+"."));for(ja=0;ja<O;ja++)null==ea[ja]&&(b.iToken=X,b.errorStr(53,"fdata["+ja+"] is null.")),ea[ja].length!=G&&(b.iToken=X,b.errorStr(53,"fdata["+ja+"] is not the right length: "+ea[ja].length+" "+G+"."));qa.addLast(ea);r.append(" ").append(JU.Escape.e(ea))}}l=
b.iToken;break;case 1073741970:x="gridPoints";r.append(" gridPoints");break;case 1073741976:x="ignore";v=ca=this.atomExpressionAt(++l);r.append(" ignore ").append(JU.Escape.eBS(ca));l=b.iToken;break;case 1073741984:x="insideOut";r.append(" insideout");break;case 1073741988:case 1073741986:case 1073742100:r.append(" ").appendO(b.theToken.value);x="pocket";v=1073742100==b.theTok?Boolean.TRUE:Boolean.FALSE;break;case 1073742002:x="lobe";v=b.getPoint4f(++l);l=b.iToken;r.append(" lobe ").append(JU.Escape.eP4(v));
m=!0;break;case 1073742004:case 1073742006:x="lp";v=b.getPoint4f(++l);l=b.iToken;r.append(" lp ").append(JU.Escape.eP4(v));m=!0;break;case 4125:(p||this.slen==l+1)&&this.invArg();p=!0;if(($a||Da||D)&&!m)m=!0,this.addShapeProperty(B,"bsSolvent",Da||D?new JU.BS:b.lookupIdentifierValue("solvent")),this.addShapeProperty(B,"sasurface",Float.$valueOf(0));0==r.length()?(ga=this.getShapeProperty(24,"plane"),null==ga?null!=this.getShapeProperty(24,"contours")&&this.addShapeProperty(B,"nocontour",null):(this.addShapeProperty(B,
"plane",ga),r.append("plane ").append(JU.Escape.eP4(ga)),f=!0,ga=null)):!m&&!f&&this.invArg();r.append("; isosurface map");this.addShapeProperty(B,"map",m?Boolean.TRUE:Boolean.FALSE);break;case 1073742014:x="maxset";v=Integer.$valueOf(this.intParameter(++l));r.append(" maxSet ").appendO(v);break;case 1073742020:x="minset";v=Integer.$valueOf(this.intParameter(++l));r.append(" minSet ").appendO(v);break;case 1073742112:m=!0;x="rad";v=b.getPoint4f(++l);l=b.iToken;r.append(" radical ").append(JU.Escape.eP4(v));
break;case 1073742027:x="fixed";v=Boolean.FALSE;r.append(" modelBased");break;case 1073742028:case 1073742135:case 1612709912:var Ea=b.theToken.value,Sa;1073742028==b.theTok?(x="molecular",r.append(" molecular"),Sa=this.isFloatParameter(l+1)?this.floatParameter(++l):1.4):(this.addShapeProperty(B,"bsSolvent",b.lookupIdentifierValue("solvent")),x=1073742135==b.theTok?"sasurface":"solvent",r.append(" ").appendO(b.theToken.value),Sa=this.isFloatParameter(l+1)?this.floatParameter(++l):this.vwr.getFloat(570425394));
r.append(" ").appendF(Sa);v=Float.$valueOf(Sa);1073741961==this.tokAt(l+1)&&(this.addShapeProperty(B,"doFullMolecular",null),r.append(" full"),l++);m=!0;break;case 1073742033:this.addShapeProperty(B,"fileType","Mrc");r.append(" mrc");continue;case 1073742064:case 1073742062:this.addShapeProperty(B,"fileType","Obj");r.append(" obj");continue;case 1073742034:this.addShapeProperty(B,"fileType","Msms");r.append(" msms");continue;case 1073742094:m&&this.invArg();x="phase";u=!0;v=4==this.tokAt(l+1)?this.stringParameter(++l):
"_orb";r.append(" phase ").append(JU.PT.esc(v));break;case 1073742104:case 1073742122:x="resolution";v=Float.$valueOf(this.floatParameter(++l));r.append(" resolution ").appendO(v);break;case 1073742124:x="reverseColor";v=Boolean.TRUE;r.append(" reversecolor");break;case 1073742127:case 1073742146:x="sigma";v=Float.$valueOf(Q=this.floatParameter(++l));r.append(" sigma ").appendO(v);break;case 1112150021:x="geodesic";v=Float.$valueOf(this.floatParameter(++l));r.append(" geosurface ").appendO(v);m=!0;
break;case 1073742154:x="sphere";v=Float.$valueOf(this.floatParameter(++l));r.append(" sphere ").appendO(v);m=!0;break;case 1073742156:x="squareData";v=Boolean.TRUE;r.append(" squared");break;case 1073741983:x=!m&&!f&&!p?"readFile":"mapColor";da=this.stringParameter(++l);null==da&&this.invArg();k&&(da=JU.PT.replaceWithCharacter(da,"{,}|"," "));b.debugHigh&&JU.Logger.debug("pmesh inline data:\n"+da);v=this.chk?null:da;this.addShapeProperty(B,"fileName","");r.append(" INLINE ").append(JU.PT.esc(da));
m=!0;break;case 4:var Ta=!m&&!f,x=Ta&&!p?"readFile":"mapColor",Y=this.paramAsStr(l);if(Y.startsWith("=")&&1<Y.length){var kb=this.vwr.setLoadFormat(Y,"_",!1),Y=kb[0],lb=!Ta||!Float.isNaN(aa)?null:kb[1],Hb=kb[2];if(null!=lb&&!this.chk){var aa=NaN,Ib=null==Hb?"MAP_SIGMA_DENS":"DIFF_SIGMA_DENS";try{var Ua=this.vwr.getFileAsString3(lb,!1,null);JU.Logger.info(Ua);Ua=JU.PT.split(Ua,Ib)[1];aa=JU.PT.parseFloat(Ua)}catch(Jb){if(T(Jb,Exception))JU.Logger.error(Ib+" -- could  not read "+lb);else throw Jb;}0<
aa&&(null!=Hb&&(Float.isNaN(Q)&&(Q=3),this.addShapeProperty(B,"sign",Boolean.TRUE)),this.showString("using cutoff = "+aa+(Float.isNaN(Q)?"":" sigma="+Q)),Float.isNaN(Q)||(aa*=Q,Q=NaN,this.addShapeProperty(B,"sigma",Float.$valueOf(Q))),this.addShapeProperty(B,"cutoff",Float.$valueOf(aa)),r.append(" cutoff ").appendF(aa))}0==$&&(Ea="=xxxx",0>S&&(S=this.vwr.am.cmi),P=this.vwr.getModelUndeletedAtomsBitSet(S),0<=P.nextSetBit(0)&&(this.getWithinDistanceVector(B,2,null,P,!1),r.append(" within 2.0 ").append(JU.Escape.eBS(P))));
Ta&&(pb=!0)}Ta&&(this.vwr.getP("_fileType").equals("Pdb")&&Float.isNaN(Q)&&Float.isNaN(aa))&&(this.addShapeProperty(B,"sigma",Float.$valueOf(-1)),r.append(" sigma -1.0"));0==Y.length&&(0>S&&(S=this.vwr.am.cmi),Y=b.getFullPathName(),v=this.vwr.ms.getInfo(S,"jmolSurfaceInfo"));var mb=-1;null==v&&2==this.tokAt(l+1)&&this.addShapeProperty(B,"fileIndex",Integer.$valueOf(mb=this.intParameter(++l)));var Na=4==this.tokAt(l+1)?this.stringParameter(++l):null,m=!0;if(this.chk)break;var Ca,ta=null;null==v&&(0<=
b.fullCommand.indexOf("# FILE0=")?(Y=JU.PT.getQuotedAttribute(b.fullCommand,"# FILE0"),1073741848==this.tokAt(l+1)&&(l+=2)):1073741848==this.tokAt(l+1)&&(ta=this.vwr.fm.getFilePath(this.stringParameter(b.iToken=l+=2),!1,!1),Ca=this.vwr.getFullPathNameOrError(ta),ta=Ca[0],""!==this.vwr.fm.getPathForAllFiles()?(Y=ta,ta=null):this.addShapeProperty(B,"localName",ta)));!Y.startsWith("cache://")&&null==Na&&(Ca=this.vwr.getFullPathNameOrError(Y),Y=Ca[0],null!=Ca[1]&&b.errorStr(17,Y+":"+Ca[1]));this.showString("reading isosurface data from "+
Y);null!=Na&&(v=this.vwr.fm.cacheGet(Y,!1),this.addShapeProperty(B,"calculationType",Na));null==v&&(this.addShapeProperty(B,"fileName",Y),null!=ta&&(Y=ta),0<=mb&&r.append(" ").appendI(mb));r.append(" /*file*/").append(JU.PT.esc(Y));null!=Na&&r.append(" ").append(JU.PT.esc(Na));break;case 4106:x="connections";switch(this.tokAt(++l)){case 10:case 1073742325:v=t(-1,[this.atomExpressionAt(l).nextSetBit(0)]);break;default:v=t(-1,[y(b.floatParameterSet(l,1,1)[0])])}l=b.iToken;break;case 1094713347:x="atomIndex";
v=Integer.$valueOf(this.intParameter(++l));break;case 1073741999:x="link";r.append(" link");break;case 1747587102:24!=a&&this.invArg();268435617==this.tokAt(l+1)&&l++;x="extendGrid";v=Float.$valueOf(this.floatParameter(++l));r.append(" unitcell "+v);break;case 1073741994:24!=a&&this.invArg();M=this.getPoint3f(++l,!1);l=b.iToken;if(0>=M.x||0>=M.y||0>=M.z)break;M.x=y(M.x);M.y=y(M.y);M.z=y(M.z);r.append(" lattice ").append(JU.Escape.eP(M));p?(x="mapLattice",v=M):(ma=M,12293==this.tokAt(l+1)&&(r.append(" fixed"),
na=!0,l++));break;default:1073741824==b.theTok&&(x="thisID",v=da);if(!b.setMeshDisplayProperty(a,0,b.theTok)){if(JS.T.tokAttr(b.theTok,1073741824)&&!sa){this.setShapeId(a,l,sa);l=b.iToken;break}this.invArg()}0==c&&(c=l);l=this.slen-1}sa=12291!=b.theTok;oa&&m&&this.invArg();null!=x&&this.addShapeProperty(B,x,v)}if(!this.chk){if(($a||Da)&&!m)m=!0,this.addShapeProperty(B,"bsSolvent",Da?new JU.BS:b.lookupIdentifierValue("solvent")),this.addShapeProperty(B,"sasurface",Float.$valueOf(0));f&&(!m&&!p)&&(this.addShapeProperty(B,
"nomap",Float.$valueOf(0)),m=!0);-1<=K&&this.addShapeProperty(B,"getSurfaceSets",Integer.$valueOf(K-1));if(null!=Fa)this.addShapeProperty(B,"colorDiscrete",Fa);else if("sets".equals(ia))this.addShapeProperty(B,"setColorScheme",null);else if(null!=ia){var Va=this.vwr.cm.getColorEncoder(ia);null!=Va&&(Va.isTranslucent=va,Va.hi=3.4028235E38,this.addShapeProperty(B,"remapColor",Va))}if(m&&!e&&0!=r.indexOf(";")){B.add(0,A(-1,["newObject",null]));var Kb=null==R;Kb&&(R=JU.BSUtil.copy(this.vwr.bsA()));0>
S&&(S=this.vwr.am.cmi);R.and(this.vwr.getModelUndeletedAtomsBitSet(S));null!=Ea&&(1<this.vwr.ms.getModelBS(R,!1).cardinality()&&b.errorStr(30,"ISOSURFACE "+Ea),Kb&&(B.add(0,A(-1,["select",R])),0==r.indexOf("; isosurface map")&&(r=(new JU.SB).append("; isosurface map select ").append(JU.Escape.eBS(R)).append(r.substring(16)))))}D&&!C&&(m||this.addShapeProperty(B,"sasurface",Float.$valueOf(0)),p||(this.addShapeProperty(B,"map",Boolean.TRUE),this.addShapeProperty(B,"select",P),this.addShapeProperty(B,
"sasurface",Float.$valueOf(0))),this.addShapeProperty(B,"slab",this.getCapSlabObject(-100,!1)));var Lb=m&&this.vwr.getBoolean(603979934);Lb&&JU.Logger.startTimer("isosurface");this.setShapeProperty(a,"setProperties",B);Lb&&this.showString(JU.Logger.getTimerMsg("isosurface",0));pb&&(this.setShapeProperty(a,"token",Integer.$valueOf(1073742018)),this.setShapeProperty(a,"token",Integer.$valueOf(1073742046)),E=!0,r.append(" mesh nofill frontOnly"))}null!=ma&&(this.setShapeProperty(a,"lattice",ma),na&&
this.setShapeProperty(a,"fixLattice",Boolean.TRUE));null!=Aa&&this.setShapeProperty(a,"symops",Aa);E&&this.setShapeProperty(a,"token",Integer.$valueOf(1073741960));0<c&&(b.setMeshDisplayProperty(a,c,0)||this.invArg());if(!this.chk){var ya=null,za=null;q&&(ya=this.getShapeProperty(a,"area"),U(ya,Float)?this.vwr.setFloatProperty("isosurfaceArea",ya.floatValue()):this.vwr.g.setUserVariable("isosurfaceArea",JS.SV.getVariableAD(ya)));j&&(za=j?this.getShapeProperty(a,"volume"):null,U(za,Float)?this.vwr.setFloatProperty("isosurfaceVolume",
za.floatValue()):this.vwr.g.setUserVariable("isosurfaceVolume",JS.SV.getVariableAD(za)));if(!e){var la=null;p&&!m?this.setShapeProperty(a,"finalize",r.toString()):m&&(H=r.toString(),this.setShapeProperty(a,"finalize",(0==H.indexOf("; isosurface map")?"":" select "+JU.Escape.eBS(R)+" ")+H),la=this.getShapeProperty(a,"ID"),null!=la&&!b.tQuiet&&(aa=this.getShapeProperty(a,"cutoff").floatValue(),Float.isNaN(aa)&&!Float.isNaN(Q)&&JU.Logger.error("sigma not supported"),la+=" created "+this.getShapeProperty(a,
"message")));var nb,ob;if(q||j)nb=q?"isosurfaceArea = "+(U(ya,Float)?""+ya:JU.Escape.eAD(ya)):null,ob=j?"isosurfaceVolume = "+(U(za,Float)?""+za:JU.Escape.eAD(za)):null,null==la?(q&&this.showString(nb),j&&this.showString(ob)):(q&&(la+="\n"+nb),j&&(la+="\n"+ob));null!=la&&this.showString(la)}null!=ab&&this.setShapeProperty(a,"translucency",ab);this.setShapeProperty(a,"clear",null);F&&this.setShapeProperty(a,"cache",null);26!=a&&(!d&&!C)&&this.listIsosurface(a)}}},"~N");e(c$,"lcaoCartoon",function(){var a=
this.e;a.sm.loadShape(26);if(!(1073742001==a.tokAt(1)&&this.listIsosurface(26)))if(this.setShapeProperty(26,"init",a.fullCommand),1==this.slen)this.setShapeProperty(26,"lcaoID",null);else{for(var b=!1,c=null,c=1;c<this.slen;c++){var d=null,g=null;switch(this.getToken(c).tok){case 1073741875:case 554176565:d=a.theToken.value;1073742334==this.tokAt(c+1)&&(a.iToken=c+1);g=this.getCapSlabObject(c,!0);c=a.iToken;break;case 12289:this.isosurface(26);return;case 528432:var k=g=0,h=0;switch(this.getToken(++c).tok){case 1111492629:g=
0.017453292*this.floatParameter(++c);break;case 1111492630:k=0.017453292*this.floatParameter(++c);break;case 1111492631:h=0.017453292*this.floatParameter(++c);break;default:this.invArg()}d="rotationAxis";g=JU.V3.new3(g,k,h);break;case 1073742335:case 1610625028:case 2097192:d="on";break;case 1073742334:case 12294:case 2097194:d="off";break;case 12291:d="delete";break;case 10:case 1073742325:d="select";g=this.atomExpressionAt(c);c=a.iToken;break;case 1765808134:c=this.setColorOptions(null,c+1,26,-2);
null!=c&&this.setShapeProperty(26,"settranslucency",c);c=a.iToken;b=!0;continue;case 603979967:case 1073742074:a.setMeshDisplayProperty(26,c,a.theTok);c=a.iToken;b=!0;continue;case 1112152075:case 4:g=this.paramAsStr(c).toLowerCase();g.equals("spacefill")&&(g="cpk");d="create";a.optParameterAsString(c+1).equalsIgnoreCase("molecular")&&(c++,d="molecular");break;case 1275082245:10==this.tokAt(c+1)||1073742325==this.tokAt(c+1)?(d="select",g=this.atomExpressionAt(c+1),c=a.iToken):(d="selectType",g=this.paramAsStr(++c),
g.equals("spacefill")&&(g="cpk"));break;case 1073742138:d="scale";g=Float.$valueOf(this.floatParameter(++c));break;case 1073742004:case 1073742006:d="lonePair";break;case 1073742112:case 1073742111:d="radical";break;case 1073742028:d="molecular";break;case 1073741904:g=this.paramAsStr(++c);d="create";a.optParameterAsString(c+1).equalsIgnoreCase("molecular")&&(c++,d="molecular");break;case 1073741974:g=a.setShapeNameParameter(++c);c=a.iToken;b&&this.invArg();d="lcaoID";break;default:if(268435633==
a.theTok||JS.T.tokAttr(a.theTok,1073741824))268435633!=a.theTok&&(g=this.paramAsStr(c)),b&&this.invArg(),d="lcaoID"}12291!=a.theTok&&(b=!0);null==d&&this.invArg();this.setShapeProperty(26,d,g)}this.setShapeProperty(26,"clear",null)}});e(c$,"contact",function(){var a=this.e;a.sm.loadShape(25);if(1073742001==this.tokAt(1)&&this.listIsosurface(25))return!1;var b=0;a.iToken=1;for(var c=null!=this.initIsosurface(25),d=c&&null==this.getShapeProperty(25,"ID"),g=null,k=null,h=null,e=null,m=null,f=!1,p=new JU.SB,
s=2147483647,u=134217750,q=0,j=NaN,t=NaN,G=!0,y=null,I=null,C=0,D=!1,E=-2147483648,K=1<a.iToken,H=a.iToken;H<this.slen;++H){switch(h=this.getToken(H).tok){default:K=!0;if(!a.setMeshDisplayProperty(25,0,a.theTok)){268435633!=a.theTok&&!JS.T.tokAttr(a.theTok,1073741824)&&this.invArg();this.setShapeId(25,H,c);H=a.iToken;break}0==b&&(b=H);H=a.iToken;continue;case 1073741974:K=!0;this.setShapeId(25,++H,c);d=null==this.getShapeProperty(25,"ID");H=a.iToken;break;case 1765808134:switch(this.tokAt(H+1)){case 1073741914:h=
0;f=!0;p.append(" color density");H++;break;case 1140850696:h=0,D=!0,p.append(" color type"),H++}if(0==h)break;case 603979967:case 1073742074:K=!0;0==C&&(C=H);a.setMeshDisplayProperty(25,H,a.theTok);H=a.iToken;break;case 554176565:K=!0;I=this.getCapSlabObject(H,!1);this.setShapeProperty(25,"slab",I);H=a.iToken;break;case 1073741914:f=!0;p.append(" density");this.isFloatParameter(H+1)&&(null==m&&(m=w(1,0)),m[0]=-Math.abs(this.floatParameter(++H)),p.append(" "+-m[0]));break;case 1073742122:c=this.floatParameter(++H);
0<c&&(p.append(" resolution ").appendF(c),this.setShapeProperty(25,"resolution",Float.$valueOf(c)));break;case 1094717454:case 1094713359:E=1094713359==a.theTok?this.intParameter(++H):a.modelNumberParameter(++H);p.append(" modelIndex "+E);break;case 134217759:case 1275069443:j=this.floatParameter(++H);p.append(" within ").appendF(j);break;case 268435617:case 2:case 3:e=a.encodeRadiusParameter(H,!1,!1);if(null==e)return!1;p.append(" ").appendO(e);H=a.iToken;break;case 1073741990:case 1073741989:y=
1073741989==h?Boolean.TRUE:Boolean.FALSE;p.append(" ").appendO(a.theToken.value);break;case 1073742020:s=this.intParameter(++H);break;case 1613238294:case 1073741881:case 1648363544:q=h;p.append(" ").appendO(a.theToken.value);break;case 1073742135:this.isFloatParameter(H+1)&&(t=this.floatParameter(++H));case 1073741875:case 1073742036:case 2097180:G=!1;case 1275068932:case 1073741961:case 134217750:case 4106:u=h;p.append(" ").appendO(a.theToken.value);1073742135==h&&p.append(" ").appendF(t);break;
case 1073742083:m=a.floatParameterSet(++H,1,10);H=a.iToken;break;case 10:case 1073742325:(d||null!=k)&&this.invArg(),h=JU.BSUtil.copy(this.atomExpressionAt(H)),H=a.iToken,null==g?g=h:k=h,p.append(" ").append(JU.Escape.eBS(h))}c=12291!=a.theTok}!K&&null==g&&this.error(13);if(this.chk)return!1;if(null!=g){1648363544==q&&null==e&&(e=new J.atomdata.RadiusData(null,0,J.atomdata.RadiusData.EnumType.OFFSET,J.c.VDW.AUTO));H=null==e?new J.atomdata.RadiusData(null,0.26,J.atomdata.RadiusData.EnumType.OFFSET,
J.c.VDW.AUTO):e;k=1073742036==u&&null==k&&null!=y&&y.booleanValue()?g:a.getMathExt().setContactBitSets(g,k,G,j,H,!0);switch(u){case 1073741875:case 1073742135:H=a.lookupIdentifierValue("solvent");g.andNot(H);k.andNot(H);k.andNot(g);break;case 2097180:k.andNot(g);break;case 1073742036:2147483647==s&&(s=100),this.setShapeProperty(25,"minset",Integer.$valueOf(s)),p.append(" minSet ").appendI(s),null==m&&(m=w(-1,[0.5,2]))}null!=y&&(m=null==m?w(2,0):JU.AU.ensureLengthA(m,2),m[1]=y.booleanValue()?1:2);
null!=m&&p.append(" parameters ").append(JU.Escape.eAF(m));this.setShapeProperty(25,"set",A(-1,[Integer.$valueOf(q),Integer.$valueOf(u),Boolean.$valueOf(f),Boolean.$valueOf(D),g,k,e,Float.$valueOf(t),m,Integer.$valueOf(E),p.toString()]));0<C&&a.setMeshDisplayProperty(25,C,0)}0<b&&(a.setMeshDisplayProperty(25,b,0)||this.invArg());null!=I&&null!=g&&this.setShapeProperty(25,"slab",I);if(null!=g&&(1073742036==u||G)){g=this.getShapeProperty(25,"volume");b=1073741961==u;if(JU.AU.isAD(g))for(H=a=0;H<g.length;H++)a+=
b?g[H]:Math.abs(g[H]);else a=g.floatValue();a=Math.round(1E3*a)/1E3;if(f||1275068932!=u)f=this.getShapeProperty(25,"nSets").intValue(),f="Contacts: "+(0>f?F(-f/2):f),0!=a&&(f+=", with "+(b?"approx ":"net ")+"volume "+a+" A^3"),this.showString(f)}return!0});e(c$,"cgo",function(){var a=this.e;a.sm.loadShape(23);if(1073742001==this.tokAt(1)&&this.listIsosurface(23))return!1;for(var b=0,c=null!=this.initIsosurface(23),d=c&&null==this.getShapeProperty(23,"ID"),g=!1,k=null,h=3.4028235E38,e=t(-1,[-2147483648]),
m=0,f=a.iToken;f<this.slen;++f){var p=null,s=null;switch(this.getToken(f).tok){case 268435520:case 1073742195:case 7:(null!=k||d)&&this.invArg();k=new JU.Lst;f=t(-1,[f,this.slen]);a.getShapePropertyData(23,"data",A(-1,[this.st,f,k,this.vwr]))||this.invArg();f=f[0];continue;case 1073742138:++f>=this.slen&&this.error(34);switch(this.getToken(f).tok){case 2:m=this.intParameter(f);continue;case 3:m=Math.round(100*this.floatParameter(f));continue}this.error(34);break;case 1765808134:case 603979967:case 1073742074:h=
this.getColorTrans(a,f,!1,e);f=a.iToken;c=!0;continue;case 1073741974:this.setShapeId(23,++f,c);d=null==this.getShapeProperty(23,"ID");f=a.iToken;break;default:if(!a.setMeshDisplayProperty(23,0,a.theTok)){if(268435633==a.theTok||JS.T.tokAttr(a.theTok,1073741824)){this.setShapeId(23,f,c);f=a.iToken;break}this.invArg()}0==b&&(b=f);f=a.iToken;continue}c=12291!=a.theTok;null!=k&&!g&&(p="points",s=Integer.$valueOf(m),g=!0,m=0);null!=p&&this.setShapeProperty(23,p,s)}this.finalizeObject(23,e[0],h,m,null!=
k,k,b,null);return!0});e(c$,"getAtomicPotentials",function(a,b,c){var d=w(this.vwr.ms.ac,0),g=J.api.Interface.getOption("quantum.MlpCalculation",this.vwr,"script");g.set(this.vwr);c=null==c?null:this.vwr.getFileAsString3(c,!1,null);g.assignPotentials(this.vwr.ms.at,d,this.vwr.getSmartsMatch("a",a),this.vwr.getSmartsMatch("/noAromatic/[$(C=O),$(O=C),$(NC=O)]",a),b,c);return d},"JU.BS,JU.BS,~S");e(c$,"getCapSlabObject",function(a,b){if(0>a)return JU.TempArray.getSlabWithinRange(a,0);var c=this.e,d=
null,g=554176565==this.tokAt(a),k=this.tokAt(a+1),h=null,e=h=null,f=null,n=null;if(603979967==k)switch(f=this.isFloatParameter(++a+1)?this.floatParameter(++a):0.5,c.isColorParam(a+1)?(f=Short.$valueOf(JU.C.getColixTranslucent3(JU.C.getColix(c.getArgbParam(a+1)),0!=f,f)),a=c.iToken):f=Short.$valueOf(JU.C.getColixTranslucent3(1,0!=f,f)),k=this.tokAt(a+1)){case 1073742018:case 1073741938:n=Integer.$valueOf(k);k=this.tokAt(++a+1);break;default:n=Integer.$valueOf(1073741938)}switch(k){case 1073742334:return c.iToken=
a+1,Integer.$valueOf(-2147483648);case 1073742333:c.iToken=a+1;break;case 1073742330:a++;d=A(-1,[Float.$valueOf(1),this.paramAsStr(++a)]);k=1073742018;break;case 134217759:a++;if(1073742114==this.tokAt(++a))d=this.floatParameter(++a),k=this.floatParameter(++a),d=A(-1,[Float.$valueOf(d),Float.$valueOf(k)]),k=1073742114;else if(this.isFloatParameter(a)){d=this.floatParameter(a);if(c.isCenterParameter(++a)){var h=Array(1),p=c.centerParameter(a,h);if(this.chk||!U(h[0],JU.BS))h=A(-1,[p]);else for(var p=
this.vwr.ms.at,e=h[0],h=Array(e.cardinality()),s=0,u=e.nextSetBit(0);0<=u;u=e.nextSetBit(u+1),s++)h[s]=p[u]}else h=c.getPointArray(a,-1,!1);0==h.length&&(c.iToken=a,this.invArg());d=A(-1,[Float.$valueOf(d),h,e])}else d=c.getPointArray(a,4,!1),k=1678381065;break;case 1678381065:c.iToken=a+1;d=JU.BoxInfo.getUnitCellPoints(this.vwr.ms.getBBoxVertices(),null);break;case 1073741872:case 1747587102:c.iToken=a+1;c=this.vwr.getCurrentUnitCell();if(null==c)1747587102==k&&this.invArg();else{h=JU.BoxInfo.getUnitCellPoints(c.getUnitCellVerticesNoOffset(),
c.getCartesianOffset());c=y(c.getUnitCellInfoType(6));d=e=null;switch(c){case 1:d=JU.V3.newVsub(h[2],h[0]),d.scale(1E3);case 2:e=JU.V3.newVsub(h[1],h[0]),e.scale(1E3),h[0].sub(e),h[1].scale(2E3),1==c&&(h[0].sub(d),h[2].scale(2E3))}d=h}break;case 10:case 1073742325:if(d=this.atomExpressionAt(a+1),k=3,!c.isCenterParameter(++c.iToken)){g=!0;break}default:if(!b&&g&&this.isFloatParameter(a+1)){d=this.floatParameter(++a);if(!this.isFloatParameter(a+1))return Integer.$valueOf(y(d));k=this.floatParameter(++a);
d=A(-1,[Float.$valueOf(d),Float.$valueOf(k)]);k=1073742114;break}h=c.planeParameter(++a);k=this.isFloatParameter(c.iToken+1)?this.floatParameter(++c.iToken):NaN;Float.isNaN(k)||(h.w-=k);d=h;k=134217750}f=null==n?null:A(-1,[n,f]);return JU.TempArray.getSlabObjectType(k,d,!g,f)},"~N,~B");e(c$,"setColorOptions",function(a,b,c,d){var g=this.e;this.getToken(b);var k="opaque";if(603979967==g.theTok)if(k="translucent",0>d){var h=this.isFloatParameter(b+1)?this.floatParameter(++b):3.4028235E38;g.setShapeTranslucency(c,
null,"translucent",h,null);null!=a&&(a.append(" translucent"),3.4028235E38!=h&&a.append(" ").appendF(h))}else g.setMeshDisplayProperty(c,b,g.theTok);else 1073742074==g.theTok?0<=d&&g.setMeshDisplayProperty(c,b,g.theTok):g.iToken--;d=Math.abs(d);for(h=0;h<d;h++)if(g.isColorParam(g.iToken+1)){var e=g.getArgbParam(++g.iToken);this.setShapeProperty(c,"colorRGB",Integer.$valueOf(e));null!=a&&a.append(" ").append(JU.Escape.escapeColor(e))}else if(g.iToken<b)this.invArg();else break;return k},"JU.SB,~N,~N,~N");
e(c$,"createFunction",function(a,b,c){var d=(new JS.ScriptEval).setViewer(this.vwr);try{d.compileScript(null,"function "+a+"("+b+") { return "+c+"}",!1);var g=new JU.Lst;for(a=0;a<b.length;a+=2)g.addLast(JS.SV.newV(3,Float.$valueOf(0)).setName(b.substring(a,a+1)));return A(-1,[d.aatoken[0][1].value,g])}catch(k){if(T(k,Exception))return null;throw k;}},"~S,~S,~S");e(c$,"getWithinDistanceVector",function(a,b,c,d,g){var k=new JU.Lst,h=Array(2);if(null==d){var e=JU.P3.new3(b,b,b),f=JU.P3.newP(c);f.sub(e);
e.add(c);h[0]=f;h[1]=e;k.addLast(c)}else c=this.vwr.ms.getBoxInfo(d,-Math.abs(b)),h[0]=c.getBoundBoxVertices()[0],h[1]=c.getBoundBoxVertices()[7],1==d.cardinality()&&k.addLast(this.vwr.ms.at[d.nextSetBit(0)]);1==k.size()&&!g&&(this.addShapeProperty(a,"withinDistance",Float.$valueOf(b)),this.addShapeProperty(a,"withinPoint",k.get(0)));this.addShapeProperty(a,g?"displayWithin":"withinPoints",A(-1,[Float.$valueOf(b),h,d,k]))},"JU.Lst,~N,JU.P3,JU.BS,~B");e(c$,"addShapeProperty",function(a,b,c){this.chk||
a.addLast(A(-1,[b,c]))},"JU.Lst,~S,~O");e(c$,"floatArraySetXYZ",function(a,b,c,d){var g=this.e,k=this.tokAt(a++);1073742195==k&&(k=this.tokAt(a++));(268435520!=k||0>=b)&&this.invArg();for(var h=JU.AU.newFloat3(b,-1),e=0;268435521!=k;)switch(k=this.getToken(a).tok,k){case 1073742195:case 268435521:continue;case 268435504:a++;break;case 268435520:h[e++]=this.floatArraySet(a,c,d);a=++g.iToken;k=0;e==b&&268435521!=this.tokAt(a)&&this.invArg();break;default:this.invArg()}return h},"~N,~N,~N,~N");e(c$,
"floatArraySet",function(a,b,c){var d=this.tokAt(a++);1073742195==d&&(d=this.tokAt(a++));268435520!=d&&this.invArg();for(var g=JU.AU.newFloat2(b),k=0;268435521!=d;)switch(d=this.getToken(a).tok,d){case 1073742195:case 268435521:continue;case 268435504:a++;break;case 268435520:a++;d=w(c,0);g[k++]=d;for(var h=0;h<c;h++)d[h]=this.floatParameter(a++),268435504==this.tokAt(a)&&a++;268435521!=this.tokAt(a++)&&this.invArg();d=0;k==b&&268435521!=this.tokAt(a)&&this.invArg();break;default:this.invArg()}return g},
"~N,~N,~N");e(c$,"initIsosurface",function(a){var b=this.e;this.setShapeProperty(a,"init",b.fullCommand);b.iToken=0;var c=this.tokAt(1),d=this.tokAt(2);if(12291==c||12291==d&&1073742327==this.tokAt(++b.iToken))return this.setShapeProperty(a,"delete",null),b.iToken+=2,this.slen>b.iToken&&(this.setShapeProperty(a,"init",b.fullCommand),this.setShapeProperty(a,"thisID","+PREVIOUS_MESH+")),null;b.iToken=1;return!b.setMeshDisplayProperty(a,0,c)&&(this.setShapeProperty(a,"thisID","+PREVIOUS_MESH+"),22!=
a&&this.setShapeProperty(a,"title",A(-1,[b.thisCommand])),1073741974!=c&&(268435633==d||268435633==c&&b.setMeshDisplayProperty(a,0,d)))?(a=this.setShapeId(a,1,!1),b.iToken++,a):null},"~N");e(c$,"listIsosurface",function(a){var b=3<this.slen?"0":0==this.tokAt(2)?"":" "+this.getToken(2).value;this.chk||this.showString(this.getShapeProperty(a,"list"+b));return!0},"~N")});I("JU");va(JU,"Triangulator");I("JU");L(["JU.Triangulator","JU.P3i"],"JU.TriangleData",["JU.AU","$.BS","$.P3","JU.BSUtil"],function(){c$=
ua(JU,"TriangleData",null,JU.Triangulator);j(c$,"intersectPlane",function(a,b,c){if(null==a)return b.addLast(JU.TriangleData.fullCubePolygon),b;var d=b.get(0);0!=c&&b.clear();for(var g=w(8,0),k=Array(12),h=0,e=0;8>e;e++)g[e]=a.x*d[e].x+a.y*d[e].y+a.z*d[e].z+a.w,0>g[e]&&(h|=JU.TriangleData.Pwr2[e]);a=JU.TriangleData.triangleTable2[h];if(null==a)return null;for(e=0;24>e;e+=2){var h=JU.TriangleData.edgeVertexes[e],f=JU.TriangleData.edgeVertexes[e+1],n=JU.P3.newP(d[f]);n.sub(d[h]);n.scale(g[h]/(g[h]-
g[f]));n.add(d[h]);k[e>>1]=n}if(0==c){c=new JU.BS;b.clear();for(e=0;e<a.length;e++)c.set(a[e]),2==e%4&&e++;e=JU.BSUtil.cardinalityOf(c);g=Array(e);b.addLast(g);d=t(12,0);for(e=h=0;e<a.length;e++)f=a[e],c.get(f)&&(c.clear(f),g[h]=k[f],d[f]=h++),2==e%4&&e++;k=JU.AU.newInt2(a.length>>2);b.addLast(k);for(e=0;e<a.length;e++)k[e>>2]=t(-1,[d[a[e++]],d[a[e++]],d[a[e++]],a[e]]);return b}for(e=0;e<a.length;e++)d=k[a[e++]],g=k[a[e++]],h=k[a[e++]],1==(c&1)&&b.addLast(A(-1,[d,g,h])),2==(c&2)&&(f=a[e],1==(f&1)&&
b.addLast(A(-1,[d,g])),2==(f&2)&&b.addLast(A(-1,[g,h])),4==(f&4)&&b.addLast(A(-1,[d,h])));return b},"JU.P4,JU.Lst,~N");X(c$,"Pwr2",t(-1,[1,2,4,8,16,32,64,128,256,512,1024,2048]),"fullCubePolygon",A(-1,[t(-1,[0,4,5,3]),t(-1,[5,1,0,3]),t(-1,[1,5,6,2]),t(-1,[6,2,1,3]),t(-1,[2,6,7,2]),t(-1,[7,3,2,3]),t(-1,[3,7,4,2]),t(-1,[4,0,3,2]),t(-1,[6,5,4,0]),t(-1,[4,7,6,0]),t(-1,[0,1,2,0]),t(-1,[2,3,0,0])]));c$.cubeVertexOffsets=c$.prototype.cubeVertexOffsets=A(-1,[JU.P3i.new3(0,0,0),JU.P3i.new3(1,0,0),JU.P3i.new3(1,
0,1),JU.P3i.new3(0,0,1),JU.P3i.new3(0,1,0),JU.P3i.new3(1,1,0),JU.P3i.new3(1,1,1),JU.P3i.new3(0,1,1)]);X(c$,"edgeVertexes",f(-1,[0,1,1,2,2,3,3,0,4,5,5,6,6,7,7,4,0,4,1,5,2,6,3,7]),"triangleTable2",A(-1,[null,f(-1,[0,8,3,7]),f(-1,[0,1,9,7]),f(-1,[1,8,3,6,9,8,1,5]),f(-1,[1,2,10,7]),f(-1,[0,8,3,7,1,2,10,7]),f(-1,[9,2,10,6,0,2,9,5]),f(-1,[2,8,3,6,2,10,8,1,10,9,8,3]),f(-1,[3,11,2,7]),f(-1,[0,11,2,6,8,11,0,5]),f(-1,[1,9,0,7,2,3,11,7]),f(-1,[1,11,2,6,1,9,11,1,9,8,11,3]),f(-1,[3,10,1,6,11,10,3,5]),f(-1,[0,
10,1,6,0,8,10,1,8,11,10,3]),f(-1,[3,9,0,6,3,11,9,1,11,10,9,3]),f(-1,[9,8,10,5,10,8,11,6]),f(-1,[4,7,8,7]),f(-1,[4,3,0,6,7,3,4,5]),f(-1,[0,1,9,7,8,4,7,7]),f(-1,[4,1,9,6,4,7,1,1,7,3,1,3]),f(-1,[1,2,10,7,8,4,7,7]),f(-1,[3,4,7,6,3,0,4,3,1,2,10,7]),f(-1,[9,2,10,6,9,0,2,3,8,4,7,7]),f(-1,[2,10,9,3,2,9,7,0,2,7,3,6,7,9,4,6]),f(-1,[8,4,7,7,3,11,2,7]),f(-1,[11,4,7,6,11,2,4,1,2,0,4,3]),f(-1,[9,0,1,7,8,4,7,7,2,3,11,7]),f(-1,[4,7,11,3,9,4,11,1,9,11,2,2,9,2,1,6]),f(-1,[3,10,1,6,3,11,10,3,7,8,4,7]),f(-1,[1,11,10,
6,1,4,11,0,1,0,4,3,7,11,4,5]),f(-1,[4,7,8,7,9,0,11,1,9,11,10,6,11,0,3,6]),f(-1,[4,7,11,3,4,11,9,4,9,11,10,6]),f(-1,[9,5,4,7]),f(-1,[9,5,4,7,0,8,3,7]),f(-1,[0,5,4,6,1,5,0,5]),f(-1,[8,5,4,6,8,3,5,1,3,1,5,3]),f(-1,[1,2,10,7,9,5,4,7]),f(-1,[3,0,8,7,1,2,10,7,4,9,5,7]),f(-1,[5,2,10,6,5,4,2,1,4,0,2,3]),f(-1,[2,10,5,3,3,2,5,1,3,5,4,2,3,4,8,6]),f(-1,[9,5,4,7,2,3,11,7]),f(-1,[0,11,2,6,0,8,11,3,4,9,5,7]),f(-1,[0,5,4,6,0,1,5,3,2,3,11,7]),f(-1,[2,1,5,3,2,5,8,0,2,8,11,6,4,8,5,5]),f(-1,[10,3,11,6,10,1,3,3,9,5,4,
7]),f(-1,[4,9,5,7,0,8,1,5,8,10,1,2,8,11,10,3]),f(-1,[5,4,0,3,5,0,11,0,5,11,10,6,11,0,3,6]),f(-1,[5,4,8,3,5,8,10,4,10,8,11,6]),f(-1,[9,7,8,6,5,7,9,5]),f(-1,[9,3,0,6,9,5,3,1,5,7,3,3]),f(-1,[0,7,8,6,0,1,7,1,1,5,7,3]),f(-1,[1,5,3,5,3,5,7,6]),f(-1,[9,7,8,6,9,5,7,3,10,1,2,7]),f(-1,[10,1,2,7,9,5,0,5,5,3,0,2,5,7,3,3]),f(-1,[8,0,2,3,8,2,5,0,8,5,7,6,10,5,2,5]),f(-1,[2,10,5,3,2,5,3,4,3,5,7,6]),f(-1,[7,9,5,6,7,8,9,3,3,11,2,7]),f(-1,[9,5,7,3,9,7,2,0,9,2,0,6,2,7,11,6]),f(-1,[2,3,11,7,0,1,8,5,1,7,8,2,1,5,7,3]),
f(-1,[11,2,1,3,11,1,7,4,7,1,5,6]),f(-1,[9,5,8,5,8,5,7,6,10,1,3,3,10,3,11,6]),f(-1,[5,7,0,1,5,0,9,6,7,11,0,1,1,0,10,5,11,10,0,1]),f(-1,[11,10,0,1,11,0,3,6,10,5,0,1,8,0,7,5,5,7,0,1]),f(-1,[11,10,5,3,7,11,5,5]),f(-1,[10,6,5,7]),f(-1,[0,8,3,7,5,10,6,7]),f(-1,[9,0,1,7,5,10,6,7]),f(-1,[1,8,3,6,1,9,8,3,5,10,6,7]),f(-1,[1,6,5,6,2,6,1,5]),f(-1,[1,6,5,6,1,2,6,3,3,0,8,7]),f(-1,[9,6,5,6,9,0,6,1,0,2,6,3]),f(-1,[5,9,8,3,5,8,2,0,5,2,6,6,3,2,8,5]),f(-1,[2,3,11,7,10,6,5,7]),f(-1,[11,0,8,6,11,2,0,3,10,6,5,7]),f(-1,
[0,1,9,7,2,3,11,7,5,10,6,7]),f(-1,[5,10,6,7,1,9,2,5,9,11,2,2,9,8,11,3]),f(-1,[6,3,11,6,6,5,3,1,5,1,3,3]),f(-1,[0,8,11,3,0,11,5,0,0,5,1,6,5,11,6,6]),f(-1,[3,11,6,3,0,3,6,1,0,6,5,2,0,5,9,6]),f(-1,[6,5,9,3,6,9,11,4,11,9,8,6]),f(-1,[5,10,6,7,4,7,8,7]),f(-1,[4,3,0,6,4,7,3,3,6,5,10,7]),f(-1,[1,9,0,7,5,10,6,7,8,4,7,7]),f(-1,[10,6,5,7,1,9,7,1,1,7,3,6,7,9,4,6]),f(-1,[6,1,2,6,6,5,1,3,4,7,8,7]),f(-1,[1,2,5,5,5,2,6,6,3,0,4,3,3,4,7,6]),f(-1,[8,4,7,7,9,0,5,5,0,6,5,2,0,2,6,3]),f(-1,[7,3,9,1,7,9,4,6,3,2,9,1,5,9,
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7,4,9,3]),f(-1,[9,10,7,1,9,7,4,6,10,2,7,1,8,7,0,5,2,0,7,1]),f(-1,[3,7,10,1,3,10,2,6,7,4,10,1,1,10,0,5,4,0,10,1]),f(-1,[1,10,2,7,8,7,4,7]),f(-1,[4,9,1,3,4,1,7,4,7,1,3,6]),f(-1,[4,9,1,3,4,1,7,4,0,8,1,5,8,7,1,1]),f(-1,[4,0,3,3,7,4,3,5]),f(-1,[4,8,7,7]),f(-1,[9,10,8,5,10,11,8,3]),f(-1,[3,0,9,3,3,9,11,4,11,9,10,6]),f(-1,[0,1,10,3,0,10,8,4,8,10,11,6]),f(-1,[3,1,10,3,11,3,10,5]),f(-1,[1,2,11,3,1,11,9,4,9,11,8,6]),f(-1,[3,0,9,3,3,9,11,4,1,2,9,5,2,11,9,1]),f(-1,[0,2,11,3,8,0,11,5]),f(-1,[3,2,11,7]),f(-1,[2,
3,8,3,2,8,10,4,10,8,9,6]),f(-1,[9,10,2,3,0,9,2,5]),f(-1,[2,3,8,3,2,8,10,4,0,1,8,5,1,10,8,1]),f(-1,[1,10,2,7]),f(-1,[1,3,8,3,9,1,8,5]),f(-1,[0,9,1,7]),f(-1,[0,3,8,7]),null]))});I("J.api");va(J.api,"VolumeDataInterface");I("J.jvxl.api");va(J.jvxl.api,"VertexDataServer");I("J.jvxl.api");L(["J.jvxl.api.VertexDataServer"],"J.jvxl.api.MeshDataServer",null,function(){va(J.jvxl.api,"MeshDataServer",J.jvxl.api.VertexDataServer)});I("J.shapesurface");L(["J.jvxl.api.MeshDataServer","J.shape.MeshCollection",
"JU.P3i","$.P4"],"J.shapesurface.Isosurface","java.io.BufferedReader java.lang.Boolean $.Float java.util.Hashtable JU.A4 $.AU $.BS $.CU $.Lst $.M3 $.P3 $.PT $.Quat $.Rdr $.SB $.V3 J.jvxl.data.JvxlCoder $.JvxlData $.MeshData J.jvxl.readers.SurfaceGenerator J.shape.Mesh J.shapesurface.IsosurfaceMesh JU.C $.Escape $.Logger $.TempArray JV.JC $.Viewer".split(" "),function(){c$=G(function(){this.actualID=this.thisMesh=this.isomeshes=null;this.explicitContours=this.iHaveBitSets=!1;this.moNumber=this.atomIndex=
0;this.moLinearCombination=null;this.meshColix=this.defaultColix=this.colorType=0;this.center=null;this.scale3d=0;this.isColorExplicit=this.isPhaseColored=!1;this.scriptAppendix="";this.jvxlData=this.sg=null;this.withinDistance2=0;this.isWithinNot=!1;this.cutoffRange=this.withinPoints=null;this.allowMesh=!0;this.script=null;this.iHaveModelIndex=!1;this.nLCAO=0;this.lcaoDir=null;this.associateNormals=!1;this.keyXy=this.ptXY=null;K(this,arguments)},J.shapesurface,"Isosurface",J.shape.MeshCollection,
J.jvxl.api.MeshDataServer);$(c$,function(){this.isomeshes=Array(4);this.lcaoDir=new JU.P4;this.ptXY=new JU.P3i});j(c$,"allocMesh",function(a,b){var c=this.meshCount++;this.meshes=this.isomeshes=JU.AU.ensureLength(this.isomeshes,2*this.meshCount);this.currentMesh=this.thisMesh=this.isomeshes[c]=null==b?new J.shapesurface.IsosurfaceMesh(this.vwr,a,this.colix,c):b;this.currentMesh.index=c;null!=this.sg&&this.sg.setJvxlData(this.jvxlData=this.thisMesh.jvxlData)},"~S,J.shape.Mesh");e(c$,"initShape",function(){Xa(this,
J.shapesurface.Isosurface,"initShape",[]);this.myType="isosurface";this.newSg()});e(c$,"newSg",function(){this.sg=new J.jvxl.readers.SurfaceGenerator(this.vwr,this,null,this.jvxlData=new J.jvxl.data.JvxlData);this.sg.params.showTiming=this.vwr.getBoolean(603979934);this.sg.version="Jmol "+JV.Viewer.getJmolVersion()});e(c$,"clearSg",function(){this.sg=null});j(c$,"setProperty",function(a,b,c){this.setPropI(a,b,c)},"~S,~O,JU.BS");e(c$,"setPropI",function(a,b,c){if("cache"===a){if(null!=this.currentMesh){var d=
this.currentMesh.thisID;c=this.currentMesh.modelIndex;this.vwr.cachePut("cache://isosurface_"+d,this.getPropI("jvxlDataXml"));this.deleteMeshI(this.currentMesh.index);this.setPropI("init",null,null);this.setPropI("thisID",d,null);this.setPropI("modelIndex",Integer.$valueOf(c),null);this.setPropI("fileName","cache://isosurface_"+d,null);this.setPropI("readFile",null,null);this.setPropI("finalize","isosurface ID "+JU.PT.esc(d)+(0<=c?" modelIndex "+c:"")+" /*file*/"+JU.PT.esc("cache://isosurface_"+d),
null);this.setPropI("clear",null,null)}}else if("delete"===a)this.setPropertySuper(a,b,c),this.explicitID||(this.nLCAO=this.nUnnamed=0),this.currentMesh=this.thisMesh=null;else if("remapInherited"===a)for(d=this.meshCount;0<=--d;)null!=this.isomeshes[d]&&"#inherit;".equals(this.isomeshes[d].colorCommand)&&this.isomeshes[d].remapColors(this.vwr,null,NaN);else if("remapColor"===a)null!=this.thisMesh&&this.thisMesh.remapColors(this.vwr,b,this.translucentLevel);else if("thisID"===a)null!=this.actualID&&
(b=this.actualID),this.setPropertySuper("thisID",b,null);else if("params"===a){if(null!=this.thisMesh){this.ensureMeshSource();this.thisMesh.checkAllocColixes();a=b[0];var g=null;if(null!=a){for(d=0;d<a.length;d++)a[d]=a[d];g=t(c.length(),0);b=0;for(d=c.nextSetBit(0);0<=d;d=c.nextSetBit(d+1),b++)g[d]=b}this.thisMesh.setVertexColixesForAtoms(this.vwr,a,g,c);this.thisMesh.setVertexColorMap()}}else if("atomcolor"===a)null!=this.thisMesh&&(this.ensureMeshSource(),this.thisMesh.colorVertices(JU.C.getColixO(b),
c,!0));else if("pointSize"===a)null!=this.thisMesh&&(this.thisMesh.volumeRenderPointSize=b.floatValue());else if("vertexcolor"===a)null!=this.thisMesh&&this.thisMesh.colorVertices(JU.C.getColixO(b),c,!1);else if("colorPhase"===a){d=b;c=JU.C.getColix(d[0].intValue());b=JU.C.getColix(d[1].intValue());d=null!=this.thisMesh?this.thisMesh.thisID:JU.PT.isWild(this.previousMeshID)?this.previousMeshID:null;g=this.getMeshList(d,!1);for(d=g.size();0<=--d;)this.setColorPhase(g.get(d),c,b)}else if("color"===
a){var k=JU.C.getHexCode(JU.C.getColixO(b));if(null!=this.thisMesh)this.setIsoMeshColor(this.thisMesh,k);else{g=this.getMeshList(JU.PT.isWild(this.previousMeshID)?this.previousMeshID:null,!1);for(d=g.size();0<=--d;)this.setIsoMeshColor(g.get(d),k)}this.setPropertySuper(a,b,c)}else if("nocontour"===a)null!=this.thisMesh&&this.thisMesh.deleteContours();else if("fixed"===a)this.isFixed=b.booleanValue(),this.setMeshI();else if("newObject"===a)null!=this.thisMesh&&this.thisMesh.clearType(this.thisMesh.meshType,
!1);else if("moveIsosurface"===a)null!=this.thisMesh&&(this.thisMesh.updateCoordinates(b,null),this.thisMesh.altVertices=null);else if("refreshTrajectories"===a)for(d=this.meshCount;0<=--d;)null!=this.meshes[d].connections&&this.meshes[d].modelIndex==b[0].intValue()&&this.meshes[d].updateCoordinates(b[2],b[1]);else if("modelIndex"===a)this.iHaveModelIndex||(this.modelIndex=b.intValue(),this.isFixed=0>this.modelIndex,this.sg.params.modelIndex=Math.abs(this.modelIndex));else if("lcaoCartoon"===a||"lonePair"===
a||"radical"===a)d=b,this.explicitID||this.setPropertySuper("thisID",null,null),this.sg.setProp("lcaoCartoonCenter",d[2],null)||this.drawLcaoCartoon(d[0],d[1],d[3],"lonePair"===a?2:"radical"===a?1:0);else if(!("select"===a&&this.iHaveBitSets||"ignore"===a&&this.iHaveBitSets))if("meshcolor"===a)d=b.intValue(),this.meshColix=JU.C.getColix(d),null!=this.thisMesh&&(this.thisMesh.meshColix=this.meshColix);else if("offset"===a)d=JU.P3.newP(b),d.equals(JV.JC.center)&&(d=null),null!=this.thisMesh&&(this.thisMesh.rotateTranslate(null,
d,!0),this.thisMesh.altVertices=null);else if("rotate"===a)null!=this.thisMesh&&(this.thisMesh.rotateTranslate(JU.Quat.newP4(b),null,!0),this.thisMesh.altVertices=null);else if("bsDisplay"===a)this.bsDisplay=b;else if("displayWithin"===a)d=b,this.displayWithinDistance2=d[0].floatValue(),this.isDisplayWithinNot=0>this.displayWithinDistance2,this.displayWithinDistance2*=this.displayWithinDistance2,this.displayWithinPoints=d[3],0==this.displayWithinPoints.size()&&(this.displayWithinPoints=this.vwr.ms.getAtomPointVector(d[2]));
else if("finalize"===a)null!=this.thisMesh&&(d=b,null!=d&&!d.startsWith("; isosurface map")&&(this.thisMesh.setDiscreteColixes(this.sg.params.contoursDiscrete,this.sg.params.contourColixes),this.setJvxlInfo()),this.setScriptInfo(d)),this.clearSg();else if("connections"===a)null!=this.currentMesh&&(this.connections=b,0<=this.connections[0]&&this.connections[0]<this.vwr.ms.ac?this.currentMesh.connections=this.connections:this.connections=this.currentMesh.connections=null);else if("cutoffRange"===a)this.cutoffRange=
b;else if("fixLattice"===a)null!=this.thisMesh&&this.thisMesh.fixLattice();else{if("slab"===a){if(U(b,Integer)){null!=this.thisMesh&&(this.thisMesh.jvxlData.slabValue=b.intValue());return}if(null!=this.thisMesh){switch(b[0].intValue()){case 1073742018:d=b[1];c=this.getMesh(d[1]);if(null==c)return;d[1]=c}this.slabPolygons(b);return}}if("cap"===a&&null!=this.thisMesh&&0!=this.thisMesh.pc)this.thisMesh.getMeshSlicer().slabPolygons(b,!0),this.thisMesh.initialize(this.thisMesh.lighting,null,null);else{if("map"===
a&&(null!=this.sg&&(this.sg.params.isMapped=!0),this.setProperty("squareData",Boolean.FALSE,null),null==this.thisMesh||0==this.thisMesh.vc))return;if("deleteVdw"===a){for(d=this.meshCount;0<=--d;)null!=this.isomeshes[d].bsVdw&&(null==c||c.intersects(this.isomeshes[d].bsVdw))&&this.deleteMeshI(d);this.currentMesh=this.thisMesh=null}else{if("mapColor"===a||"readFile"===a){if(null==b){b=this.vwr.fm.getBufferedReaderOrErrorMessageFromName(this.sg.params.fileName,null,!0,!0);if(U(b,String)){JU.Logger.error("Isosurface: could not open file "+
this.sg.params.fileName+" -- "+b);return}if(!U(b,java.io.BufferedReader))try{b=JU.Rdr.getBufferedReader(b,"ISO-8859-1")}catch(h){if(!T(h,java.io.IOException))throw h;}}}else if("atomIndex"===a)this.atomIndex=b.intValue(),null!=this.thisMesh&&(this.thisMesh.atomIndex=this.atomIndex);else if("center"===a)this.center.setT(b);else if("colorRGB"===a)d=b.intValue(),1296041474==d?this.colorType=d:(this.colorType=0,this.defaultColix=JU.C.getColix(d));else if("contour"===a)this.explicitContours=!0;else if("functionXY"===
a)2==this.sg.params.state&&this.setScriptInfo(null);else if("init"===a)this.newSg();else if("getSurfaceSets"===a)null!=this.thisMesh&&(this.thisMesh.jvxlData.thisSet=b.intValue(),this.thisMesh.calculatedVolume=null,this.thisMesh.calculatedArea=null);else if("localName"===a)b=this.vwr.getOutputChannel(b,null),a="outputChannel";else if("molecularOrbital"===a)U(b,Integer)?(this.moNumber=b.intValue(),this.moLinearCombination=null):(this.moLinearCombination=b,this.moNumber=0),this.isColorExplicit||(this.isPhaseColored=
!0);else if("phase"===a)this.isPhaseColored=!0;else if("plane"!==a&&"pocket"!==a)if("scale3d"===a)this.scale3d=b.floatValue(),null!=this.thisMesh&&(this.thisMesh.scale3d=this.thisMesh.jvxlData.scale3d=this.scale3d,this.thisMesh.altVertices=null);else if("title"===a)U(b,String)&&"-".equals(b)&&(b=null),this.setPropertySuper(a,b,c),b=this.title;else if("withinPoints"===a)d=b,this.withinDistance2=d[0].floatValue(),this.isWithinNot=0>this.withinDistance2,this.withinDistance2*=this.withinDistance2,this.withinPoints=
d[3],0==this.withinPoints.size()&&(this.withinPoints=this.vwr.ms.getAtomPointVector(d[2]));else if(("nci"===a||"orbital"===a)&&null!=this.sg)this.sg.params.testFlags=this.vwr.getTestFlag(2)?2:0;if(null!=this.sg&&this.sg.setProp(a,b,c)){if(this.sg.isValid)return;a="delete"}if("init"===a)this.explicitID=!1,this.scriptAppendix="",d=U(b,String)?b:null,b=null==d?-1:d.indexOf("# ID="),this.actualID=0<=b?JU.PT.getQuotedStringAt(d,b):null,this.setPropertySuper("thisID","+PREVIOUS_MESH+",null),null!=d&&!(this.iHaveBitSets=
this.getScriptBitSets(d,null))&&this.sg.setProp("select",c,null),this.initializeIsosurface(),this.sg.params.modelIndex=this.isFixed?-1:this.modelIndex;else if("clear"===a)this.discardTempData(!0);else if("colorDensity"===a)null!=b&&null!=this.currentMesh&&(this.currentMesh.volumeRenderPointSize=b.floatValue());else if("deleteModelAtoms"===a){a=b[2][0];g=b[2][1];b=b[2][2];for(d=this.meshCount;0<=--d;)c=this.meshes[d],null!=c&&(null!=c.connections&&(k=c.connections[0],k>=g+b?c.connections[0]=k-b:k>=
g&&(c.connections=null)),c.connections=null,c.modelIndex==a?(this.meshCount--,c===this.currentMesh&&(this.currentMesh=this.thisMesh=null),this.meshes=this.isomeshes=JU.AU.deleteElements(this.meshes,d,1)):c.modelIndex>a&&(c.modelIndex--,c.atomIndex>=g&&(c.atomIndex-=b)))}else this.setPropertySuper(a,b,c)}}}},"~S,~O,JU.BS");e(c$,"setIsoMeshColor",function(a,b){a.jvxlData.baseColor=b;a.isColorSolid=!0;a.pcs=null;a.colorsExplicit=!1;a.colorEncoder=null;a.vertexColorMap=null},"J.shapesurface.IsosurfaceMesh,~S");
e(c$,"setColorPhase",function(a,b,c){a.colorPhased=!0;a.colix=a.jvxlData.minColorIndex=b;a.jvxlData.maxColorIndex=c;a.jvxlData.isBicolorMap=!0;a.jvxlData.colorDensity=!1;a.isColorSolid=!1;a.remapColors(this.vwr,null,this.translucentLevel)},"J.shapesurface.IsosurfaceMesh,~N,~N");e(c$,"ensureMeshSource",function(){var a=null!=this.thisMesh.vertexSource;if(a)for(var b=this.thisMesh.vc;0<=--b;)if(0>this.thisMesh.vertexSource[b]){a=!1;break}if(!a){var a=this.thisMesh.vertexSource,c=this.thisMesh.vcs,b=
this.thisMesh.isColorSolid?this.thisMesh.colix:0;this.setProperty("init",null,null);this.setProperty("map",Boolean.FALSE,null);this.setProperty("property",w(this.vwr.ms.ac,0),null);0!=b&&(this.thisMesh.colorCommand="color isosurface "+JU.C.getHexCode(b),this.setProperty("color",Integer.$valueOf(JU.C.getArgb(b)),null));if(null!=a){for(b=this.thisMesh.vc;0<=--b;)0>a[b]&&(a[b]=this.thisMesh.vertexSource[b]);this.thisMesh.vertexSource=a;this.thisMesh.vcs=c}}});e(c$,"slabPolygons",function(a){this.thisMesh.getMeshSlicer().slabPolygons(a,
!1);this.thisMesh.reinitializeLightingAndColor(this.vwr)},"~A");e(c$,"setPropertySuper",function(a,b,c){"thisID"===a&&null!=this.currentMesh&&null!=this.currentMesh.thisID&&this.currentMesh.thisID.equals(b)?this.checkExplicit(b):(this.currentMesh=this.thisMesh,this.setPropMC(a,b,c),this.thisMesh=this.currentMesh,this.jvxlData=null==this.thisMesh?null:this.thisMesh.jvxlData,null!=this.sg&&this.sg.setJvxlData(this.jvxlData))},"~S,~O,JU.BS");j(c$,"getPropertyData",function(a,b){if("colorEncoder"===a){var c=
this.getMesh(b[0]);return null==c||null==(b[1]=c.colorEncoder)?!1:!0}if("intersectPlane"===a){c=this.getMesh(b[0]);if(null==c)return!1;b[3]=Integer.$valueOf(c.modelIndex);c.getMeshSlicer().getIntersection(0,b[1],null,b[2],null,null,null,!1,!1,134217750,!1);return!0}if("getBoundingBox"===a){c=b[0];c=this.getMesh(c);if(null==c||null==c.vs)return!1;b[2]=c.jvxlData.boundingBox;if(null!=c.mat4){var d=Array(2);d[0]=JU.P3.newP(c.jvxlData.boundingBox[0]);d[1]=JU.P3.newP(c.jvxlData.boundingBox[1]);var g=new JU.V3;
c.mat4.getTranslation(g);d[0].add(g);d[1].add(g);b[2]=d}return!0}if("unitCell"===a)return c=this.getMesh(b[0]),null!=c&&null!=(b[1]=c.getUnitCell());if("getCenter"===a&&-2147483648==b[1].intValue()){c=b[0];c=this.getMesh(c);if(null==c||null==c.vs)return!1;d=JU.P3.newP(c.jvxlData.boundingBox[0]);d.add(c.jvxlData.boundingBox[1]);d.scale(0.5);null!=c.mat4&&(g=new JU.V3,c.mat4.getTranslation(g),d.add(g));b[2]=d;return!0}return this.getPropDataMC(a,b)},"~S,~A");j(c$,"getProperty",function(a){return this.getPropI(a)},
"~S,~N");e(c$,"getPropI",function(a){var b=this.getPropMC(a);if(null!=b)return b;if("message"===a)return a="",24==this.shapeID&&(a+=" with cutoff="+this.jvxlData.cutoff),3.4028235E38!=this.jvxlData.dataMin&&(a+=" min="+this.jvxlData.dataMin+" max="+this.jvxlData.dataMax),a+="; "+JV.JC.shapeClassBases[this.shapeID].toLowerCase()+" count: "+this.getPropMC("count"),a+this.getPropI("dataRangeStr")+this.jvxlData.msg;if("dataRange"===a)return this.getDataRange();if("dataRangeStr"===a)return a=this.getDataRange(),
null!=a&&3.4028235E38!=a[0]&&a[0]!=a[1]?"\nisosurface full data range "+a[0]+" to "+a[1]+" with color scheme spanning "+a[2]+" to "+a[3]:"";if("moNumber"===a)return Integer.$valueOf(this.moNumber);if("moLinearCombination"===a)return this.moLinearCombination;if("nSets"===a)return Integer.$valueOf(null==this.thisMesh?0:this.thisMesh.nSets);if("area"===a)return null==this.thisMesh?Float.$valueOf(NaN):this.calculateVolumeOrArea(!0);if("volume"===a)return null==this.thisMesh?Float.$valueOf(NaN):this.calculateVolumeOrArea(!1);
if(null==this.thisMesh)return null;if("cutoff"===a)return Float.$valueOf(this.jvxlData.cutoff);if("minMaxInfo"===a)return w(-1,[this.jvxlData.dataMin,this.jvxlData.dataMax]);if("plane"===a)return this.jvxlData.jvxlPlane;if("contours"===a)return this.thisMesh.getContours();if("jvxlDataXml"===a||"jvxlMeshXml"===a)return b=null,this.jvxlData.slabInfo=null,"jvxlMeshXml"===a||this.jvxlData.vertexDataOnly||null!=this.thisMesh.bsSlabDisplay&&null==this.thisMesh.bsSlabGhost?(b=new J.jvxl.data.MeshData,this.fillMeshData(b,
1,null),b.polygonColorData=J.shapesurface.Isosurface.getPolygonColorData(b.pc,b.pcs,b.colorsExplicit?b.pis:null,b.bsSlabDisplay)):null!=this.thisMesh.bsSlabGhost&&(this.jvxlData.slabInfo=this.thisMesh.slabOptions.toString()),a=new JU.SB,this.getMeshCommand(a,this.thisMesh.index),this.thisMesh.setJvxlColorMap(!0),J.jvxl.data.JvxlCoder.jvxlGetFile(this.jvxlData,b,this.title,"",!0,1,a.toString(),null);if("jvxlFileInfo"===a)return this.thisMesh.setJvxlColorMap(!1),J.jvxl.data.JvxlCoder.jvxlGetInfo(this.jvxlData);
if("command"===a){a=new JU.SB;for(b=this.getMeshList(this.previousMeshID,!1).size();0<=--b;)this.getMeshCommand(a,b);return a.toString()}return null},"~S");e(c$,"getDataRange",function(){return null==this.thisMesh||null!=this.jvxlData.jvxlPlane&&null==this.thisMesh.colorEncoder?null:w(-1,[this.jvxlData.mappedDataMin,this.jvxlData.mappedDataMax,this.jvxlData.isColorReversed?this.jvxlData.valueMappedToBlue:this.jvxlData.valueMappedToRed,this.jvxlData.isColorReversed?this.jvxlData.valueMappedToRed:this.jvxlData.valueMappedToBlue])});
e(c$,"calculateVolumeOrArea",function(a){if(a){if(null!=this.thisMesh.calculatedArea)return this.thisMesh.calculatedArea}else if(null!=this.thisMesh.calculatedVolume)return this.thisMesh.calculatedVolume;var b=new J.jvxl.data.MeshData;this.fillMeshData(b,1,null);b.nSets=this.thisMesh.nSets;b.vertexSets=this.thisMesh.vertexSets;if(!a&&this.thisMesh.jvxlData.colorDensity)return a=this.thisMesh.jvxlData.voxelVolume,a*=null==this.thisMesh.bsSlabDisplay?this.thisMesh.vc:this.thisMesh.bsSlabDisplay.cardinality(),
this.thisMesh.calculatedVolume=Float.$valueOf(a);var c=J.jvxl.data.MeshData.calculateVolumeOrArea(b,this.thisMesh.jvxlData.thisSet,a,!1);0>=this.thisMesh.nSets&&(this.thisMesh.nSets=-b.nSets);a?this.thisMesh.calculatedArea=c:this.thisMesh.calculatedVolume=c;return c},"~B");c$.getPolygonColorData=e(c$,"getPolygonColorData",function(a,b,c,d){var g=null!=c;if(null==b&&null==c)return null;for(var k=new JU.SB,h=0,e=0,f=0,n=0,p=!1,s=0;s<a||!0==(p=!0);s++)if(p||null==d||d.get(s))if(p||(g?(n=c[s][4])!=f:
b[s]!=e)){0!=h&&k.append(" ").appendI(h).append(" ").appendI(g?f:0==e?0:JU.C.getArgb(e));if(p)break;g?f=n:e=b[s];h=1}else h++;k.append("\n");return k.toString()},"~N,~A,~A,JU.BS");j(c$,"getShapeState",function(){this.clean();var a=new JU.SB;a.append("\n");for(var b=0;b<this.meshCount;b++)this.getMeshCommand(a,b);return a.toString()});e(c$,"getMeshCommand",function(a,b){var c=this.meshes[b];if(!(null==c||null==c.scriptCommand)){var d=c.scriptCommand;1<this.vwr.ms.mc&&J.shape.Shape.appendCmd(a,"frame "+
this.vwr.getModelNumberDotted(c.modelIndex));var d=JU.PT.rep(d,";; isosurface map"," map"),d=JU.PT.rep(d,"; isosurface map"," map"),d=d.$replace("\t"," "),d=JU.PT.rep(d,";#","; #"),g=d.indexOf("; #");0<=g&&(d=d.substring(0,g));null!=c.connections&&(d+=" connect "+JU.Escape.eAI(c.connections));d=JU.PT.trim(d,";");null!=c.linkedMesh&&(d+=" LINK");"lcaoCartoon"===this.myType&&0<=c.atomIndex&&(d+=" ATOMINDEX "+c.atomIndex);J.shape.Shape.appendCmd(a,d);g=this.myType+" ID "+JU.PT.esc(c.thisID);0<=c.jvxlData.thisSet&&
J.shape.Shape.appendCmd(a,g+" set "+(c.jvxlData.thisSet+1));null!=c.mat4&&J.shape.Shape.appendCmd(a,g+" move "+JU.Escape.matrixToScript(c.mat4));0!=c.scale3d&&J.shape.Shape.appendCmd(a,g+" scale3d "+c.scale3d);-2147483648!=c.jvxlData.slabValue&&J.shape.Shape.appendCmd(a,g+" slab "+c.jvxlData.slabValue);null!=c.slabOptions&&J.shape.Shape.appendCmd(a,c.slabOptions.toString());if("#"!=d.charAt(0)&&(this.allowMesh&&J.shape.Shape.appendCmd(a,c.getState(this.myType)),!c.isColorSolid&&(0==c.colorType&&JU.C.isColixTranslucent(c.colix))&&
J.shape.Shape.appendCmd(a,"color "+this.myType+" "+J.shape.Shape.getTranslucentLabel(c.colix)),null!=c.colorCommand&&(0==c.colorType&&!c.colorCommand.equals("#inherit;"))&&J.shape.Shape.appendCmd(a,c.colorCommand),d=c.isColorSolid&&null!=c.pcs,c.isColorSolid&&0==c.colorType&&!c.colorsExplicit&&!d?J.shape.Shape.appendCmd(a,J.shape.Shape.getColorCommandUnk(this.myType,c.colix,this.translucentAllowed)):c.jvxlData.isBicolorMap&&c.colorPhased&&J.shape.Shape.appendCmd(a,"color isosurface phase "+J.shape.Shape.encodeColor(c.jvxlData.minColorIndex)+
" "+J.shape.Shape.encodeColor(c.jvxlData.maxColorIndex)),null!=c.vertexColorMap))for(var k,c=c.vertexColorMap.entrySet().iterator();c.hasNext()&&((k=c.next())||1);)d=k.getValue(),d.isEmpty()||J.shape.Shape.appendCmd(a,"color "+this.myType+" "+JU.Escape.eBS(d)+" "+k.getKey())}},"JU.SB,~N");e(c$,"getScriptBitSets",function(a,b){this.script=a;var c;this.iHaveModelIndex=!1;this.modelIndex=-1;if(null!=a&&0<=(c=a.indexOf("MODEL({"))){var d=a.indexOf("})",c);0<d&&(c=JU.BS.unescape(a.substring(c+3,d+1)),
this.modelIndex=null==c?-1:c.nextSetBit(0),this.iHaveModelIndex=0<=this.modelIndex)}if(null==a)return!1;this.getCapSlabInfo(a);c=a.indexOf("# ({");if(0>c)return!1;d=a.indexOf("})",c);if(0>d)return!1;c=JU.BS.unescape(a.substring(c+2,d+2));null==b?this.sg.setProp("select",c,null):b[0]=c;if(0>(c=a.indexOf("({",d)))return!0;d=a.indexOf("})",c);if(0>d)return!1;c=JU.BS.unescape(a.substring(c+1,d+1));null==b?this.sg.setProp("ignore",c,null):b[1]=c;if((c=a.indexOf("/({",d))==d+2){if(0>(d=a.indexOf("})",c)))return!1;
c=JU.BS.unescape(a.substring(c+3,d+1));null==b?this.vwr.ms.setTrajectoryBs(c):b[2]=c}return!0},"~S,~A");e(c$,"getCapSlabInfo",function(a){var b=a.indexOf("# SLAB=");0<=b&&this.sg.setProp("slab",this.getCapSlabObject(JU.PT.getQuotedStringAt(a,b),!1),null);b=a.indexOf("# CAP=");0<=b&&this.sg.setProp("slab",this.getCapSlabObject(JU.PT.getQuotedStringAt(a,b),!0),null)},"~S");e(c$,"getCapSlabObject",function(a,b){try{if(0==a.indexOf("array")){var c=JU.PT.split(a.substring(6,a.length-1),",");return JU.TempArray.getSlabObjectType(1678381065,
A(-1,[JU.Escape.uP(c[0]),JU.Escape.uP(c[1]),JU.Escape.uP(c[2]),JU.Escape.uP(c[3])]),b,null)}var d=JU.Escape.uP(a);if(U(d,JU.P4))return JU.TempArray.getSlabObjectType(134217750,d,b,null)}catch(g){if(!T(g,Exception))throw g;}return null},"~S,~B");e(c$,"initializeIsosurface",function(){this.iHaveModelIndex||(this.modelIndex=this.vwr.am.cmi);this.atomIndex=-1;this.bsDisplay=null;this.center=JU.P3.new3(NaN,0,0);this.colix=5;this.cutoffRange=this.connections=null;this.colorType=this.defaultColix=this.meshColix=
0;this.displayWithinPoints=null;this.explicitContours=!1;this.isFixed=0>this.modelIndex;this.isPhaseColored=this.isColorExplicit=!1;this.linkedMesh=null;0>this.modelIndex&&(this.modelIndex=0);this.scale3d=0;this.title=null;this.translucentLevel=0;this.withinPoints=null;this.initState()});e(c$,"initState",function(){this.associateNormals=!0;this.sg.initState()});e(c$,"setMeshI",function(){this.thisMesh.visible=!0;this.thisMesh.modelIndex=0<=(this.thisMesh.atomIndex=this.atomIndex)?this.vwr.ms.at[this.atomIndex].mi:
this.isFixed?-1:0<=this.modelIndex?this.modelIndex:this.vwr.am.cmi;this.thisMesh.scriptCommand=this.script;this.thisMesh.ptCenter.setT(this.center);this.thisMesh.scale3d=null==this.thisMesh.jvxlData.jvxlPlane?0:this.scale3d});e(c$,"discardTempData",function(a){a&&(this.title=null,null!=this.thisMesh&&(this.thisMesh.surfaceSet=null))},"~B");e(c$,"getDefaultColix",function(){return 0!=this.defaultColix?this.defaultColix:!this.sg.jvxlData.wasCubic?this.colix:JU.C.getColix(0<=this.sg.params.cutoff?-11525984:
-6283184)});e(c$,"drawLcaoCartoon",function(a,b,c,d){var g=this.sg.setLcao(),k=c.x+c.y+c.z;this.defaultColix=JU.C.getColix(this.sg.params.colorPos);var h=JU.C.getColix(this.sg.params.colorNeg),e=new JU.V3,f=0<g.length&&"-"==g.charAt(0);f&&(g=g.substring(1));f=f?-1:1;e.cross(a,b);if(0!=k){var n=new JU.A4;0!=c.x?n.setVA(b,k):0!=c.y?n.setVA(e,k):n.setVA(a,k);c=(new JU.M3).setAA(n);c.rotate(b);c.rotate(e);c.rotate(a)}null==this.thisMesh&&0==this.nLCAO&&(this.nLCAO=this.meshCount);c=null==this.thisMesh?
(0<d?"lp":"lcao")+ ++this.nLCAO+"_"+g:this.thisMesh.thisID;null==this.thisMesh&&this.allocMesh(c,null);g.equals("px")?(this.thisMesh.thisID+="a",g=this.thisMesh,this.createLcaoLobe(b,f,d),0<d||(this.setProperty("thisID",c+"b",null),this.createLcaoLobe(b,-f,d),this.thisMesh.colix=h,this.linkedMesh=this.thisMesh.linkedMesh=g)):g.equals("py")?(this.thisMesh.thisID+="a",g=this.thisMesh,this.createLcaoLobe(e,f,d),0<d||(this.setProperty("thisID",c+"b",null),this.createLcaoLobe(e,-f,d),this.thisMesh.colix=
h,this.linkedMesh=this.thisMesh.linkedMesh=g)):g.equals("pz")?(this.thisMesh.thisID+="a",g=this.thisMesh,this.createLcaoLobe(a,f,d),0<d||(this.setProperty("thisID",c+"b",null),this.createLcaoLobe(a,-f,d),this.thisMesh.colix=h,this.linkedMesh=this.thisMesh.linkedMesh=g)):g.equals("pza")||0==g.indexOf("sp")||0==g.indexOf("d")||0==g.indexOf("lp")?this.createLcaoLobe(a,f,d):g.equals("pzb")?this.createLcaoLobe(a,-f,d):g.equals("pxa")?this.createLcaoLobe(b,f,d):g.equals("pxb")?this.createLcaoLobe(b,-f,
d):g.equals("pya")?this.createLcaoLobe(e,f,d):g.equals("pyb")?this.createLcaoLobe(e,-f,d):g.equals("spacefill")||g.equals("cpk")?this.createLcaoLobe(null,2*this.vwr.ms.at[this.atomIndex].getRadius(),d):this.createLcaoLobe(null,1,d)},"JU.V3,JU.V3,JU.V3,~N");e(c$,"createLcaoLobe",function(a,b,c){this.initState();JU.Logger.debugging&&JU.Logger.debug("creating isosurface ID "+this.thisMesh.thisID);null==a?this.setProperty("sphere",Float.$valueOf(b/2),null):(this.lcaoDir.x=a.x*b,this.lcaoDir.y=a.y*b,this.lcaoDir.z=
a.z*b,this.lcaoDir.w=0.7,this.setProperty(2==c?"lp":1==c?"rad":"lobe",this.lcaoDir,null));this.thisMesh.colix=this.defaultColix;this.setScriptInfo(null)},"JU.V3,~N,~N");j(c$,"invalidateTriangles",function(){this.thisMesh.invalidatePolygons()});j(c$,"setOutputChannel",function(a,b){a.setOutputChannel(b)},"javajs.api.GenericBinaryDocument,JU.OC");j(c$,"fillMeshData",function(a,b,c){if(null==a){if(null==this.thisMesh&&this.allocMesh(null,null),this.thisMesh.isMerged||this.thisMesh.clearType(this.myType,
this.sg.params.iAddGridPoints),this.thisMesh.connections=this.connections,this.thisMesh.colix=this.getDefaultColix(),this.thisMesh.colorType=this.colorType,this.thisMesh.meshColix=this.meshColix,this.isPhaseColored||this.thisMesh.jvxlData.isBicolorMap)this.thisMesh.isColorSolid=!1}else if(null==c&&(c=this.thisMesh),null!=c)switch(b){case 1:a.mergeVertexCount0=c.mergeVertexCount0;a.vs=c.vs;a.vertexSource=c.vertexSource;a.vvs=c.vvs;a.vc=c.vc;a.vertexIncrement=c.vertexIncrement;a.pc=c.pc;a.pis=c.pis;
a.pcs=c.pcs;a.bsSlabDisplay=c.bsSlabDisplay;a.bsSlabGhost=c.bsSlabGhost;a.slabColix=c.slabColix;a.slabMeshType=c.slabMeshType;a.polygonCount0=c.polygonCount0;a.vertexCount0=c.vertexCount0;a.slabOptions=c.slabOptions;a.colorsExplicit=c.colorsExplicit;break;case 2:if(null==c.vcs||c.vc>c.vcs.length)c.vcs=Q(c.vc,0);a.vcs=c.vcs;break;case 3:c.surfaceSet=a.surfaceSet;c.vertexSets=a.vertexSets;c.nSets=a.nSets;break;case 4:c.vs=a.vs,c.vvs=a.vvs,c.vc=a.vc,c.vertexIncrement=a.vertexIncrement,c.vertexSource=
a.vertexSource,c.pc=a.pc,c.pis=a.pis,c.pcs=a.pcs,c.bsSlabDisplay=a.bsSlabDisplay,c.bsSlabGhost=a.bsSlabGhost,c.slabColix=a.slabColix,c.slabMeshType=a.slabMeshType,c.polygonCount0=a.polygonCount0,c.vertexCount0=a.vertexCount0,c.mergeVertexCount0=a.mergeVertexCount0,c.slabOptions=a.slabOptions,c.colorsExplicit=a.colorsExplicit}},"J.jvxl.data.MeshData,~N,J.shapesurface.IsosurfaceMesh");j(c$,"notifySurfaceGenerationCompleted",function(){this.setMeshI();this.setBsVdw();this.thisMesh.insideOut=this.sg.isInsideOut();
this.thisMesh.vertexSource=this.sg.params.vertexSource;this.thisMesh.spanningVectors=this.sg.getSpanningVectors();this.thisMesh.calculatedArea=null;this.thisMesh.calculatedVolume=null;if(!this.thisMesh.isMerged)return this.thisMesh.initialize(this.sg.isFullyLit()?1073741964:1073741958,null,this.sg.params.thePlane),null!=this.jvxlData.fixedLattice&&(this.thisMesh.lattice=this.jvxlData.fixedLattice,this.thisMesh.fixLattice()),this.thisMesh.setColorsFromJvxlData(this.sg.params.colorRgb);this.sg.params.allowVolumeRender||
(this.thisMesh.jvxlData.allowVolumeRender=!1);this.thisMesh.setColorsFromJvxlData(this.sg.params.colorRgb);null!=this.thisMesh.jvxlData.slabInfo&&this.vwr.runScript("isosurface "+this.thisMesh.jvxlData.slabInfo);0<this.sg.params.psi_monteCarloCount&&(this.thisMesh.diameter=-1);return!1});j(c$,"notifySurfaceMappingCompleted",function(){this.thisMesh.isMerged||this.thisMesh.initialize(this.sg.isFullyLit()?1073741964:1073741958,null,this.sg.params.thePlane);this.setBsVdw();this.thisMesh.isColorSolid=
!1;this.thisMesh.colorDensity=this.jvxlData.colorDensity;this.thisMesh.volumeRenderPointSize=this.jvxlData.pointSize;this.thisMesh.colorEncoder=this.sg.params.colorEncoder;this.thisMesh.getContours();0!=this.thisMesh.jvxlData.nContours&&-1!=this.thisMesh.jvxlData.nContours&&(this.explicitContours=!0);this.explicitContours&&null!=this.thisMesh.jvxlData.jvxlPlane&&(this.thisMesh.havePlanarContours=!0);this.setPropertySuper("token",Integer.$valueOf(this.explicitContours?1073742046:1073741938),null);
this.setPropertySuper("token",Integer.$valueOf(this.explicitContours?1073741898:1073742039),null);this.thisMesh.isMerged||this.thisMesh.setJvxlDataRendering();null!=this.sg.params.slabInfo&&(this.thisMesh.slabPolygonsList(this.sg.params.slabInfo,!1),this.thisMesh.reinitializeLightingAndColor(this.vwr));this.thisMesh.setColorCommand()});e(c$,"setBsVdw",function(){null!=this.sg.bsVdw&&(null==this.thisMesh.bsVdw&&(this.thisMesh.bsVdw=new JU.BS),this.thisMesh.bsVdw.or(this.sg.bsVdw))});j(c$,"calculateGeodesicSurface",
function(a,b){return this.vwr.calculateSurface(a,b)},"JU.BS,~N");j(c$,"getSurfacePointIndexAndFraction",function(){return 0},"~N,~B,~N,~N,~N,JU.P3i,~N,~N,~N,~N,JU.T3,JU.V3,~B,~A");j(c$,"addVertexCopy",function(a,b,c,d){return null!=this.cutoffRange&&(b<this.cutoffRange[0]||b>this.cutoffRange[1])?-1:null!=this.withinPoints&&!J.shape.Mesh.checkWithin(a,this.withinPoints,this.withinDistance2,this.isWithinNot)?-1:this.thisMesh.addVertexCopy(a,b,c,this.associateNormals,d)},"JU.T3,~N,~N,~B");j(c$,"addTriangleCheck",
function(a,b,c,d,g,k,h){return 0>a||0>b||0>c||k&&!J.jvxl.data.MeshData.checkCutoff(a,b,c,this.thisMesh.vvs)?-1:this.thisMesh.addTriangleCheck(a,b,c,d,g,h)},"~N,~N,~N,~N,~N,~B,~N");e(c$,"setScriptInfo",function(a){a=null==a?this.sg.params.script:a;var b=null==a?-1:a.indexOf("; isosurface map");if(0==b)null!=this.thisMesh.scriptCommand&&(b=this.thisMesh.scriptCommand.indexOf("; isosurface map"),0<=b&&(this.thisMesh.scriptCommand=this.thisMesh.scriptCommand.substring(0,b)),this.thisMesh.scriptCommand+=
a);else if(this.thisMesh.title=this.sg.params.title,this.thisMesh.dataType=this.sg.params.dataType,this.thisMesh.scale3d=this.sg.params.scale3d,null!=a&&" "==a.charAt(0)&&(a=this.myType+" ID "+JU.PT.esc(this.thisMesh.thisID)+a,b=a.indexOf("; isosurface map")),this.thisMesh.scriptCommand=0<b&&0<this.scriptAppendix.length?a.substring(0,b)+this.scriptAppendix+a.substring(b):a+this.scriptAppendix,!this.explicitID&&null!=a&&0<=(b=a.indexOf("# ID=")))this.thisMesh.thisID=JU.PT.getQuotedStringAt(a,b)},"~S");
j(c$,"addRequiredFile",function(a){a=' # /*file*/"'+a+'"';0>this.scriptAppendix.indexOf(a)&&(this.scriptAppendix+=a)},"~S");e(c$,"setJvxlInfo",function(){if(this.sg.jvxlData!==this.jvxlData||this.sg.jvxlData!==this.thisMesh.jvxlData)this.jvxlData=this.thisMesh.jvxlData=this.sg.jvxlData});j(c$,"getShapeDetail",function(){for(var a=new JU.Lst,b=0;b<this.meshCount;b++){var c=new java.util.Hashtable,d=this.isomeshes[b];null==d||(null==d.vs||0==d.vc&&0==d.pc)||(this.addMeshInfo(d,c),a.addLast(c))}return a});
e(c$,"addMeshInfo",function(a,b){b.put("ID",null==a.thisID?"<noid>":a.thisID);b.put("visible",Boolean.$valueOf(a.visible));b.put("vertexCount",Integer.$valueOf(a.vc));null!=a.calculatedVolume&&b.put("volume",a.calculatedVolume);null!=a.calculatedArea&&b.put("area",a.calculatedArea);Float.isNaN(a.ptCenter.x)||b.put("center",a.ptCenter);null!=a.mat4&&b.put("mat4",a.mat4);0!=a.scale3d&&b.put("scale3d",Float.$valueOf(a.scale3d));b.put("xyzMin",a.jvxlData.boundingBox[0]);b.put("xyzMax",a.jvxlData.boundingBox[1]);
var c=J.jvxl.data.JvxlCoder.jvxlGetInfo(a.jvxlData);null!=c&&b.put("jvxlInfo",c.$replace("\n"," "));b.put("modelIndex",Integer.$valueOf(a.modelIndex));b.put("color",JU.CU.colorPtFromInt(JU.C.getArgb(a.colix),null));null!=a.colorEncoder&&b.put("colorKey",a.colorEncoder.getColorKey());null!=a.title&&b.put("title",a.title);(null!=a.jvxlData.contourValues||null!=a.jvxlData.contourValuesUsed)&&b.put("contours",a.getContourList(this.vwr))},"J.shapesurface.IsosurfaceMesh,java.util.Map");j(c$,"getPlane",
function(){return null},"~N");j(c$,"getValue",function(){return 0},"~N,~N,~N,~N");j(c$,"checkObjectHovered",function(a,b,c){if(null!=this.keyXy&&a>=this.keyXy[0]&&b>=this.keyXy[1]&&a<this.keyXy[2]&&b<this.keyXy[3])return this.hoverKey(a,b),!0;if(!this.vwr.getDrawHover())return!1;c=this.findValue(a,b,!1,c);if(null==c)return!1;this.vwr.gdata.antialiasEnabled&&(a<<=1,b<<=1);this.vwr.hoverOnPt(a,b,c,this.pickedMesh.thisID,this.pickedPt);return!0},"~N,~N,JU.BS");e(c$,"hoverKey",function(a,b){try{var c,
d=1-1*(b-this.keyXy[1])/(this.keyXy[3]-this.keyXy[1]);if(this.thisMesh.showContourLines){var g=this.thisMesh.getContours();if(null==g){if(null==this.thisMesh.jvxlData.contourValues)return;var k=F(Math.floor(d*this.thisMesh.jvxlData.contourValues.length));if(0>k||k>this.thisMesh.jvxlData.contourValues.length)return;c=""+this.thisMesh.jvxlData.contourValues[k]}else{k=F(Math.floor(d*g.length));if(0>k||k>g.length)return;c=""+g[k].get(2).floatValue()}}else{var h=this.thisMesh.colorEncoder.quantize(d,!0),
d=this.thisMesh.colorEncoder.quantize(d,!1);c=""+h+" - "+d}this.vwr.gdata.isAntialiased()&&(a<<=1,b<<=1);this.vwr.hoverOnPt(a,b,c,null,null)}catch(e){if(!T(e,Exception))throw e;}},"~N,~N");j(c$,"checkObjectClicked",function(a,b,c,d,g){if(!g||!this.vwr.isBound(c,18))return null;c=100;this.vwr.gdata.isAntialiased()&&(a<<=1,b<<=1,c<<=1);for(var k=g=-1,h=-2147483648,e=2147483647,f=0;f<this.meshCount;f++){var n=this.isomeshes[f];if(this.isPickable(n,d)&&(n=n.vs,null!=n))for(var p=n.length;0<=--p;){var s=
n[p];null!=s&&0<=this.coordinateInRange(a,b,s,c,this.ptXY)&&(this.ptXY.z<e&&(g=f,e=this.ptXY.z,k=p),this.ptXY.z>h&&(h=this.ptXY.z))}}if(0>g)return null;this.pickedMesh=this.isomeshes[g];this.setPropertySuper("thisID",this.pickedMesh.thisID,null);this.pickedVertex=k;a=new JU.P3;a.setT(this.pickedMesh.vs[this.pickedVertex]);this.pickedModel=this.pickedMesh.modelIndex;b=this.getPickedPoint(a,this.pickedModel);this.setStatusPicked(-4,a,b);return b},"~N,~N,~N,JU.BS,~B");e(c$,"isPickable",function(a,b){return 0!=
a.visibilityFlags&&(0>a.modelIndex||b.get(a.modelIndex))&&!JU.C.isColixTranslucent(a.colix)},"J.shapesurface.IsosurfaceMesh,JU.BS");e(c$,"findValue",function(a,b,c,d){c=100;this.vwr.gdata.isAntialiased()&&(a<<=1,b<<=1,c<<=1);for(var g=-1,k=null,h=null,e=0;e<this.meshCount;e++)if(h=this.isomeshes[e],this.isPickable(h,d)){var f=h.jvxlData.vContours,n=0>h.firstRealVertex?0:h.firstRealVertex,p=0;if(null!=f&&0<f.length){for(n=0;n<f.length;n++)for(var s=f[n],u=s.size()-1,q=6;q<u;q++){var j=s.get(q),t=this.coordinateInRange(a,
b,j,c,this.ptXY);0<=t&&(c=t,k=s,p=n,this.pickedMesh=h,this.pickedPt=j)}if(null!=k)return k.get(2).toString()+(JU.Logger.debugging?" "+p:"")}else if(null!=h.jvxlData.jvxlPlane&&null!=h.vvs){f=null==h.mat4&&0==h.scale3d?h.vs:h.getOffsetVertices(h.jvxlData.jvxlPlane);for(q=h.vc;--q>=n;)j=f[q],t=this.coordinateInRange(a,b,j,c,this.ptXY),0<=t&&(c=t,g=q,this.pickedMesh=h,this.pickedPt=j);if(-1!=g)break}else if(null!=h.vvs){if(null!=h.bsSlabDisplay)for(q=h.bsSlabDisplay.nextSetBit(0);0<=q;q=h.bsSlabDisplay.nextSetBit(q+
1)){f=h.pis[q];for(p=0;3>p;p++)j=h.vs[f[p]],t=this.coordinateInRange(a,b,j,c,this.ptXY),0<=t&&(c=t,g=f[p],this.pickedMesh=h,this.pickedPt=j)}else for(q=h.vc;--q>=n;)j=h.vs[q],t=this.coordinateInRange(a,b,j,c,this.ptXY),0<=t&&(c=t,g=q,this.pickedMesh=h,this.pickedPt=j);if(-1!=g)break}}return-1==g?null:(JU.Logger.debugging?"$"+h.thisID+"["+(g+1)+"] "+h.vs[g]+": ":h.thisID+": ")+h.vvs[g]},"~N,~N,~B,JU.BS");e(c$,"getCmd",function(a){var b=(new JU.SB).append("\n");this.getMeshCommand(b,a);return b.toString()},
"~N");X(c$,"MAX_OBJECT_CLICK_DISTANCE_SQUARED",100)});I("J.jvxl.data");L(null,"J.jvxl.data.JvxlCoder","java.lang.Float JU.BS $.Lst $.P3 $.PT $.SB $.XmlUtil J.jvxl.data.VolumeData JU.BSUtil $.C $.Escape $.Logger".split(" "),function(){c$=ua(J.jvxl.data,"JvxlCoder");c$.jvxlGetFile=e(c$,"jvxlGetFile",function(a,b,c){var d=a.getVoxelCounts();b.nPointsX=d[0];b.nPointsY=d[1];b.nPointsZ=d[2];b.jvxlVolumeDataXml=a.setVolumetricXml();return J.jvxl.data.JvxlCoder.jvxlGetFile(b,null,c,null,!0,1,null,null)},
"J.jvxl.data.VolumeData,J.jvxl.data.JvxlData,~A");c$.jvxlGetFile=e(c$,"jvxlGetFile",function(a,b,c,d,g,k,h,e){return J.jvxl.data.JvxlCoder.jvxlGetFileXml(a,b,c,d,g,k,h,e)},"J.jvxl.data.JvxlData,J.jvxl.data.MeshData,~A,~S,~B,~N,~S,~S");c$.jvxlGetFileXml=e(c$,"jvxlGetFileXml",function(a,b,c,d,g,k,h,e){var f=new JU.SB;if("TRAILERONLY".equals(d))return JU.XmlUtil.closeTag(f,"jvxlSurfaceSet"),JU.XmlUtil.closeTag(f,"jvxl"),f.toString();var n=null!=b,p="HEADERONLY".equals(d);if(g){JU.XmlUtil.openDocument(f);
JU.XmlUtil.openTagAttr(f,"jvxl",A(-1,["version","2.3","jmolVersion",a.version,"xmlns","http://jmol.org/jvxl_schema","xmlns:cml","http://www.xml-cml.org/schema"]));null!=a.jvxlFileTitle&&JU.XmlUtil.appendCdata(f,"jvxlFileTitle",null,"\n"+a.jvxlFileTitle);null!=a.moleculeXml&&f.append(a.moleculeXml);var s=n?null:a.jvxlVolumeDataXml;null==s&&(s=(new J.jvxl.data.VolumeData).setVolumetricXml());f.append(s);JU.XmlUtil.openTagAttr(f,"jvxlSurfaceSet",A(-1,["count",""+(0<k?k:1)]));if(p)return f.toString()}k=
n?"pmesh":null==a.jvxlPlane?"isosurface":"plane";null!=a.jvxlColorData&&0<a.jvxlColorData.length&&(k="mapped "+k);JU.XmlUtil.openTagAttr(f,"jvxlSurface",A(-1,["type",k]));f.append(J.jvxl.data.JvxlCoder.jvxlGetInfoData(a,n));J.jvxl.data.JvxlCoder.jvxlAppendCommandState(f,e,h);if(null!=c||null!=d&&0<d.length){h=new JU.SB;null!=d&&0<d.length&&h.append(d).append("\n");if(null!=c)for(d=0;d<c.length;d++)h.append(c[d]).appendC("\n");JU.XmlUtil.appendCdata(f,"jvxlSurfaceTitle",null,h.toString())}h=new JU.SB;
JU.XmlUtil.openTagAttr(h,"jvxlSurfaceData",n||null==a.jvxlPlane?null:null==a.mapLattice?A(-1,["plane",JU.Escape.eP4(a.jvxlPlane)]):A(-1,["plane",JU.Escape.eP4(a.jvxlPlane),"maplattice",JU.Escape.eP(a.mapLattice)]));if(n)J.jvxl.data.JvxlCoder.appendXmlVertexOnlyData(h,a,b,!0);else{if(null==a.jvxlPlane){if(null==a.jvxlEdgeData)return"";J.jvxl.data.JvxlCoder.appendXmlEdgeData(h,a)}J.jvxl.data.JvxlCoder.appendXmlColorData(h,a.jvxlColorData,!0,a.isJvxlPrecisionColor,a.valueMappedToRed,a.valueMappedToBlue)}J.jvxl.data.JvxlCoder.appendEncodedBitSetTag(h,
"jvxlInvalidatedVertexData",a.jvxlExcluded[1],-1,null);0<a.excludedVertexCount&&(J.jvxl.data.JvxlCoder.appendEncodedBitSetTag(h,"jvxlExcludedVertexData",a.jvxlExcluded[0],a.excludedVertexCount,null),J.jvxl.data.JvxlCoder.appendEncodedBitSetTag(h,"jvxlExcludedPlaneData",a.jvxlExcluded[2],-1,null));J.jvxl.data.JvxlCoder.appendEncodedBitSetTag(h,"jvxlExcludedTriangleData",a.jvxlExcluded[3],a.excludedTriangleCount,null);JU.XmlUtil.closeTag(h,"jvxlSurfaceData");b=h.length();f.appendSB(h);null!=a.vContours&&
0<a.vContours.length&&J.jvxl.data.JvxlCoder.jvxlEncodeContourData(a.vContours,f);if(null!=a.vertexColorMap){null==a.baseColor?JU.XmlUtil.openTag(f,"jvxlVertexColorData"):JU.XmlUtil.openTagAttr(f,"jvxlVertexColorData",A(-1,["baseColor",a.baseColor]));var j;for(c=a.vertexColorMap.entrySet().iterator();c.hasNext()&&((j=c.next())||1);)J.jvxl.data.JvxlCoder.appendEncodedBitSetTag(f,"jvxlColorMap",j.getValue(),-1,A(-1,["color",j.getKey()]));a.vertexColorMap=null;JU.XmlUtil.closeTag(f,"jvxlVertexColorData")}JU.XmlUtil.closeTag(f,
"jvxlSurface");g&&(JU.XmlUtil.closeTag(f,"jvxlSurfaceSet"),JU.XmlUtil.closeTag(f,"jvxl"));return J.jvxl.data.JvxlCoder.jvxlSetCompressionRatio(f,a,b)},"J.jvxl.data.JvxlData,J.jvxl.data.MeshData,~A,~S,~B,~N,~S,~S");c$.appendEncodedBitSetTag=e(c$,"appendEncodedBitSetTag",function(a,b,c,d,g){0>d&&(d=JU.BSUtil.cardinalityOf(c));if(0!=d){var k=new JU.SB;k.append("\n ");J.jvxl.data.JvxlCoder.jvxlEncodeBitSetBuffer(c,-1,k);JU.XmlUtil.appendTagObj(a,b,A(-1,[g,"bsEncoding","base90+35","count",""+d,"len",""+
c.length()]),J.jvxl.data.JvxlCoder.jvxlCompressString(k.toString(),!0))}},"JU.SB,~S,JU.BS,~N,~A");c$.jvxlSetCompressionRatio=e(c$,"jvxlSetCompressionRatio",function(a,b,c){a=a.toString();b=y(0<b.nBytes?b.nBytes/c:13*b.nPointsX*b.nPointsY*b.nPointsZ/c);return JU.PT.rep(a,'"not calculated"',0<b?'"'+b+':1"':'"?"')},"JU.SB,J.jvxl.data.JvxlData,~N");c$.appendXmlEdgeData=e(c$,"appendXmlEdgeData",function(a,b){JU.XmlUtil.appendTagObj(a,"jvxlEdgeData",A(-1,["count",""+(b.jvxlEdgeData.length-1),"encoding",
"base90f1","bsEncoding","base90+35c","isXLowToHigh",""+b.isXLowToHigh,"data",J.jvxl.data.JvxlCoder.jvxlCompressString(b.jvxlEdgeData,!0)]),"\n"+J.jvxl.data.JvxlCoder.jvxlCompressString(b.jvxlSurfaceData,!0))},"JU.SB,J.jvxl.data.JvxlData");c$.jvxlAppendCommandState=e(c$,"jvxlAppendCommandState",function(a,b,c){null!=b&&JU.XmlUtil.appendCdata(a,"jvxlIsosurfaceCommand",null,"\n"+(0>b.indexOf("#")?b:b.substring(0,b.indexOf("#")))+"\n");null!=c&&(0<=c.indexOf("** XML ** ")?(c=JU.PT.split(c,"** XML **")[1].trim(),
JU.XmlUtil.appendTag(a,"jvxlIsosurfaceState","\n"+c+"\n")):JU.XmlUtil.appendCdata(a,"jvxlIsosurfaceState",null,"\n"+c))},"JU.SB,~S,~S");c$.appendXmlColorData=e(c$,"appendXmlColorData",function(a,b,c,d,g,k){var h;if(!(null==b||0>(h=b.length-1)))d&&(h/=2),JU.XmlUtil.appendTagObj(a,"jvxlColorData",A(-1,["count",""+h,"encoding",c?"base90f"+(d?"2":"1"):"none","min",""+g,"max",""+k,"data",J.jvxl.data.JvxlCoder.jvxlCompressString(b,!0)]),null)},"JU.SB,~S,~B,~B,~N,~N");c$.jvxlGetInfo=e(c$,"jvxlGetInfo",function(a){return J.jvxl.data.JvxlCoder.jvxlGetInfoData(a,
a.vertexDataOnly)},"J.jvxl.data.JvxlData");c$.jvxlGetInfoData=e(c$,"jvxlGetInfoData",function(a,b){if(null==a.jvxlSurfaceData)return"";var c=new JU.Lst,d=a.nSurfaceInts,g=b?0:a.jvxlEdgeData.length-1,k=null==a.jvxlColorData?-1:a.jvxlColorData.length-1;if(!b){J.jvxl.data.JvxlCoder.addAttrib(c,"\n  cutoff",""+a.cutoff);J.jvxl.data.JvxlCoder.addAttrib(c,"\n  isCutoffAbsolute",""+a.isCutoffAbsolute);J.jvxl.data.JvxlCoder.addAttrib(c,"\n  pointsPerAngstrom",""+a.pointsPerAngstrom);var h=a.jvxlSurfaceData.length+
g+k+1;0<h&&J.jvxl.data.JvxlCoder.addAttrib(c,"\n  nBytesData",""+h);J.jvxl.data.JvxlCoder.addAttrib(c,"\n  isXLowToHigh",""+a.isXLowToHigh);null==a.jvxlPlane&&(J.jvxl.data.JvxlCoder.addAttrib(c,"\n  nSurfaceInts",""+d),J.jvxl.data.JvxlCoder.addAttrib(c,"\n  nBytesUncompressedEdgeData",""+g));0<k&&J.jvxl.data.JvxlCoder.addAttrib(c,"\n  nBytesUncompressedColorData",""+k)}a.excludedVertexCount=JU.BSUtil.cardinalityOf(a.jvxlExcluded[0]);a.excludedTriangleCount=JU.BSUtil.cardinalityOf(a.jvxlExcluded[3]);
0<a.excludedVertexCount&&J.jvxl.data.JvxlCoder.addAttrib(c,"\n  nExcludedVertexes",""+a.excludedVertexCount);0<a.excludedTriangleCount&&J.jvxl.data.JvxlCoder.addAttrib(c,"\n  nExcludedTriangles",""+a.excludedTriangleCount);h=JU.BSUtil.cardinalityOf(a.jvxlExcluded[1]);0<h&&J.jvxl.data.JvxlCoder.addAttrib(c,"\n  nInvalidatedVertexes",""+h);null!=a.slabInfo&&J.jvxl.data.JvxlCoder.addAttrib(c,"\n  slabInfo",a.slabInfo);a.isJvxlPrecisionColor&&J.jvxl.data.JvxlCoder.addAttrib(c,"\n  precisionColor","true");
a.colorDensity&&J.jvxl.data.JvxlCoder.addAttrib(c,"\n  colorDensity","true");Float.isNaN(a.pointSize)?0!=a.diameter&&J.jvxl.data.JvxlCoder.addAttrib(c,"\n  diameter",""+a.diameter):J.jvxl.data.JvxlCoder.addAttrib(c,"\n  pointSize",""+a.pointSize);a.allowVolumeRender||J.jvxl.data.JvxlCoder.addAttrib(c,"\n  allowVolumeRender","false");null==a.jvxlPlane||b?(null!=a.fixedLattice&&!b&&J.jvxl.data.JvxlCoder.addAttrib(c,"\n  fixedLattice",""+a.fixedLattice),a.isContoured?(J.jvxl.data.JvxlCoder.addAttrib(c,
"\n  contoured","true"),J.jvxl.data.JvxlCoder.addAttrib(c,"\n  colorMapped","true")):a.isBicolorMap?(J.jvxl.data.JvxlCoder.addAttrib(c,"\n  bicolorMap","true"),J.jvxl.data.JvxlCoder.addAttrib(c,"\n  colorNegative",JU.C.getHexCode(a.minColorIndex)),J.jvxl.data.JvxlCoder.addAttrib(c,"\n  colorPositive",JU.C.getHexCode(a.maxColorIndex))):0<k&&J.jvxl.data.JvxlCoder.addAttrib(c,"\n  colorMapped","true"),null!=a.vContours&&0<a.vContours.length&&J.jvxl.data.JvxlCoder.addAttrib(c,"\n  nContourData",""+a.vContours.length)):
(null!=a.mapLattice&&J.jvxl.data.JvxlCoder.addAttrib(c,"\n  mapLattice",""+a.mapLattice),0!=a.scale3d&&J.jvxl.data.JvxlCoder.addAttrib(c,"\n  scale3d",""+a.scale3d),0<k&&J.jvxl.data.JvxlCoder.addAttrib(c,"\n  colorMapped","true"),J.jvxl.data.JvxlCoder.addAttrib(c,"\n  plane",JU.Escape.eP4(a.jvxlPlane)));null!=a.color&&0>a.color.indexOf("null")&&J.jvxl.data.JvxlCoder.addAttrib(c,"\n  color",a.color);J.jvxl.data.JvxlCoder.addAttrib(c,"\n  translucency",""+a.translucency);null!=a.meshColor&&J.jvxl.data.JvxlCoder.addAttrib(c,
"\n  meshColor",a.meshColor);null!=a.colorScheme&&J.jvxl.data.JvxlCoder.addAttrib(c,"\n  colorScheme",a.colorScheme);null!=a.rendering&&J.jvxl.data.JvxlCoder.addAttrib(c,"\n  rendering",a.rendering);0<=a.thisSet&&J.jvxl.data.JvxlCoder.addAttrib(c,"\n  set",""+(a.thisSet+1));-2147483648!=a.slabValue&&J.jvxl.data.JvxlCoder.addAttrib(c,"\n  slabValue",""+a.slabValue);a.isSlabbable&&J.jvxl.data.JvxlCoder.addAttrib(c,"\n  slabbable","true");0<a.nVertexColors&&J.jvxl.data.JvxlCoder.addAttrib(c,"\n  nVertexColors",
""+a.nVertexColors);d=3.4028235E38==a.mappedDataMin?0:a.mappedDataMin;g=a.isColorReversed?a.valueMappedToRed:a.valueMappedToBlue;k=a.isColorReversed?a.valueMappedToBlue:a.valueMappedToRed;null!=a.jvxlColorData&&(0<a.jvxlColorData.length&&!a.isBicolorMap)&&(J.jvxl.data.JvxlCoder.addAttrib(c,"\n  dataMinimum",""+d),J.jvxl.data.JvxlCoder.addAttrib(c,"\n  dataMaximum",""+a.mappedDataMax),J.jvxl.data.JvxlCoder.addAttrib(c,"\n  valueMappedToRed",""+k),J.jvxl.data.JvxlCoder.addAttrib(c,"\n  valueMappedToBlue",
""+g));a.isContoured&&(null==a.contourValues||null==a.contourColixes?null==a.vContours&&J.jvxl.data.JvxlCoder.addAttrib(c,"\n  nContours",""+Math.abs(a.nContours)):(null!=a.jvxlPlane&&J.jvxl.data.JvxlCoder.addAttrib(c,"\n  contoured","true"),J.jvxl.data.JvxlCoder.addAttrib(c,"\n  nContours",""+a.contourValues.length),J.jvxl.data.JvxlCoder.addAttrib(c,"\n  contourValues",JU.Escape.eAF(null==a.contourValuesUsed?a.contourValues:a.contourValuesUsed)),J.jvxl.data.JvxlCoder.addAttrib(c,"\n  contourColors",
a.contourColors)),0<a.thisContour&&J.jvxl.data.JvxlCoder.addAttrib(c,"\n  thisContour",""+a.thisContour));a.insideOut&&J.jvxl.data.JvxlCoder.addAttrib(c,"\n  insideOut","true");a.vertexDataOnly?J.jvxl.data.JvxlCoder.addAttrib(c,"\n  note","vertex/face data only"):a.isXLowToHigh&&J.jvxl.data.JvxlCoder.addAttrib(c,"\n  note","progressive JVXL+ -- X values read from low(0) to high("+(a.nPointsX-1)+")");J.jvxl.data.JvxlCoder.addAttrib(c,"\n  xyzMin",JU.Escape.eP(a.boundingBox[0]));J.jvxl.data.JvxlCoder.addAttrib(c,
"\n  xyzMax",JU.Escape.eP(a.boundingBox[1]));J.jvxl.data.JvxlCoder.addAttrib(c,"\n  approximateCompressionRatio","not calculated");J.jvxl.data.JvxlCoder.addAttrib(c,"\n  jmolVersion",a.version);d=new JU.SB;JU.XmlUtil.openTagAttr(d,"jvxlSurfaceInfo",c.toArray(Array(c.size())));JU.XmlUtil.closeTag(d,"jvxlSurfaceInfo");return d.toString()},"J.jvxl.data.JvxlData,~B");c$.addAttrib=e(c$,"addAttrib",function(a,b,c){a.addLast(A(-1,[b,c]))},"JU.Lst,~S,~S");c$.jvxlEncodeContourData=e(c$,"jvxlEncodeContourData",
function(a,b){JU.XmlUtil.openTagAttr(b,"jvxlContourData",A(-1,["count",""+a.length]));for(var c=0;c<a.length;c++)if(!(6>a[c].size())){var d=a[c].get(0).intValue(),g=new JU.SB;g.append("\n");var k=a[c].get(1);J.jvxl.data.JvxlCoder.jvxlEncodeBitSetBuffer(k,d,g);JU.XmlUtil.appendTagObj(b,"jvxlContour",A(-1,["index",""+c,"value",""+a[c].get(2),"color",JU.Escape.escapeColor(a[c].get(4)[0]),"count",""+k.length(),"encoding","base90iff1","bsEncoding","base90+35c","data",J.jvxl.data.JvxlCoder.jvxlCompressString(a[c].get(5).toString(),
!0)]),J.jvxl.data.JvxlCoder.jvxlCompressString(g.toString(),!0))}JU.XmlUtil.closeTag(b,"jvxlContourData")},"~A,JU.SB");c$.set3dContourVector=e(c$,"set3dContourVector",function(a,b,c){if(!(6>a.size()))for(var d=a.get(5),g=a.get(1),k=0,h=d.length(),e=0,f=" ",n=" ",p=g.nextSetBit(0);0<=p;p=g.nextSetBit(p+1)){for(var s=b[p];k<h&&!JU.PT.isDigit(f=d.charAt(k++)););for(e=f.charCodeAt(0)-48;k<h&&JU.PT.isWhitespace(f=d.charAt(k++)););for(;k<h&&JU.PT.isWhitespace(n=d.charAt(k++)););var j=J.jvxl.data.JvxlCoder.jvxlFractionFromCharacter(f.charCodeAt(0),
35,90,0),q=J.jvxl.data.JvxlCoder.jvxlFractionFromCharacter(n.charCodeAt(0),35,90,0),z,t;0==(e&1)?(z=s[1],t=e=s[2],s=s[0]):(z=s[0],t=s[1],0!=(e&2)?(e=t,s=s[2]):(e=s[2],s=z));a.addLast(J.jvxl.data.JvxlCoder.getContourPoint(c,z,t,j));a.addLast(J.jvxl.data.JvxlCoder.getContourPoint(c,e,s,q))}},"JU.Lst,~A,~A");c$.getContourPoint=e(c$,"getContourPoint",function(a,b,c,d){var g=new JU.P3;g.sub2(a[c],a[b]);g.scaleAdd2(d,g,a[b]);return g},"~A,~N,~N,~N");c$.appendContourTriangleIntersection=e(c$,"appendContourTriangleIntersection",
function(a,b,c,d){d.appendI(a);d.appendC(J.jvxl.data.JvxlCoder.jvxlFractionAsCharacter(b));d.appendC(J.jvxl.data.JvxlCoder.jvxlFractionAsCharacter(c))},"~N,~N,~N,JU.SB");c$.jvxlCreateColorData=e(c$,"jvxlCreateColorData",function(a,b){if(null==b)a.jvxlColorData="";else{var c=a.isJvxlPrecisionColor,d=a.isTruncated,g=a.colorFractionBase,k=a.colorFractionRange,h=a.valueMappedToBlue,e=a.valueMappedToRed,f=0<a.saveVertexCount?a.saveVertexCount:a.vertexCount;f>b.length&&System.out.println("JVXLCODER ERROR");
var n=a.mappedDataMin,p=a.mappedDataMax,s=new JU.SB,j=new JU.SB;b.length<f&&System.out.println("JVXLCOLOR OHOHO");for(var q=0;q<f;q++){var z=b[q];Float.isNaN(z)&&(z=n);d&&(z=0<z?0.999:-0.999);c?J.jvxl.data.JvxlCoder.jvxlAppendCharacter2(z,n,p,g,k,s,j):s.appendC(J.jvxl.data.JvxlCoder.jvxlValueAsCharacter(z,e,h,g,k))}a.jvxlColorData=s.appendSB(j).appendC("\n").toString()}},"J.jvxl.data.JvxlData,~A");c$.appendXmlVertexOnlyData=e(c$,"appendXmlVertexOnlyData",function(a,b,c,d){var g=t(c.vc,0);J.jvxl.data.JvxlCoder.appendXmlTriangleData(a,
c.pis,c.pc,c.bsSlabDisplay,g,d)&&J.jvxl.data.JvxlCoder.appendXmlVertexData(a,b,g,c.vs,c.vvs,c.vc,c.polygonColorData,c.pc,c.bsSlabDisplay,b.vertexColors,0<b.jvxlColorData.length,d)},"JU.SB,J.jvxl.data.JvxlData,J.jvxl.data.MeshData,~B");c$.appendXmlTriangleData=e(c$,"appendXmlTriangleData",function(a,b,c,d,g,k){for(var h=new JU.SB,e=new JU.SB,f=1,n=0,p=0,s=!1,j=0,q=null!=d,z=0;z<c;)if(null==b[z]||q&&!d.get(z))z++;else{var t=b[z][n],t=0<g[t]?g[t]:g[t]=++p,w=t-f,f=t;0==w?(h.appendC("!"),s=!1):32<w?(s&&
h.appendC("+"),h.appendI(w),s=!0):-32>w?(h.appendI(w),s=!0):(h.appendC(String.fromCharCode(92+w)),s=!1);0==++n%3&&(e.appendI(b[z][3]),n=0,z++,j++)}if(0==h.length())return!0;JU.XmlUtil.appendTagObj(a,"jvxlTriangleData",A(-1,["count",""+j,"encoding","jvxltdiff","data",J.jvxl.data.JvxlCoder.jvxlCompressString(h.toString(),k)]),null);JU.XmlUtil.appendTagObj(a,"jvxlTriangleEdgeData",A(-1,["count",""+j,"encoding","jvxlsc","data",J.jvxl.data.JvxlCoder.jvxlCompressString(e.toString(),k)]),null);return!0},
"JU.SB,~A,~N,JU.BS,~A,~B");c$.appendXmlVertexData=e(c$,"appendXmlVertexData",function(a,b,c,d,g,k,h,e,f,n,p,s){var j=b.colorFractionBase,q=b.colorFractionRange,z,w=b.boundingBox[0],G=b.boundingBox[1],y=new JU.SB,F=new JU.SB,C=null,D=null!=f;if(0<e){D&&(e=f.cardinality());for(var D=!1,C=t(k,0),E=0;E<k;E++)0<c[E]&&(C[c[E]-1]=E)}for(E=c=0;E<k;E++)if(!D||f.get(E))c++,z=d[0==e?E:C[E]],J.jvxl.data.JvxlCoder.jvxlAppendCharacter2(z.x,w.x,G.x,j,q,y,F),J.jvxl.data.JvxlCoder.jvxlAppendCharacter2(z.y,w.y,G.y,
j,q,y,F),J.jvxl.data.JvxlCoder.jvxlAppendCharacter2(z.z,w.z,G.z,j,q,y,F);y.appendSB(F);JU.XmlUtil.appendTagObj(a,"jvxlVertexData",A(-1,["count",""+c,"min",JU.Escape.eP(w),"max",JU.Escape.eP(G),"encoding","base90xyz2","data",J.jvxl.data.JvxlCoder.jvxlCompressString(y.toString(),s)]),null);null!=h&&JU.XmlUtil.appendTagObj(a,"jvxlPolygonColorData",A(-1,["encoding","jvxlnc","count",""+e]),"\n"+h);if(p){y=new JU.SB;F=new JU.SB;if(null==n)for(E=0;E<k;E++){if(!D||f.get(E))J.jvxl.data.JvxlCoder.jvxlAppendCharacter2(g[0==
e?E:C[E]],b.mappedDataMin,b.mappedDataMax,j,q,y,F)}else{d=0;y.appendI(c).append(" ");for(E=0;E<k;E++)if(!D||f.get(E))g=n[0==e?E:C[E]],g==d?g=0:d=g,y.appendI(g),y.append(" ")}J.jvxl.data.JvxlCoder.appendXmlColorData(a,y.appendSB(F).append("\n").toString(),null==n,!0,b.valueMappedToRed,b.valueMappedToBlue)}},"JU.SB,J.jvxl.data.JvxlData,~A,~A,~A,~N,~S,~N,JU.BS,~A,~B,~B");c$.jvxlFractionAsCharacter=e(c$,"jvxlFractionAsCharacter",function(a){return J.jvxl.data.JvxlCoder.jvxlFractionAsCharacterRange(a,
35,90)},"~N");c$.jvxlFractionAsCharacterRange=e(c$,"jvxlFractionAsCharacterRange",function(a,b,c){0.9999<a?a=0.9999:Float.isNaN(a)&&(a=1.0001);a=F(Math.floor(a*c+b));return a<b?String.fromCharCode(b):92==a?"!":String.fromCharCode(a)},"~N,~N,~N");c$.jvxlAppendCharacter2=e(c$,"jvxlAppendCharacter2",function(a,b,c,d,g,k,h){a=b==c?a:(a-b)/(c-b);b=J.jvxl.data.JvxlCoder.jvxlFractionAsCharacterRange(a,d,g);k.appendC(b);a-=J.jvxl.data.JvxlCoder.jvxlFractionFromCharacter(b.charCodeAt(0),d,g,0);h.appendC(J.jvxl.data.JvxlCoder.jvxlFractionAsCharacterRange(a*
g,d,g))},"~N,~N,~N,~N,~N,JU.SB,JU.SB");c$.jvxlFractionFromCharacter=e(c$,"jvxlFractionFromCharacter",function(a,b,c,d){if(a==b+c)return NaN;a<b&&(a=92);a=(a-b+d)/c;return 0>a?0:1<a?0.999999:a},"~N,~N,~N,~N");c$.jvxlFractionFromCharacter2=e(c$,"jvxlFractionFromCharacter2",function(a,b,c,d){a=J.jvxl.data.JvxlCoder.jvxlFractionFromCharacter(a,c,d,0);b=J.jvxl.data.JvxlCoder.jvxlFractionFromCharacter(b,c,d,0.5);return a+b/d},"~N,~N,~N,~N");c$.jvxlValueAsCharacter=e(c$,"jvxlValueAsCharacter",function(a,
b,c,d,g){return J.jvxl.data.JvxlCoder.jvxlFractionAsCharacterRange(b==c?a:(a-b)/(c-b),d,g)},"~N,~N,~N,~N,~N");c$.jvxlValueFromCharacter2=e(c$,"jvxlValueFromCharacter2",function(a,b,c,d,g,k){a=J.jvxl.data.JvxlCoder.jvxlFractionFromCharacter2(a,b,g,k);return d==c?a:c+a*(d-c)},"~N,~N,~N,~N,~N,~N");c$.jvxlEncodeBitSet0=e(c$,"jvxlEncodeBitSet0",function(a,b,c){var d=0,g=-1,k=0;0>b&&(b=a.length());for(var h=0,e=!1,f=b-1,n=0;n<b;++n)e==a.get(n)?d++:(d==g&&n!=f?k++:(0<k&&(c.appendC(" ").appendI(-k),k=0,h++),
c.appendC(" ").appendI(d),h++,g=d),d=1,e=!e);c.appendC(" ").appendI(d).appendC("\n");return h},"JU.BS,~N,JU.SB");c$.jvxlEncodeBitSet=e(c$,"jvxlEncodeBitSet",function(a){var b=new JU.SB;J.jvxl.data.JvxlCoder.jvxlEncodeBitSetBuffer(a,-1,b);return b.toString()},"JU.BS");c$.jvxlEncodeBitSetBuffer=e(c$,"jvxlEncodeBitSetBuffer",function(a,b,c){var d=0,g=0,k=!1;0>b&&(b=a.length());if(0==b)return 0;c.append("-");for(var h=0;h<b;++h)k==a.get(h)?d++:(J.jvxl.data.JvxlCoder.jvxlAppendEncodedNumber(c,d,35,90),
g++,d=1,k=!k);J.jvxl.data.JvxlCoder.jvxlAppendEncodedNumber(c,d,35,90);c.appendC("\n");return g},"JU.BS,~N,JU.SB");c$.jvxlAppendEncodedNumber=e(c$,"jvxlAppendEncodedNumber",function(a,b,c,d){var g=b<d;for(0==b?a.appendC(String.fromCharCode(c)):g||a.appendC(String.fromCharCode(c+d));0<b;){var k=F(b/d);b=c+b-k*d;92==b&&(b=33);a.appendC(String.fromCharCode(b));b=k}g||a.append(" ")},"JU.SB,~N,~N,~N");c$.jvxlDecodeBitSetRange=e(c$,"jvxlDecodeBitSetRange",function(a,b,c){for(var d=new JU.BS,g=0,k=0,h=!1,
e=t(1,0);-2147483648!=(g=J.jvxl.data.JvxlCoder.jvxlParseEncodedInt(a,b,c,e));)h&&d.setBits(k,k+g),k+=g,h=!h;return d},"~S,~N,~N");c$.jvxlParseEncodedInt=e(c$,"jvxlParseEncodedInt",function(a,b,c,d){var g=!1,k=0,h=d[0],e=a.length;if(0>h)return-2147483648;for(;h<e&&JU.PT.isWhitespace(a.charAt(h));)++h;if(h>=e)return-2147483648;var f=1,n=a.charCodeAt(h)==b+c;for(n&&h++;h<e&&!JU.PT.isWhitespace(a.charAt(h));){g=a.charCodeAt(h);g<b&&(g=92);k+=(g-b)*f;g=!0;++h;if(!n)break;f*=c}g||(k=-2147483648);d[0]=h;
return k},"~S,~N,~N,~A");c$.jvxlDecodeBitSet=e(c$,"jvxlDecodeBitSet",function(a){if(a.startsWith("-"))return J.jvxl.data.JvxlCoder.jvxlDecodeBitSetRange(J.jvxl.data.JvxlCoder.jvxlDecompressString(a.substring(1)),35,90);for(var b=new JU.BS,c=0,d=0,g=0,k=0,h=!1,e=t(1,0);;){c=0>g++?c:JU.PT.parseIntNext(a,e);if(-2147483648==c)break;0>c?(g=c,c=d):(h&&b.setBits(k,k+c),k+=c,d=c,h=!h)}return b},"~S");c$.jvxlCompressString=e(c$,"jvxlCompressString",function(a,b){if(0<=a.indexOf("~"))return a;for(var c=new JU.SB,
d="\x00",g=!1,k=!1,h=0,e=a.length,f=0;f<=e;f++){var n=f==e?"\x00":a.charAt(f);switch(n){case "\n":case "\r":continue;case "&":case "<":g=b;break;default:g=!1}if(n==d)++h,n="\x00";else if(0<h||k){if(4>h&&!k||" "==d||"\t"==d)for(;0<=--h;)c.appendC(d);else k?k=!1:c.appendC("~"),c.appendI(h),c.appendC(" ");h=0}"\x00"!=n&&(g?(k=!0,c.appendC("~"),d=n,n=String.fromCharCode(n.charCodeAt(0)-1)):d=n,c.appendC(n))}return c.toString()},"~S,~B");c$.jvxlDecompressString=e(c$,"jvxlDecompressString",function(a){if(0>
a.indexOf("~"))return a;for(var b=new JU.SB,c="\x00",d=t(1,0),g=0;g<a.length;g++){var k=a.charAt(g);if("~"==k)switch(d[0]=++g,k=a.charAt(g)){case ";":case "%":d[0]++,b.appendC(c=String.fromCharCode(k.charCodeAt(0)+1));case "1":case "2":case "3":case "4":case "5":case "6":case "7":case "8":case "9":g=JU.PT.parseIntNext(a,d);for(k=0;k<g;k++)b.appendC(c);g=d[0];continue;case "~":--g;break;default:JU.Logger.error("Error uncompressing string "+a.substring(0,g)+"?")}b.appendC(k);c=k}return b.toString()},
"~S");c$.jvxlCreateHeaderWithoutTitleOrAtoms=e(c$,"jvxlCreateHeaderWithoutTitleOrAtoms",function(a,b){J.jvxl.data.JvxlCoder.jvxlCreateHeader(a,b)},"J.jvxl.data.VolumeData,JU.SB");c$.jvxlCreateHeader=e(c$,"jvxlCreateHeader",function(a,b){a.setVolumetricXml();0==b.length()&&b.append("Line 1\nLine 2\n")},"J.jvxl.data.VolumeData,JU.SB");X(c$,"JVXL_VERSION1","2.0","JVXL_VERSION_XML","2.3","CONTOUR_NPOLYGONS",0,"CONTOUR_BITSET",1,"CONTOUR_VALUE",2,"CONTOUR_COLIX",3,"CONTOUR_COLOR",4,"CONTOUR_FDATA",5,"CONTOUR_POINTS",
6,"defaultEdgeFractionBase",35,"defaultEdgeFractionRange",90,"defaultColorFractionBase",35,"defaultColorFractionRange",90)});I("J.jvxl.data");L(["J.api.VolumeDataInterface","JU.M3","$.P3","$.V3"],"J.jvxl.data.VolumeData",["java.lang.Float","java.util.Hashtable","JU.SB","JU.Escape","$.Logger"],function(){c$=G(function(){this.sr=null;this.doIterate=!0;this.voxelCounts=this.volumetricVectors=this.origin=this.volumetricOrigin=null;this.nPoints=0;this.volumetricVectorLengths=this.voxelMap=this.voxelData=
null;this.yzCount=this.minToPlaneDistance=this.maxVectorLength=0;this.thePlane=this.inverseMatrix=this.volumetricMatrix=this.unitVolumetricVectors=null;this.thePlaneNormalMag=0;this.mappingPlane=this.xmlData=this.ptXyzTemp=null;this.voxelVolume=this.maxGrid=this.minGrid=this.mappingPlaneNormalMag=0;this.spanningVectors=null;this.isSquared=this.isPeriodic=!1;this.ptTemp=this.edgeVector=null;K(this,arguments)},J.jvxl.data,"VolumeData",null,J.api.VolumeDataInterface);$(c$,function(){this.volumetricOrigin=
new JU.P3;this.origin=w(3,0);this.volumetricVectors=Array(3);this.voxelCounts=t(3,0);this.volumetricVectorLengths=w(3,0);this.unitVolumetricVectors=Array(3);this.volumetricMatrix=new JU.M3;this.inverseMatrix=new JU.M3;this.ptXyzTemp=new JU.P3;this.edgeVector=new JU.V3;this.ptTemp=new JU.P3});j(c$,"getVoxelData",function(){return this.voxelData});j(c$,"setVoxelDataAsArray",function(a){this.voxelData=a;null!=a&&(this.sr=null)},"~A");e(c$,"hasPlane",function(){return null!=this.thePlane});N(c$,function(){this.volumetricVectors[0]=
new JU.V3;this.volumetricVectors[1]=new JU.V3;this.volumetricVectors[2]=new JU.V3;this.unitVolumetricVectors[0]=new JU.V3;this.unitVolumetricVectors[1]=new JU.V3;this.unitVolumetricVectors[2]=new JU.V3});e(c$,"setMappingPlane",function(a){this.mappingPlane=a;null!=a&&(this.mappingPlaneNormalMag=Math.sqrt(a.x*a.x+a.y*a.y+a.z*a.z))},"JU.P4");e(c$,"distanceToMappingPlane",function(a){return(this.mappingPlane.x*a.x+this.mappingPlane.y*a.y+this.mappingPlane.z*a.z+this.mappingPlane.w)/this.mappingPlaneNormalMag},
"JU.T3");j(c$,"setVolumetricOrigin",function(a,b,c){this.volumetricOrigin.set(a,b,c)},"~N,~N,~N");j(c$,"getOriginFloat",function(){return this.origin});e(c$,"getYzCount",function(){this.minGrid=this.volumetricVectors[0].length();this.minGrid=Math.min(this.minGrid,this.volumetricVectors[1].length());this.minGrid=Math.min(this.minGrid,this.volumetricVectors[2].length());this.maxGrid=this.volumetricVectors[0].length();this.maxGrid=Math.max(this.maxGrid,this.volumetricVectors[1].length());this.maxGrid=
Math.max(this.maxGrid,this.volumetricVectors[2].length());this.nPoints=this.voxelCounts[0]*this.voxelCounts[1]*this.voxelCounts[2];return this.yzCount=this.voxelCounts[1]*this.voxelCounts[2]});j(c$,"getVolumetricVectorLengths",function(){return this.volumetricVectorLengths});j(c$,"setVolumetricVector",function(a,b,c,d){this.volumetricVectors[a].x=b;this.volumetricVectors[a].y=c;this.volumetricVectors[a].z=d;this.setUnitVectors()},"~N,~N,~N,~N");j(c$,"getVoxelCounts",function(){return this.voxelCounts});
j(c$,"setVoxelCounts",function(a,b,c){this.voxelCounts[0]=a;this.voxelCounts[1]=b;this.voxelCounts[2]=c;return a*b*c},"~N,~N,~N");e(c$,"getVoxelDataAt",function(a){var b=F(a/this.yzCount);a-=b*this.yzCount;var c=F(a/this.voxelCounts[2]);return this.voxelData[b][c][a-c*this.voxelCounts[2]]},"~N");e(c$,"getPointIndex",function(a,b,c){return a*this.yzCount+b*this.voxelCounts[2]+c},"~N,~N,~N");e(c$,"getPoint",function(a,b){var c=F(a/this.yzCount);a-=c*this.yzCount;var d=F(a/this.voxelCounts[2]);this.voxelPtToXYZ(c,
d,a-d*this.voxelCounts[2],b)},"~N,JU.P3");e(c$,"setVoxelData",function(a,b){var c=F(a/this.yzCount);a-=c*this.yzCount;var d=F(a/this.voxelCounts[2]);this.voxelData[c][d][a-d*this.voxelCounts[2]]=b},"~N,~N");e(c$,"setVoxelMap",function(){this.voxelMap=new java.util.Hashtable;this.getYzCount()});e(c$,"setMatrix",function(){for(var a=0;3>a;a++)this.volumetricMatrix.setColumnV(a,this.volumetricVectors[a]);try{this.inverseMatrix.invertM(this.volumetricMatrix)}catch(b){if(T(b,Exception))return JU.Logger.error("VolumeData error setting matrix -- bad unit vectors? "),
!1;throw b;}return!0});j(c$,"transform",function(a,b){this.volumetricMatrix.rotate2(a,b)},"JU.V3,JU.V3");j(c$,"setPlaneParameters",function(a){this.thePlane=a;this.thePlaneNormalMag=Math.sqrt(a.x*a.x+a.y*a.y+a.z*a.z)},"JU.P4");j(c$,"calcVoxelPlaneDistance",function(a,b,c){this.voxelPtToXYZ(a,b,c,this.ptXyzTemp);return this.distancePointToPlane(this.ptXyzTemp)},"~N,~N,~N");e(c$,"getToPlaneParameter",function(){return Math.sqrt(this.thePlane.x*this.thePlane.x+this.thePlane.y*this.thePlane.y+this.thePlane.z*
this.thePlane.z)*this.minToPlaneDistance});e(c$,"isNearPlane",function(a,b,c,d){this.voxelPtToXYZ(a,b,c,this.ptXyzTemp);return this.thePlane.x*this.ptXyzTemp.x+this.thePlane.y*this.ptXyzTemp.y+this.thePlane.z*this.ptXyzTemp.z+this.thePlane.w<d},"~N,~N,~N,~N");j(c$,"distancePointToPlane",function(a){return(this.thePlane.x*a.x+this.thePlane.y*a.y+this.thePlane.z*a.z+this.thePlane.w)/this.thePlaneNormalMag},"JU.T3");j(c$,"voxelPtToXYZ",function(a,b,c,d){d.scaleAdd2(a,this.volumetricVectors[0],this.volumetricOrigin);
d.scaleAdd2(b,this.volumetricVectors[1],d);d.scaleAdd2(c,this.volumetricVectors[2],d)},"~N,~N,~N,JU.T3");e(c$,"setUnitVectors",function(){this.maxVectorLength=0;this.voxelVolume=1;for(var a=0;3>a;a++){var b=this.volumetricVectorLengths[a]=this.volumetricVectors[a].length();if(0==b)return!1;b>this.maxVectorLength&&(this.maxVectorLength=b);this.voxelVolume*=b;this.unitVolumetricVectors[a].setT(this.volumetricVectors[a]);this.unitVolumetricVectors[a].normalize()}this.minToPlaneDistance=2*this.maxVectorLength;
this.origin[0]=this.volumetricOrigin.x;this.origin[1]=this.volumetricOrigin.y;this.origin[2]=this.volumetricOrigin.z;this.spanningVectors=Array(4);this.spanningVectors[0]=JU.V3.newV(this.volumetricOrigin);for(a=0;3>a;a++)b=this.spanningVectors[a+1]=new JU.V3,b.scaleAdd2(this.voxelCounts[a]-1,this.volumetricVectors[a],b);return this.setMatrix()});j(c$,"xyzToVoxelPt",function(a,b,c,d){this.ptXyzTemp.set(a,b,c);this.ptXyzTemp.sub(this.volumetricOrigin);this.inverseMatrix.rotate(this.ptXyzTemp);d.set(Math.round(this.ptXyzTemp.x),
Math.round(this.ptXyzTemp.y),Math.round(this.ptXyzTemp.z))},"~N,~N,~N,JU.T3i");j(c$,"lookupInterpolatedVoxelValue",function(a,b){if(null!=this.mappingPlane)return this.distanceToMappingPlane(a);if(null!=this.sr){var c=this.sr.getValueAtPoint(a,b);return this.isSquared?c*c:c}this.ptXyzTemp.sub2(a,this.volumetricOrigin);this.inverseMatrix.rotate(this.ptXyzTemp);var d,g=this.indexLower(this.ptXyzTemp.x,d=this.voxelCounts[0]-1),k=this.indexUpper(this.ptXyzTemp.x,g,d),h=this.indexLower(this.ptXyzTemp.y,
d=this.voxelCounts[1]-1),e=this.indexUpper(this.ptXyzTemp.y,h,d),c=this.indexLower(this.ptXyzTemp.z,d=this.voxelCounts[2]-1),f=this.indexUpper(this.ptXyzTemp.z,c,d);d=J.jvxl.data.VolumeData.getFractional2DValue(this.mantissa(this.ptXyzTemp.x-g),this.mantissa(this.ptXyzTemp.y-h),this.getVoxelValue(g,h,c),this.getVoxelValue(k,h,c),this.getVoxelValue(g,e,c),this.getVoxelValue(k,e,c));g=J.jvxl.data.VolumeData.getFractional2DValue(this.mantissa(this.ptXyzTemp.x-g),this.mantissa(this.ptXyzTemp.y-h),this.getVoxelValue(g,
h,f),this.getVoxelValue(k,h,f),this.getVoxelValue(g,e,f),this.getVoxelValue(k,e,f));return d+this.mantissa(this.ptXyzTemp.z-c)*(g-d)},"JU.T3,~B");e(c$,"mantissa",function(a){return this.isPeriodic?a-Math.floor(a):a},"~N");e(c$,"getVoxelValue",function(a,b,c){if(null==this.voxelMap)return this.voxelData[a][b][c];a=this.voxelMap.get(Integer.$valueOf(this.getPointIndex(a,b,c)));return null==a?NaN:a.floatValue()},"~N,~N,~N");c$.getFractional2DValue=e(c$,"getFractional2DValue",function(a,b,c,d,g,k){c+=
a*(d-c);return c+b*(g+a*(k-g)-c)},"~N,~N,~N,~N,~N,~N");e(c$,"indexLower",function(a,b){if(this.isPeriodic&&0<b){for(;0>a;)a+=b;for(;a>=b;)a-=b;return F(Math.floor(a))}if(0>a)return 0;var c=F(Math.floor(a));return c>b?b:c},"~N,~N");e(c$,"indexUpper",function(a,b,c){return!this.isPeriodic&&0>a||b==c?b:b+1},"~N,~N,~N");e(c$,"offsetCenter",function(a){var b=new JU.P3;b.scaleAdd2((this.voxelCounts[0]-1)/2,this.volumetricVectors[0],b);b.scaleAdd2((this.voxelCounts[1]-1)/2,this.volumetricVectors[1],b);b.scaleAdd2((this.voxelCounts[2]-
1)/2,this.volumetricVectors[2],b);this.volumetricOrigin.sub2(a,b)},"JU.P3");j(c$,"setDataDistanceToPlane",function(a){this.setPlaneParameters(a);a=this.voxelCounts[0];var b=this.voxelCounts[1],c=this.voxelCounts[2];this.voxelData=w(a,b,c,0);for(var d=0;d<a;d++)for(var g=0;g<b;g++)for(var k=0;k<c;k++)this.voxelData[d][g][k]=this.calcVoxelPlaneDistance(d,g,k)},"JU.P4");j(c$,"filterData",function(a,b){var c=!Float.isNaN(b);if(null!=this.sr)this.isSquared=a;else{var d=this.voxelCounts[0],g=this.voxelCounts[1],
k=this.voxelCounts[2];if(a)for(var h=0;h<d;h++)for(var e=0;e<g;e++)for(var f=0;f<k;f++)this.voxelData[h][e][f]*=this.voxelData[h][e][f];if(c)for(h=0;h<d;h++)for(e=0;e<g;e++)for(f=0;f<k;f++)this.voxelData[h][e][f]=b-this.voxelData[h][e][f]}},"~B,~N");j(c$,"capData",function(a,b){if(null!=this.voxelData){var c=this.voxelCounts[0],d=this.voxelCounts[1],g=this.voxelCounts[2],k=JU.V3.new3(a.x,a.y,a.z);k.normalize();for(var h=0;h<c;h++)for(var e=0;e<d;e++)for(var f=0;f<g;f++){var n=this.voxelData[h][e][f]-
b;this.voxelPtToXYZ(h,e,f,this.ptXyzTemp);var p=(this.ptXyzTemp.x*k.x+this.ptXyzTemp.y*k.y+this.ptXyzTemp.z*k.z+a.w-b)/1;if(0<=p||p>n)this.voxelData[h][e][f]=p}}},"JU.P4,~N");e(c$,"setVolumetricXml",function(){var a=new JU.SB;if(0==this.voxelCounts[0])a.append("<jvxlVolumeData>\n");else{a.append('<jvxlVolumeData origin="'+JU.Escape.eP(this.volumetricOrigin)+'">\n');for(var b=0;3>b;b++)a.append('<jvxlVolumeVector type="'+b+'" count="'+this.voxelCounts[b]+'" vector="'+JU.Escape.eP(this.volumetricVectors[b])+
'"></jvxlVolumeVector>\n')}a.append("</jvxlVolumeData>\n");return this.xmlData=a.toString()});e(c$,"setVoxelMapValue",function(a,b,c,d){null!=this.voxelMap&&this.voxelMap.put(Integer.$valueOf(this.getPointIndex(a,b,c)),Float.$valueOf(d))},"~N,~N,~N,~N");e(c$,"calculateFractionalPoint",function(a,b,c,d,g,k){var e=g-d,f=(a-d)/e;this.edgeVector.sub2(c,b);k.scaleAdd2(f,this.edgeVector,b);if(null==this.sr||!this.doIterate||g==d||0.01>f||0.99<f||0.01>this.edgeVector.length())return a;b=0;this.ptTemp.setT(k);
c=this.lookupInterpolatedVoxelValue(this.ptTemp,!1);for(g=NaN;10>++b;){var m=(c-d)/e;if(0>m||1<m)break;m=(a-c)/e/2;f+=m;if(0>f||1<f)break;k.setT(this.ptTemp);g=c;if(0.005>Math.abs(m))break;this.ptTemp.scaleAdd2(m,this.edgeVector,k);c=this.lookupInterpolatedVoxelValue(this.ptTemp,!1)}return g},"~N,JU.P3,JU.P3,~N,~N,JU.P3")});I("J.jvxl.data");L(null,"J.jvxl.data.JvxlData",["java.lang.Float","JU.SB","J.jvxl.data.JvxlCoder"],function(){c$=G(function(){this.msg="";this.wasCubic=this.wasJvxl=!1;this.jvxlPlane=
this.jvxlExcluded=this.jvxlVolumeDataXml=this.jvxlColorData=this.jvxlEdgeData=this.jvxlSurfaceData=this.jvxlFileMessage=this.jvxlFileTitle=null;this.isColorReversed=this.jvxlDataIsColorDensity=this.jvxlDataIs2dContour=this.jvxlDataIsColorMapped=this.isJvxlPrecisionColor=!1;this.thisSet=-2147483648;this.edgeFractionBase=35;this.edgeFractionRange=90;this.colorFractionBase=35;this.colorFractionRange=90;this.vertexDataOnly=this.isCutoffAbsolute=this.isTruncated=this.isBicolorMap=this.isContoured=this.isXLowToHigh=
this.insideOut=this.dataXYReversed=!1;this.vertexCount=this.nSurfaceInts=this.nEdges=this.nContours=this.nBytes=this.nPointsZ=this.nPointsY=this.nPointsX=this.pointsPerAngstrom=this.cutoff=this.valueMappedToBlue=this.valueMappedToRed=this.mappedDataMax=this.mappedDataMin=0;this.contourValuesUsed=this.contourValues=this.contourColors=this.contourColixes=this.vContours=null;this.thisContour=-1;this.scale3d=0;this.minColorIndex=-1;this.maxColorIndex=0;this.boundingBox=this.version=this.title=null;this.excludedVertexCount=
this.excludedTriangleCount=0;this.colorDensity=!1;this.pointSize=0;this.moleculeXml=null;this.saveVertexCount=this.dataMax=this.dataMin=0;this.vertexColorMap=null;this.nVertexColors=0;this.meshColor=this.color=this.vertexColors=null;this.translucency=0;this.rendering=this.colorScheme=null;this.slabValue=-2147483648;this.isSlabbable=!1;this.diameter=0;this.slabInfo=null;this.allowVolumeRender=!1;this.voxelVolume=0;this.baseColor=this.fixedLattice=this.mapLattice=null;K(this,arguments)},J.jvxl.data,
"JvxlData");$(c$,function(){this.jvxlExcluded=Array(4)});N(c$,function(){});e(c$,"clear",function(){this.allowVolumeRender=!0;this.jvxlVolumeDataXml=this.jvxlColorData=this.jvxlEdgeData=this.jvxlSurfaceData="";this.colorScheme=this.color=null;this.colorDensity=!1;this.pointSize=NaN;this.contourColors=this.contourColixes=this.contourValuesUsed=this.contourValues=null;this.isSlabbable=!1;this.meshColor=this.mapLattice=null;this.msg="";this.nVertexColors=this.nPointsX=0;this.slabInfo=this.fixedLattice=
null;this.thisSet=this.slabValue=-2147483648;this.rendering=null;this.thisContour=-1;this.translucency=0;this.vertexColors=this.vertexColorMap=this.vContours=null;this.voxelVolume=0});e(c$,"setSurfaceInfo",function(a,b,c,d){this.jvxlSurfaceData=d;0==this.jvxlSurfaceData.indexOf("--")&&(this.jvxlSurfaceData=this.jvxlSurfaceData.substring(2));this.jvxlPlane=a;this.mapLattice=b;this.nSurfaceInts=c},"JU.P4,JU.P3,~N,~S");e(c$,"setSurfaceInfoFromBitSet",function(a,b){this.setSurfaceInfoFromBitSetPts(a,
b,null)},"JU.BS,JU.P4");e(c$,"setSurfaceInfoFromBitSetPts",function(a,b,c){var d=new JU.SB;a=null!=b?0:J.jvxl.data.JvxlCoder.jvxlEncodeBitSetBuffer(a,this.nPointsX*this.nPointsY*this.nPointsZ,d);this.setSurfaceInfo(b,c,a,d.toString())},"JU.BS,JU.P4,JU.P3");e(c$,"jvxlUpdateInfo",function(a,b){this.title=a;this.nBytes=b},"~A,~N");c$.updateSurfaceData=e(c$,"updateSurfaceData",function(a,b,c,d,g){if(0==a.length)return"";a=a.toCharArray();for(var e=0,h=0;e<c;e+=d,h++)Float.isNaN(b[e])&&(a[h]=g);return String.copyValueOf(a)},
"~S,~A,~N,~N,~S")});I("J.jvxl.data");L(["JU.MeshSurface"],"J.jvxl.data.MeshData",["java.lang.Float","java.util.Arrays","JU.AU","$.BS","$.V3"],function(){c$=G(function(){this.setsSuccessful=!1;this.vertexIncrement=1;this.polygonColorData=null;na("J.jvxl.data.MeshData.SSet")||J.jvxl.data.MeshData.$MeshData$SSet$();na("J.jvxl.data.MeshData.SortSet")||J.jvxl.data.MeshData.$MeshData$SortSet$();K(this,arguments)},J.jvxl.data,"MeshData",JU.MeshSurface);e(c$,"addVertexCopy",function(a,b,c,d){0>c&&(this.vertexIncrement=
-c);return this.addVCVal(a,b,d)},"JU.T3,~N,~N,~B");e(c$,"getSurfaceSet",function(){return null==this.surfaceSet?this.getSurfaceSetForLevel(0):this.surfaceSet});e(c$,"getSurfaceSetForLevel",function(a){0==a&&(this.surfaceSet=Array(100),this.nSets=0);this.setsSuccessful=!0;for(var b=0;b<this.pc;b++)if(null!=this.pis[b]&&(null==this.bsSlabDisplay||this.bsSlabDisplay.get(b))){var c=this.pis[b],d=this.findSet(c[0]),g=this.findSet(c[1]),e=this.findSet(c[2]);0>d&&0>g&&0>e?this.createSet(c[0],c[1],c[2]):
d==g&&g==e||(0<=d?(this.surfaceSet[d].set(c[1]),this.surfaceSet[d].set(c[2]),0<=g&&g!=d&&this.mergeSets(d,g),0<=e&&(e!=d&&e!=g)&&this.mergeSets(d,e)):0<=g?(this.surfaceSet[g].set(c[0]),this.surfaceSet[g].set(c[2]),0<=e&&e!=g&&this.mergeSets(g,e)):(this.surfaceSet[e].set(c[0]),this.surfaceSet[e].set(c[1])))}for(b=c=0;b<this.nSets;b++)null!=this.surfaceSet[b]&&c++;d=Array(this.surfaceSet.length);for(b=c=0;b<this.nSets;b++)null!=this.surfaceSet[b]&&(d[c++]=this.surfaceSet[b]);this.nSets=c;this.surfaceSet=
d;!this.setsSuccessful&&2>a&&this.getSurfaceSetForLevel(a+1);if(0==a){a=Array(this.nSets);for(b=0;b<this.nSets;b++)a[b]=ma(J.jvxl.data.MeshData.SSet,this,null,this.surfaceSet[b]);java.util.Arrays.sort(a,ma(J.jvxl.data.MeshData.SortSet,this,null));for(b=0;b<this.nSets;b++)this.surfaceSet[b]=a[b].bs;this.setVertexSets(!1)}return this.surfaceSet},"~N");e(c$,"setVertexSets",function(a){if(null!=this.surfaceSet){for(var b=0,c=0;c<this.nSets;c++)null!=this.surfaceSet[c]&&0>this.surfaceSet[c].nextSetBit(0)&&
(this.surfaceSet[c]=null),null==this.surfaceSet[c]&&b++;if(0<b){a=Array(this.nSets-b);for(var d=c=0;c<this.nSets;c++)null!=this.surfaceSet[c]&&(a[d++]=this.surfaceSet[c]);this.surfaceSet=a;this.nSets-=b}else if(a)return;this.vertexSets=t(this.vc,0);for(c=0;c<this.nSets;c++)for(b=this.surfaceSet[c].nextSetBit(0);0<=b;b=this.surfaceSet[c].nextSetBit(b+1))this.vertexSets[b]=c}},"~B");e(c$,"findSet",function(a){for(var b=0;b<this.nSets;b++)if(null!=this.surfaceSet[b]&&this.surfaceSet[b].get(a))return b;
return-1},"~N");e(c$,"createSet",function(a,b,c){var d;for(d=0;d<this.nSets&&null!=this.surfaceSet[d];d++);d==this.surfaceSet.length&&(this.surfaceSet=JU.AU.ensureLength(this.surfaceSet,this.surfaceSet.length+100));this.surfaceSet[d]=new JU.BS;this.surfaceSet[d].set(a);this.surfaceSet[d].set(b);this.surfaceSet[d].set(c);d==this.nSets&&this.nSets++},"~N,~N,~N");e(c$,"mergeSets",function(a,b){this.surfaceSet[a].or(this.surfaceSet[b]);this.surfaceSet[b]=null},"~N,~N");e(c$,"invalidateSurfaceSet",function(a){for(var b=
this.surfaceSet[a].nextSetBit(0);0<=b;b=this.surfaceSet[a].nextSetBit(b+1))this.vvs[b]=NaN;this.surfaceSet[a]=null},"~N");c$.checkCutoff=e(c$,"checkCutoff",function(a,b,c,d){if(0>a||0>b||0>c)return!1;a=d[a];b=d[b];c=d[c];return 0<=a&&0<=b&&0<=c||0>=a&&0>=b&&0>=c},"~N,~N,~N,~A");c$.calculateVolumeOrArea=e(c$,"calculateVolumeOrArea",function(a,b,c,d){(d||0>=a.nSets)&&a.getSurfaceSet();for(var g=(d=-1<=b)||0>=a.nSets?1:a.nSets,e=Ya(g,0),h=new JU.V3,f=new JU.V3,m=new JU.V3,n=a.pc;0<=--n;)if(null!=a.setABC(n)){var p=
0>=a.nSets?0:a.vertexSets[a.iA];0<=b&&p!=b||(c?(h.sub2(a.vs[a.iB],a.vs[a.iA]),f.sub2(a.vs[a.iC],a.vs[a.iA]),m.cross(h,f),e[d?0:p]+=m.length()):(h.setT(a.vs[a.iB]),f.setT(a.vs[a.iC]),m.cross(h,f),f.setT(a.vs[a.iA]),e[d?0:p]+=f.dot(m)))}a=c?2:6;for(n=0;n<g;n++)e[n]/=a;return d?Float.$valueOf(e[0]):e},"J.jvxl.data.MeshData,~N,~B,~B");e(c$,"updateInvalidatedVertices",function(a){a.clearAll();for(var b=0;b<this.vc;b+=this.vertexIncrement)Float.isNaN(this.vvs[b])&&a.set(b)},"JU.BS");e(c$,"invalidateVertices",
function(a){for(var b=a.nextSetBit(0);0<=b;b=a.nextSetBit(b+1))this.vvs[b]=NaN},"JU.BS");c$.$MeshData$SSet$=function(){ga(self.c$);c$=G(function(){oa(this,arguments);this.bs=null;this.n=0;K(this,arguments)},J.jvxl.data.MeshData,"SSet");N(c$,function(a){this.bs=a;this.n=a.cardinality()},"JU.BS");c$=fa()};c$.$MeshData$SortSet$=function(){ga(self.c$);c$=G(function(){oa(this,arguments);K(this,arguments)},J.jvxl.data.MeshData,"SortSet",null,java.util.Comparator);j(c$,"compare",function(a,b){return a.n>
b.n?-1:a.n<b.n?1:0},"J.jvxl.data.MeshData.SSet,J.jvxl.data.MeshData.SSet");c$=fa()};X(c$,"MODE_GET_VERTICES",1,"MODE_GET_COLOR_INDEXES",2,"MODE_PUT_SETS",3,"MODE_PUT_VERTICES",4)});I("J.jvxl.readers");L(null,"J.jvxl.readers.XmlReader",["JU.P3","$.PT","$.SB","$.XmlUtil","JU.Escape"],function(){c$=G(function(){this.line=this.br=null;K(this,arguments)},J.jvxl.readers,"XmlReader");e(c$,"getLine",function(){return this.line});N(c$,function(a){this.br=a},"java.io.BufferedReader");e(c$,"toTag",function(a){this.skipTo("<"+
a);if(null==this.line)return"";var b=this.line.indexOf("<"+a)+a.length+1;if(b==this.line.length||" "==this.line.charAt(b)||">"==this.line.charAt(b))return this.line;this.line=null;return this.toTag(a)},"~S");e(c$,"skipTag",function(a){this.skipTo("</"+a+">")},"~S");e(c$,"getXmlData",function(a,b,c,d){var g="</"+a+">";a="<"+a;if(null==b){b=new JU.SB;try{null==this.line&&(this.line=this.br.readLine());for(;0>this.line.indexOf(a);)this.line=this.br.readLine()}catch(e){if(T(e,Exception))return null;throw e;
}b.append(this.line);var h=!1,f=this.line.indexOf("/>"),m=this.line.indexOf(">");if(0>m||f==m-1)h=d;for(;0>this.line.indexOf(g)&&(!h||0>this.line.indexOf("/>"));)b.append(this.line=this.br.readLine());b=b.toString()}return J.jvxl.readers.XmlReader.extractTag(b,a,g,c)},"~S,~S,~B,~B");c$.extractTagOnly=e(c$,"extractTagOnly",function(a,b){return J.jvxl.readers.XmlReader.extractTag(a,"<"+b+">","</"+b+">",!1)},"~S,~S");c$.extractTag=e(c$,"extractTag",function(a,b,c,d){b=a.indexOf(b);if(0>b)return"";var g=
a.indexOf(c,b);0>g&&(g=a.indexOf("/>",b),c="/>");if(0>g)return"";if(d)return g+=c.length,a.substring(b,g);for(c=!1;b<g;b++)if('"'==(d=a.charAt(b)))c=!c;else if(c&&"\\"==d)b++;else if(!c&&(">"==d||"/"==d))break;if(b>=g)return"";for(;JU.PT.isWhitespace(a.charAt(++b)););return JU.XmlUtil.unwrapCdata(a.substring(b,g))},"~S,~S,~S,~B");c$.getXmlAttrib=e(c$,"getXmlAttrib",function(a,b){var c=t(1,0),d=J.jvxl.readers.XmlReader.setNext(a,b,c,1);if(2>d||2>(d=J.jvxl.readers.XmlReader.setNext(a,'"',c,0)))return"";
c=J.jvxl.readers.XmlReader.setNext(a,'"',c,-1);return 0>=c?"":a.substring(d,c)},"~S,~S");e(c$,"getXmlPoint",function(a,b){var c=J.jvxl.readers.XmlReader.getXmlAttrib(a,b).$replace("(","{").$replace(")","}"),c=JU.Escape.uP(c);return U(c,JU.P3)?c:new JU.P3},"~S,~S");c$.setNext=e(c$,"setNext",function(a,b,c,d){var g=c[0];if(0>g||0>(g=a.indexOf(b,c[0])))return-1;g+=b.length;c[0]=g+d;return 0<d&&g<a.length&&"="!=a.charAt(g)?J.jvxl.readers.XmlReader.setNext(a,b,c,d):c[0]},"~S,~S,~A,~N");e(c$,"skipTo",function(a){null==
this.line&&(this.line=this.br.readLine());for(;null!=this.line&&0>this.line.indexOf(a);)this.line=this.br.readLine()},"~S");e(c$,"isNext",function(a){if(null==this.line||0<=this.line.indexOf("</")&&this.line.indexOf("</")==this.line.indexOf("<"))this.line=this.br.readLine();return 0<=this.line.indexOf("<"+a)},"~S")});I("J.jvxl.readers");L(["JU.P3","$.V3"],"J.jvxl.readers.SurfaceGenerator","java.lang.Float java.util.Map JU.AU $.BS $.Measure $.P4 $.PT $.Rdr J.jvxl.data.JvxlCoder $.JvxlData $.MeshData $.VolumeData J.jvxl.readers.Parameters $.SurfaceReader JU.Logger JV.FileManager".split(" "),
function(){c$=G(function(){this.version=this.marchingSquares=this.atomDataServer=this.meshDataServer=this.volumeDataTemp=this.meshData=this.jvxlData=this.params=null;this.isValid=!0;this.bsVdw=this.fileType=null;this.colorPtr=0;this.ptRef=this.vNorm=this.vAB=this.readerData=this.out=this.surfaceReader=null;K(this,arguments)},J.jvxl.readers,"SurfaceGenerator");$(c$,function(){this.vAB=new JU.V3;this.vNorm=new JU.V3;this.ptRef=JU.P3.new3(0,0,1E15)});N(c$,function(a,b,c,d){this.atomDataServer=a;this.meshDataServer=
b;this.params=new J.jvxl.readers.Parameters;this.meshData=null==c?new J.jvxl.data.MeshData:c;this.jvxlData=null==d?new J.jvxl.data.JvxlData:d;this.volumeDataTemp=new J.jvxl.data.VolumeData;this.initializeIsosurface()},"J.atomdata.AtomDataServer,J.jvxl.api.MeshDataServer,J.jvxl.data.MeshData,J.jvxl.data.JvxlData");e(c$,"setJvxlData",function(a){this.jvxlData=a;null!=a&&(a.version=this.version)},"J.jvxl.data.JvxlData");e(c$,"isInsideOut",function(){return this.params.insideOut!=this.params.dataXYReversed});
e(c$,"isFullyLit",function(){return null!=this.params.thePlane||this.params.fullyLit});e(c$,"setProp",function(a,b){if("debug"===a){var c=b.booleanValue();this.params.logMessages=c;this.params.logCube=c;return!0}if("init"===a)return this.initializeIsosurface(),U(b,J.jvxl.readers.Parameters)?this.params=b:(this.params.script=b,null!=this.params.script&&0<=this.params.script.indexOf(";#")&&(this.params.script=JU.PT.rep(this.params.script,";#","; #"))),!1;if("map"===a)return this.params.resetForMapping(b.booleanValue()),
null!=this.surfaceReader&&(this.surfaceReader.minMax=null),!0;if("finalize"===a)return this.initializeIsosurface(),!0;if("clear"===a)return null!=this.surfaceReader&&this.surfaceReader.discardTempData(!0),!1;if("fileIndex"===a)return this.params.fileIndex=b.intValue(),0>this.params.fileIndex&&(this.params.fileIndex=0),this.params.readAllData=!1,!0;if("blockData"===a)return this.params.blockCubeData=b.booleanValue(),!0;if("withinPoints"===a)return this.params.boundingBox=b[1],!0;if("boundingBox"===
a)return this.params.boundingBox=A(-1,[JU.P3.newP(b[0]),JU.P3.newP(b[b.length-1])]),!0;if("func"===a)return this.params.func=b,!0;if("intersection"===a)return this.params.intersection=b,!0;if("bsSolvent"===a)return this.params.bsSolvent=b,!0;if("select"===a)return this.params.bsSelected=b,!0;if("ignore"===a)return this.params.bsIgnore=b,!0;if("propertySmoothing"===a)return this.params.propertySmoothing=b.booleanValue(),!0;if("propertyDistanceMax"===a)return this.params.propertyDistanceMax=b.floatValue(),
!0;if("propertySmoothingPower"===a)return this.params.propertySmoothingPower=b.intValue(),!0;if("title"===a){if(null==b)this.params.title=null;else if(JU.AU.isAS(b)){this.params.title=b;for(var d=0;d<this.params.title.length;d++)0<this.params.title[d].length&&JU.Logger.info(this.params.title[d])}return!0}if("sigma"===a)return this.params.cutoff=this.params.sigma=b.floatValue(),this.params.isPositiveOnly=!1,this.params.cutoffAutomatic=!1,!0;if("cutoff"===a)return this.params.cutoff=b.floatValue(),
this.params.isPositiveOnly=!1,this.params.cutoffAutomatic=!1,!0;if("parameters"===a)return this.params.parameters=JU.AU.ensureLengthA(b,2),0<this.params.parameters.length&&0!=this.params.parameters[0]&&(this.params.cutoff=this.params.parameters[0]),!0;if("cutoffPositive"===a)return this.params.cutoff=b.floatValue(),this.params.isPositiveOnly=!0;if("cap"===a||"slab"===a)return null!=b&&this.params.addSlabInfo(b),!0;if("scale"===a)return this.params.scale=b.floatValue(),!0;if("scale3d"===a)return this.params.scale3d=
b.floatValue(),!0;if("angstroms"===a)return this.params.isAngstroms=!0;if("resolution"===a)return c=b.floatValue(),this.params.resolution=0<c?c:3.4028235E38,!0;if("downsample"===a)return c=b.intValue(),this.params.downsampleFactor=0<=c?c:0,!0;if("anisotropy"===a)return 0==(this.params.dataType&32)&&this.params.setAnisotropy(b),!0;if("eccentricity"===a)return this.params.setEccentricity(b),!0;if("addHydrogens"===a)return this.params.addHydrogens=b.booleanValue(),!0;if("squareData"===a)return this.params.isSquared=
null==b?!1:b.booleanValue(),!0;if("squareLinear"===a)return this.params.isSquaredLinear=null==b?!1:b.booleanValue(),!0;if("gridPoints"===a)return this.params.iAddGridPoints=!0;if("atomIndex"===a)return this.params.atomIndex=b.intValue(),!0;if("insideOut"===a)return this.params.insideOut=!0;if("sign"===a)return this.params.isCutoffAbsolute=!0,this.params.colorBySign=!0,this.colorPtr=0,!0;if("colorRGB"===a)return c=b.intValue(),this.params.colorRgb=this.params.colorPos=this.params.colorPosLCAO=c,0==
this.colorPtr++?this.params.colorNeg=this.params.colorNegLCAO=c:this.params.colorRgb=2147483647,!0;if("monteCarloCount"===a)return this.params.psi_monteCarloCount=b.intValue(),!0;if("rangeAll"===a)return this.params.rangeAll=!0;if("rangeSelected"===a)return this.params.rangeSelected=!0;if("red"===a)return this.params.valueMappedToRed=b.floatValue(),!0;if("blue"===a)return this.params.valueMappedToBlue=b.floatValue(),this.params.valueMappedToRed>this.params.valueMappedToBlue&&(c=this.params.valueMappedToRed,
this.params.valueMappedToRed=this.params.valueMappedToBlue,this.params.valueMappedToBlue=c,this.params.isColorReversed=!this.params.isColorReversed),this.params.rangeDefined=!0,this.params.rangeAll=!1,!0;if("reverseColor"===a)return this.params.isColorReversed=!0;if("setColorScheme"===a)return this.getSurfaceSets(),this.params.colorBySets=!0,this.mapSurface(),!0;if("center"===a)return this.params.center.setT(b),!0;if("origin"===a)return this.params.origin=b,!0;if("step"===a)return this.params.steps=
b,!0;if("point"===a)return this.params.points=b,!0;if("withinDistance"===a)return this.params.distance=b.floatValue(),!0;if("withinPoint"===a)return this.params.point=b,!0;if("progressive"===a)return this.params.isXLowToHigh=!0;if("phase"===a)return this.params.isCutoffAbsolute=!0,this.params.colorBySign=!0,this.params.colorByPhase=!0,this.params.colorPhase=J.jvxl.readers.SurfaceReader.getColorPhaseIndex(b),0>this.params.colorPhase&&(JU.Logger.warn(" invalid color phase: "+b),this.params.colorPhase=
0),this.params.colorByPhase=0!=this.params.colorPhase,2<=this.params.state&&(this.params.dataType=this.params.surfaceType,this.params.state=3,this.params.isBicolorMap=!0,this.surfaceReader.applyColorScale()),!0;if("radius"===a)return JU.Logger.info("solvent probe radius set to "+b),this.params.atomRadiusData=b,!0;if("envelopeRadius"===a)return this.params.envelopeRadius=b.floatValue(),!0;if("cavityRadius"===a)return this.params.cavityRadius=b.floatValue(),!0;if("cavity"===a)return this.params.isCavity=
!0;if("doFullMolecular"===a)return this.params.doFullMolecular=!0;if("pocket"===a)return this.params.pocket=b,this.params.fullyLit=this.params.pocket.booleanValue(),!0;if("minset"===a)return this.params.minSet=b.intValue(),!0;if("maxset"===a)return this.params.maxSet=b.intValue(),!0;if("plane"===a)return this.params.setPlane(b),!0;if("contour"===a){this.params.isContoured=!0;if(JU.AU.isAF(b))this.params.contoursDiscrete=b,this.params.nContours=this.params.contoursDiscrete.length;else if(U(b,JU.P3)){var c=
this.params.contourIncrements=b,d=c.x,g=c.y,e=c.z;0>=e&&(e=1);for(var c=0,h=d;h<=g+e/10;h+=e,c++);this.params.contoursDiscrete=w(c,0);h=d;for(d=0;d<c;d++,h+=e)this.params.contoursDiscrete[d]=h;this.params.nContours=c}else c=b.intValue(),this.params.thisContour=0,0==c?this.params.nContours=9:0<c?this.params.nContours=c:this.params.thisContour=-c;return!0}if("colorDiscrete"===a)return this.params.contourColixes=b,!0;if("colorDensity"===a)return this.params.colorDensity=!0,null!=b&&(this.params.pointSize=
b.floatValue()),!1;if("fullPlane"===a)return this.params.contourFromZero=!b.booleanValue(),!0;if("mapLattice"===a)return this.params.mapLattice=b,!0;if("extendGrid"===a)return this.params.extendGrid=b.floatValue(),!0;if("property"===a)return this.params.dataType=1206,this.params.theProperty=b,this.mapSurface(),!0;if("sphere"===a)return this.params.setSphere(b.floatValue(),!1),this.readerData=Float.$valueOf(this.params.distance),this.surfaceReader=this.newReader("IsoShapeReader"),this.generateSurface(),
!0;if("geodesic"===a)return this.params.setSphere(b.floatValue(),!0),this.readerData=Float.$valueOf(this.params.distance),this.surfaceReader=this.newReader("IsoShapeReader"),this.generateSurface(),!0;if("ellipsoid"===a){if(U(b,JU.P4))this.params.setEllipsoidP4(b);else if(JU.AU.isAF(b))this.params.setEllipsoidAF(b);else return!0;this.readerData=Float.$valueOf(this.params.distance);this.surfaceReader=this.newReader("IsoShapeReader");this.generateSurface();return!0}if("ellipsoid3"===a)return this.params.setEllipsoidAF(b),
this.readerData=Float.$valueOf(this.params.distance),this.surfaceReader=this.newReader("IsoShapeReader"),this.generateSurface(),!0;if("lp"===a)return this.params.setLp(b),this.readerData=w(-1,[3,2,0,15,0]),this.surfaceReader=this.newReader("IsoShapeReader"),this.generateSurface(),!0;if("rad"===a)return this.params.setRadical(b),this.readerData=w(-1,[3,2,0,15,0]),this.surfaceReader=this.newReader("IsoShapeReader"),this.generateSurface(),!0;if("lobe"===a)return this.params.setLobe(b),this.readerData=
w(-1,[3,2,0,15,0]),this.surfaceReader=this.newReader("IsoShapeReader"),this.generateSurface(),!0;if("hydrogenOrbital"===a){if(!this.params.setAtomicOrbital(b))return this.isValid=!1,!0;this.readerData=w(-1,[this.params.psi_n,this.params.psi_l,this.params.psi_m,this.params.psi_Znuc,this.params.psi_monteCarloCount]);this.surfaceReader=this.newReader("IsoShapeReader");this.processState();return!0}if("functionXY"===a)return this.params.setFunctionXY(b),this.params.isContoured&&this.volumeDataTemp.setPlaneParameters(null==
this.params.thePlane?this.params.thePlane=JU.P4.new4(0,0,1,0):this.params.thePlane),0<=this.params.functionInfo.get(0).indexOf("_xyz")&&this.getFunctionZfromXY(),this.processState(),!0;if("functionXYZ"===a)return this.params.setFunctionXYZ(b),this.processState(),!0;if("lcaoType"===a)return this.params.setLcao(b,this.colorPtr),!0;if("lcaoCartoonCenter"===a){if(2!=++this.params.state)return!0;Float.isNaN(this.params.center.x)&&this.params.center.setT(b);return!1}if("molecular"===a||"solvent"===a||"sasurface"===
a||"nomap"===a)return this.params.setSolvent(a,b.floatValue()),JU.Logger.info(this.params.calculationType),this.processState(),!0;if("moData"===a)return this.params.moData=b,!0;if("mepCalcType"===a)return this.params.mep_calcType=b.intValue(),!0;if("mep"===a)return this.params.setMep(b,!1),this.processState(),!0;if("mlp"===a)return this.params.setMep(b,!0),this.processState(),!0;if("nci"===a)return c=b.booleanValue(),this.params.setNci(c),c&&this.processState(),!0;if("calculationType"===a)return this.params.calculationType=
b,!0;if("charges"===a)return this.params.theProperty=b,!0;if("randomSeed"===a)return this.params.randomSeed=b.intValue(),!0;if("molecularOrbital"===a)return c=0,d=null,U(b,Integer)?c=b.intValue():d=b,this.params.setMO(c,d),JU.Logger.info(this.params.calculationType),this.processState(),!0;if("fileType"===a)return this.fileType=b,!0;if("fileName"===a)return this.params.fileName=b,!0;if("outputChannel"===a)return this.out=b,!0;if("readFile"===a){if(null==(this.surfaceReader=this.setFileData(this.atomDataServer,
b)))return JU.Logger.error("Could not set the surface data"),!0;this.surfaceReader.setOutputChannel(this.out);this.generateSurface();return!0}if("mapColor"===a){if(null==(this.surfaceReader=this.setFileData(this.atomDataServer,b)))return JU.Logger.error("Could not set the mapping data"),!0;this.surfaceReader.setOutputChannel(this.out);this.mapSurface();return!0}if("getSurfaceSets"===a)return this.getSurfaceSets(),!0;"periodic"===a&&(this.params.isPeriodic=!0);return!1},"~S,~O,JU.BS");e(c$,"newReader",
function(a){a=J.jvxl.readers.SurfaceGenerator.getInterface(a);null!=a&&a.init(this);return a},"~S");e(c$,"newReaderBr",function(a,b){var c=J.jvxl.readers.SurfaceGenerator.getInterface(a);null!=c&&c.init2(this,b);return c},"~S,java.io.BufferedReader");c$.getInterface=e(c$,"getInterface",function(a){try{var b=Wa._4Name("J.jvxl.readers."+a);return null==b?null:b.newInstance()}catch(c){if(T(c,Exception))return JU.Logger.error("Interface.java Error creating instance for "+a+": \n"+c.toString()),null;throw c;
}},"~S");e(c$,"getSurfaceSets",function(){null==this.meshDataServer?this.meshData.getSurfaceSet():(this.meshDataServer.fillMeshData(this.meshData,1,null),this.meshData.getSurfaceSet(),this.meshDataServer.fillMeshData(this.meshData,3,null))});e(c$,"processState",function(){1==this.params.state&&null!=this.params.thePlane&&this.params.state++;2<=this.params.state?this.mapSurface():this.generateSurface()});e(c$,"setReader",function(){this.readerData=null;if(null!=this.surfaceReader)return!this.surfaceReader.vertexDataOnly;
switch(this.params.dataType){case 1205:this.surfaceReader=this.newReader("IsoPlaneReader");break;case 1206:this.surfaceReader=this.newReader("AtomPropertyMapper");break;case 1328:case 1329:this.readerData=1328==this.params.dataType?"Mep":"Mlp";this.surfaceReader=3==this.params.state?this.newReader("AtomPropertyMapper"):this.newReader("Iso"+this.readerData+"Reader");break;case 1333:this.surfaceReader=this.newReader("IsoIntersectReader");break;case 1195:case 1203:case 1196:this.surfaceReader=this.newReader("IsoSolventReader");
break;case 1844:case 1837:this.surfaceReader=this.newReader("IsoMOReader");break;case 8:this.surfaceReader=this.newReader("IsoFxyReader");break;case 9:this.surfaceReader=this.newReader("IsoFxyzReader")}JU.Logger.info("Using surface reader "+this.surfaceReader);return!0});e(c$,"generateSurface",function(){if(2==++this.params.state){this.setReader();var a=null!=this.meshDataServer;this.params.colorBySign&&(this.params.isBicolorMap=!0);if(null==this.surfaceReader)JU.Logger.error("surfaceReader is null for "+
this.params.dataType);else if(this.surfaceReader.createIsosurface(!1)){null!=this.params.pocket&&a&&this.surfaceReader.selectPocket(!this.params.pocket.booleanValue());0<this.params.minSet&&this.surfaceReader.excludeMinimumSet();0<this.params.maxSet&&this.surfaceReader.excludeMaximumSet();null!=this.params.slabInfo&&this.surfaceReader.slabIsosurface(this.params.slabInfo);a&&this.meshDataServer.notifySurfaceGenerationCompleted()&&(this.surfaceReader.hasColorData=!1);0<=this.jvxlData.thisSet&&this.getSurfaceSets();
this.jvxlData.jvxlDataIs2dContour&&(this.surfaceReader.colorIsosurface(),this.params.state=3);this.jvxlData.jvxlDataIsColorDensity&&(this.params.state=3);if(this.params.colorBySign||this.params.isBicolorMap)this.params.state=3,this.surfaceReader.applyColorScale();null!=this.jvxlData.vertexColorMap&&(this.jvxlData.vertexColorMap=null,this.surfaceReader.hasColorData=!1);this.surfaceReader.jvxlUpdateInfo();this.marchingSquares=this.surfaceReader.marchingSquares;this.surfaceReader.discardTempData(!1);
this.params.mappedDataMin=3.4028235E38;this.surfaceReader.closeReader();if(3!=this.params.state&&(this.surfaceReader.hasColorData||this.params.colorDensity))this.params.state=3,this.colorIsosurface();this.surfaceReader=null}else JU.Logger.error("Could not create isosurface"),this.params.cutoff=NaN,this.surfaceReader.closeReader()}});e(c$,"mapSurface",function(){1==this.params.state&&null!=this.params.thePlane&&this.params.state++;if(!(3>++this.params.state)&&this.setReader()){this.params.isPeriodic&&
(this.surfaceReader.volumeData.isPeriodic=!0);if(null!=this.params.thePlane){var a=this.params.isSquared;this.params.isSquared=!1;this.params.cutoff=0;this.surfaceReader.volumeData.setMappingPlane(this.params.thePlane);this.surfaceReader.createIsosurface(!this.params.isPeriodic);this.surfaceReader.volumeData.setMappingPlane(null);null!=this.meshDataServer&&this.meshDataServer.notifySurfaceGenerationCompleted();if(1205==this.params.dataType){this.surfaceReader.discardTempData(!0);return}this.params.isSquared=
a;this.params.mappedDataMin=3.4028235E38;this.surfaceReader.readVolumeData(!0);null!=this.params.mapLattice&&(this.surfaceReader.volumeData.isPeriodic=!0)}else!this.params.colorBySets&&!this.params.colorDensity&&(this.surfaceReader.readAndSetVolumeParameters(!0),this.params.mappedDataMin=3.4028235E38,this.surfaceReader.readVolumeData(!0));this.colorIsosurface();this.surfaceReader.closeReader();this.surfaceReader=null}});e(c$,"colorIsosurface",function(){this.surfaceReader.colorIsosurface();this.surfaceReader.jvxlUpdateInfo();
this.surfaceReader.updateTriangles();this.surfaceReader.discardTempData(!0);null!=this.meshDataServer&&this.meshDataServer.notifySurfaceMappingCompleted()});e(c$,"getProperty",function(a,b){return"jvxlFileData"===a?J.jvxl.data.JvxlCoder.jvxlGetFile(this.jvxlData,null,this.params.title,"",!0,b,null,null):"jvxlFileInfo"===a?J.jvxl.data.JvxlCoder.jvxlGetInfo(this.jvxlData):null},"~S,~N");e(c$,"setFileData",function(a,b){var c=this.fileType;this.fileType=null;if(U(b,java.util.Map)){var d=b;if(d.containsKey("__pymolSurfaceData__"))return this.readerData=
d,this.newReaderBr("PyMOLMeshReader",null);b=d.get("volumeData")}if(U(b,J.jvxl.data.VolumeData))return this.volumeDataTemp=b,this.newReader("VolumeDataReader");d=null;U(b,String)&&(d=b,b=JU.Rdr.getBR(b));var g=b;null==c&&(c=JV.FileManager.determineSurfaceFileType(g));if(null!=c&&c.startsWith("UPPSALA")){var e=this.params.fileName,e=e.substring(0,e.indexOf("/",10)),e=e+JU.PT.getQuotedStringAt(c,c.indexOf("A HREF")+1);this.params.fileName=e;b=this.atomDataServer.getBufferedInputStream(e);if(null==b)return JU.Logger.error("Isosurface: could not open file "+
e),null;try{g=JU.Rdr.getBufferedReader(b,null)}catch(h){if(!T(h,Exception))throw h;}c=JV.FileManager.determineSurfaceFileType(g)}null==c&&(c="UNKNOWN");JU.Logger.info("data file type was determined to be "+c);if(c.equals("Jvxl+"))return this.newReaderBr("JvxlReader",g);this.readerData=A(-1,[this.params.fileName,d]);if(0<="MRC DELPHI DSN6".indexOf(c.toUpperCase())){try{g.close()}catch(f){if(!T(f,java.io.IOException))throw f;}g=null;c+="Binary"}return this.newReaderBr(c+"Reader",g)},"JV.Viewer,~O");
e(c$,"getReaderData",function(){var a=this.readerData;this.readerData=null;return a});e(c$,"initializeIsosurface",function(){this.params.initialize();this.colorPtr=0;this.marchingSquares=this.surfaceReader=null;this.initState()});e(c$,"initState",function(){this.params.state=1;this.params.dataType=this.params.surfaceType=0});e(c$,"setLcao",function(){this.params.colorPos=this.params.colorPosLCAO;this.params.colorNeg=this.params.colorNegLCAO;return this.params.lcaoType});e(c$,"getFunctionZfromXY",
function(){for(var a=this.params.functionInfo.get(1),b=t(3,0),c=t(3,0),d=Array(3),g=0;3>g;g++){var e=this.params.functionInfo.get(g+2);b[g]=Math.abs(y(e.x));d[g]=JU.V3.new3(e.y,e.z,e.w)}for(var e=b[0],b=b[1],h=new JU.P3,f=new JU.P3,m=new JU.P3,n=new JU.P3,p=this.params.functionInfo.get(5),j=w(e,b,0),u,g=0;g<e;g++)for(var q=0;q<b;q++){h.scaleAdd2(g,d[0],a);h.scaleAdd2(q,d[1],h);var z=J.jvxl.readers.SurfaceGenerator.findNearestThreePoints(h.x,h.y,p,c);f.set((u=p[c[0]])[0],u[1],u[2]);1E-5>z?h.z=u[2]:
(m.set((u=p[c[1]])[0],u[1],u[2]),n.set((u=p[c[2]])[0],u[1],u[2]),h.z=this.distanceVerticalToPlane(h.x,h.y,f,m,n));j[g][q]=h.z}this.params.functionInfo.set(5,j)});e(c$,"distanceVerticalToPlane",function(a,b,c,d,g){c=JU.Measure.getDirectedNormalThroughPoints(c,d,g,this.ptRef,this.vNorm,this.vAB);return(this.vNorm.x*a+this.vNorm.y*b+c)/-this.vNorm.z},"~N,~N,JU.P3,JU.P3,JU.P3");c$.findNearestThreePoints=e(c$,"findNearestThreePoints",function(a,b,c,d){var g,e,h,f,m,n,p;m=n=p=-1;e=h=f=3.4028235E38;for(var j=
c.length;0<=--j;)g=(g=c[j][0]-a)*g+(g=c[j][1]-b)*g,g<e?(f=h,h=e,e=g,p=n,n=m,m=j):g<h?(f=h,h=g,p=n,n=j):g<f&&(f=g,p=j);d[0]=m;d[1]=n;d[2]=p;return e},"~N,~N,~A,~A");e(c$,"addRequiredFile",function(a){null!=this.meshDataServer&&this.meshDataServer.addRequiredFile(a)},"~S");e(c$,"log",function(a){null==this.atomDataServer?System.out.println(a):this.atomDataServer.log(a)},"~S");e(c$,"setOutputChannel",function(a,b){null!=this.meshDataServer&&this.meshDataServer.setOutputChannel(a,b)},"javajs.api.GenericBinaryDocument,JU.OC");
e(c$,"fillAtomData",function(a,b){0!=(b&2)&&null!=a.bsSelected&&(null==this.bsVdw&&(this.bsVdw=new JU.BS),this.bsVdw.or(a.bsSelected));this.atomDataServer.fillAtomData(a,b)},"J.atomdata.AtomData,~N");e(c$,"getSpanningVectors",function(){return null==this.surfaceReader.volumeData?null:this.surfaceReader.volumeData.spanningVectors})});I("J.jvxl.readers");L(null,"J.jvxl.readers.Parameters","java.lang.Float java.util.Hashtable JU.A4 $.Lst $.M3 $.P3 $.P4 $.V3 JU.Escape $.Logger".split(" "),function(){c$=
G(function(){this.testFlags=this.state=0;this.isSilent=this.logCube=this.logCompression=this.logMessages=!1;this.assocCutoff=0.3;this.surfaceType=this.dataType=0;this.calculationType="";this.atomRadiusData=null;this.addHydrogens=!1;this.solventExtendedAtomRadius=this.solventRadius=0;this.propertySmoothing=!1;this.propertySmoothingPower=4;this.cavityRadius=this.envelopeRadius=0;this.isCavity=!1;this.pocket=null;this.minSet=0;this.slabInfo=null;this.slabPlaneOffset=NaN;this.theProperty=null;this.solvent_ptsPerAngstrom=
4;this.solvent_gridMax=60;this.plane_ptsPerAngstrom=4;this.plane_gridMax=81;this.colorBySets=this.colorByPhase=this.colorBySign=!1;this.colorPhase=this.colorNegLCAO=this.colorPosLCAO=this.colorPos=this.colorNeg=this.colorRgb=0;this.iAddGridPoints=this.colorDensity=!1;this.atomIndex=0;this.isAngstroms=!1;this.scale3d=this.scale=0;this.anisotropy=null;this.isAnisotropic=!1;this.eccentricityMatrixInverse=this.eccentricityMatrix=null;this.isEccentric=!1;this.eccentricityRatio=this.eccentricityScale=0;
this.functionInfo=this.lcaoType=this.anisoB=this.aniosU=null;this.psi_n=2;this.psi_Znuc=this.psi_m=this.psi_l=1;this.psi_ptsPerAngstrom=5;this.psi_monteCarloCount=0;this.mep_gridMax=40;this.mep_ptsPerAngstrom=3;this.mep_marginAngstroms=1;this.mep_calcType=-1;this.qmOrbitalCount=this.qmOrbitalType=0;this.moData=null;this.qm_gridMax=80;this.qm_ptsPerAngstrom=10;this.qm_marginAngstroms=1;this.qm_nAtoms=0;this.qm_moNumber=2147483647;this.point=this.center=this.qm_moLinearCombination=null;this.distance=
0;this.allowVolumeRender=!1;this.title=this.func=this.bsSolvent=this.bsIgnore=this.bsSelected=this.script=null;this.readAllData=this.blockCubeData=!1;this.fileIndex=-1;this.fileName=null;this.modelIndex=-1;this.dataXYReversed=this.insideOut=this.isXLowToHigh=!1;this.sigma=this.cutoff=3.4028235E38;this.cutoffAutomatic=!0;this.rangeDefined=this.rangeSelected=this.rangeAll=this.isPositiveOnly=this.isCutoffAbsolute=!1;this.mappedDataMax=this.mappedDataMin=this.valueMappedToBlue=this.valueMappedToRed=
0;this.isSquaredLinear=this.isSquared=this.isBicolorMap=this.isColorReversed=!1;this.thePlane=null;this.isContoured=!1;this.thisContour=this.nContours=0;this.contourFromZero=!1;this.parameters=null;this.maxSet=this.downsampleFactor=this.resolution=0;this.bsExcluded=this.boundingBox=this.contourIncrements=this.contourColixes=this.contoursDiscrete=null;this.contourType=0;this.colorSchemeTranslucent=!1;this.colorEncoder=null;this.usePropertyForColorRange=!0;this.doFullMolecular=this.isPeriodic=!1;this.propertyDistanceMax=
2147483647;this.randomSeed=0;this.fullyLit=!1;this.mapLattice=this.contactPair=this.volumeData=this.points=this.steps=this.origin=this.intersection=this.vertexSource=null;this.extendGrid=0;this.showTiming=this.isMapped=!1;this.pointSize=0;K(this,arguments)},J.jvxl.readers,"Parameters");$(c$,function(){this.anisotropy=w(3,0)});e(c$,"initialize",function(){this.addHydrogens=!1;this.allowVolumeRender=!0;this.atomRadiusData=null;this.atomIndex=-1;this.blockCubeData=!1;this.boundingBox=null;this.bsExcluded=
Array(4);this.bsSolvent=this.bsSelected=this.bsIgnore=null;this.calculationType="";this.center=new JU.P3;this.resetForMapping(!0);this.colorBySign=this.colorByPhase=this.colorBySets=!1;this.colorEncoder=null;this.colorNeg=-65536;this.colorNegLCAO=-8388480;this.colorPos=-16776961;this.colorPosLCAO=-23296;this.colorRgb=-2147483648;this.colorSchemeTranslucent=!1;this.contourColixes=this.contoursDiscrete=this.contourIncrements=this.contactPair=null;this.contourFromZero=!0;this.cutoff=3.4028235E38;this.cutoffAutomatic=
!0;this.dataXYReversed=!1;this.distance=3.4028235E38;this.doFullMolecular=!1;this.envelopeRadius=10;this.extendGrid=0;this.fileIndex=1;this.readAllData=!0;this.fileName="";this.fullyLit=!1;this.functionInfo=null;this.logCube=this.logCompression=this.isSilent=this.isPeriodic=this.isMapped=this.isEccentric=this.isContoured=this.isSquaredLinear=this.isSquared=this.isColorReversed=this.isCavity=this.isBicolorMap=this.isCutoffAbsolute=this.isPositiveOnly=this.isAngstroms=this.insideOut=this.iAddGridPoints=
!1;this.logMessages=JU.Logger.debugging;this.mapLattice=null;this.mep_calcType=-1;this.minSet=0;this.modelIndex=-1;this.nContours=0;this.pocket=null;this.pointSize=NaN;this.propertyDistanceMax=2147483647;this.propertySmoothing=!1;this.propertySmoothingPower=4;this.rangeSelected=this.rangeAll=this.rangeDefined=!1;this.resolution=3.4028235E38;this.scale=NaN;this.scale3d=0;this.sigma=NaN;this.slabInfo=null;this.solventExtendedAtomRadius=0;this.state=1;this.testFlags=0;this.theProperty=this.thePlane=
null;this.thisContour=-1;this.title=null;this.usePropertyForColorRange=!0;this.vertexSource=null});e(c$,"resetForMapping",function(a){a||(this.state=2);this.center.x=NaN;this.colorDensity=!1;this.intersection=this.func=null;this.isAnisotropic=!1;this.isMapped=!0;this.mappedDataMin=3.4028235E38;this.points=this.parameters=this.origin=null;this.qmOrbitalType=0;this.volumeData=this.steps=null},"~B");e(c$,"setAnisotropy",function(a){this.anisotropy[0]=a.x;this.anisotropy[1]=a.y;this.anisotropy[2]=a.z;
this.isAnisotropic=!0;Float.isNaN(this.center.x)&&this.center.set(0,0,0)},"JU.P3");e(c$,"setEccentricity",function(a){var b=JU.V3.new3(a.x,a.y,a.z),c=0<this.scale?this.scale:0>a.w?1:b.length();a=Math.abs(a.w);b.normalize();var d=JU.V3.new3(0,0,1);b.add(d);b.normalize();Float.isNaN(b.x)&&b.set(1,0,0);this.eccentricityMatrixInverse=new JU.M3;this.eccentricityMatrixInverse.invertM(this.eccentricityMatrix=(new JU.M3).setAA(JU.A4.newVA(b,3.141592653589793)));this.isEccentric=this.isAnisotropic=!0;this.eccentricityScale=
c;this.eccentricityRatio=a;1<a&&(this.eccentricityScale*=a);this.anisotropy[0]=a*c;this.anisotropy[1]=a*c;this.anisotropy[2]=c;Float.isNaN(this.center.x)&&this.center.set(0,0,0)},"JU.P4");e(c$,"setPlane",function(a){this.thePlane=a;0==this.thePlane.x&&(0==this.thePlane.y&&0==this.thePlane.z)&&(this.thePlane.z=1);this.isContoured=!0},"JU.P4");e(c$,"setSphere",function(a,b){this.dataType=b?74:65;this.distance=a;this.setEccentricity(JU.P4.new4(0,0,1,1));this.cutoff=1.4E-45;this.isCutoffAbsolute=!1;this.isSilent=
!this.logMessages;this.script=this.getScriptParams()+" SPHERE "+a+";"},"~N,~B");e(c$,"setEllipsoidP4",function(a){this.dataType=66;this.distance=1;this.setEccentricity(a);this.cutoff=1.4E-45;this.isCutoffAbsolute=!1;this.isSilent=!this.logMessages},"JU.P4");e(c$,"setEllipsoidAF",function(a){this.anisoB=a;this.dataType=67;this.distance=0.3*(Float.isNaN(this.scale)?1:this.scale);this.cutoff=1.4E-45;this.isCutoffAbsolute=!1;this.isSilent=!this.logMessages;Float.isNaN(this.center.x)&&this.center.set(0,
0,0);3.4028235E38==this.resolution&&(this.resolution=6)},"~A");e(c$,"setLobe",function(a){this.dataType=68;this.setEccentricity(a);3.4028235E38==this.cutoff&&(this.cutoff=0.14,this.isSquared&&(this.cutoff*=this.cutoff));this.isSilent=!this.logMessages;this.script=this.getScriptParams()+" LOBE {"+a.x+" "+a.y+" "+a.z+" "+a.w+"};"},"JU.P4");e(c$,"getScriptParams",function(){return" center "+JU.Escape.eP(this.center)+(Float.isNaN(this.scale)?"":" scale "+this.scale)});e(c$,"setLp",function(a){this.dataType=
70;this.setEccentricity(a);3.4028235E38==this.cutoff&&(this.cutoff=0.14,this.isSquared&&(this.cutoff*=this.cutoff));this.isSilent=!this.logMessages;this.script=" center "+JU.Escape.eP(this.center)+(Float.isNaN(this.scale)?"":" scale "+this.scale)+" LP {"+a.x+" "+a.y+" "+a.z+" "+a.w+"};"},"JU.P4");e(c$,"setRadical",function(a){this.dataType=71;this.setEccentricity(a);3.4028235E38==this.cutoff&&(this.cutoff=0.14,this.isSquared&&(this.cutoff*=this.cutoff));this.isSilent=!this.logMessages;this.script=
" center "+JU.Escape.eP(this.center)+(Float.isNaN(this.scale)?"":" scale "+this.scale)+" RAD {"+a.x+" "+a.y+" "+a.z+" "+a.w+"};"},"JU.P4");e(c$,"setLcao",function(a,b){this.lcaoType=a;1==b&&(this.colorPosLCAO=this.colorNegLCAO);this.isSilent=!this.logMessages},"~S,~N");e(c$,"setSolvent",function(a,b){this.isEccentric=this.isAnisotropic=!1;this.solventRadius=Math.abs(b);this.dataType=null!=this.intersection?1333:"nomap"===a?1205:"molecular"===a?1203:"sasurface"===a||0==this.solventRadius?1196:1195;
if(2>this.state&&(this.cutoffAutomatic||!this.colorDensity)&&(null==this.intersection||3.4028235E38==this.cutoff))this.cutoff=0;switch(this.dataType){case 1333:this.calculationType="VDW intersection";break;case 1205:this.calculationType="unmapped plane";break;case 1203:this.calculationType="molecular surface with radius "+this.solventRadius;break;case 1195:this.calculationType="solvent-excluded surface with radius "+this.solventRadius;break;case 1196:this.calculationType="solvent-accessible surface with radius "+
this.solventRadius}switch(this.dataType){case 1205:this.solventExtendedAtomRadius=this.solventRadius;this.solventRadius=0;this.isContoured=!1;break;case 1203:this.solventExtendedAtomRadius=0;break;case 1195:this.solventExtendedAtomRadius=0;null==this.bsIgnore?this.bsIgnore=this.bsSolvent:null!=this.bsSolvent&&this.bsIgnore.or(this.bsSolvent);break;case 1196:this.solventExtendedAtomRadius=this.solventRadius,this.solventRadius=0,null==this.bsIgnore?this.bsIgnore=this.bsSolvent:null!=this.bsSolvent&&
this.bsIgnore.or(this.bsSolvent)}},"~S,~N");e(c$,"setFunctionXY",function(a){this.dataType=8;this.functionInfo=a;this.cutoff=1.4E-45;this.isEccentric=this.isAnisotropic=!1},"JU.Lst");e(c$,"setFunctionXYZ",function(a){this.dataType=9;this.functionInfo=a;3.4028235E38==this.cutoff&&(this.cutoff=1.4E-45);this.isEccentric=this.isAnisotropic=!1},"JU.Lst");e(c$,"setAtomicOrbital",function(a){this.dataType=1294;this.setEccentricity(JU.P4.new4(0,0,1,1));this.psi_n=y(a[0]);this.psi_l=y(a[1]);this.psi_m=y(a[2]);
this.psi_Znuc=a[3];this.psi_monteCarloCount=y(a[4]);this.distance=a[5];if(0!=this.distance||null!=this.thePlane)this.allowVolumeRender=!1;this.randomSeed=y(a[6]);this.psi_ptsPerAngstrom=10;if(3.4028235E38==this.cutoff||0.14==this.cutoff)this.cutoff=0<this.psi_monteCarloCount?0:0.04,this.isSquared&&(this.cutoff*=this.cutoff);this.isCutoffAbsolute=!0;2>this.state&&(null==this.thePlane&&this.colorBySign)&&(this.isBicolorMap=!0);return 0<this.psi_Znuc&&Math.abs(this.psi_m)<=this.psi_l&&this.psi_l<this.psi_n},
"~A");e(c$,"setMep",function(a,b){this.dataType=b?1329:1328;this.theProperty=a;this.isEccentric=this.isAnisotropic=this.usePropertyForColorRange=!1;3.4028235E38==this.cutoff&&(this.cutoff=0.1,this.isSquared&&(this.cutoff*=this.cutoff));this.isCutoffAbsolute=0<this.cutoff&&!this.isPositiveOnly;this.contourFromZero=!1;2<=this.state||null!=this.thePlane?!this.rangeDefined&&!this.rangeAll&&(this.valueMappedToRed=-0.1,this.valueMappedToBlue=0.1,this.rangeDefined=!0):this.isBicolorMap=this.colorBySign=
!0},"~A,~B");e(c$,"setNci",function(a){this.fullyLit=!0;this.qm_gridMax=200;a&&(this.dataType=1844);this.qm_marginAngstroms=2;this.qmOrbitalType=a?3:4;if(a&&(null==this.parameters||2>this.parameters.length))this.parameters=w(-1,[this.cutoff,2]);if(3.4028235E38==this.cutoff||0==this.cutoff)this.cutoff=0.3;this.isSquared&&(this.cutoff*=this.cutoff);null==this.title&&(this.title=[]);this.moData=new java.util.Hashtable},"~B");e(c$,"setMO",function(a,b){this.qm_moLinearCombination=b;this.qm_moNumber=null==
b?Math.abs(a):y(b[1]);this.qmOrbitalType=this.moData.containsKey("haveVolumeData")?5:this.moData.containsKey("gaussians")?1:this.moData.containsKey("slaters")?2:0;var c=0>=a&&null==b;0==this.qmOrbitalType?(JU.Logger.error("MO ERROR: No basis functions found in file for MO calculation. (GAUSSIAN 'gfprint' keyword may be missing?)"),this.title=A(-1,["no basis functions found in file"])):(this.qmOrbitalCount=this.moData.get("mos").size(),this.calculationType=this.moData.get("calculationType"),this.calculationType=
"Molecular orbital #"+this.qm_moNumber+"/"+this.qmOrbitalCount+" "+(null==this.calculationType?"":this.calculationType),!c&&null==this.title&&(this.title=Array(5),this.title[0]="%F",this.title[1]="Model %M  MO %I/%N %T",this.title[2]="?Energy = %E %U",this.title[3]="?Symmetry = %S",this.title[4]="?Occupancy = %O"));this.dataType=1837;3.4028235E38==this.cutoff&&(this.cutoff=c?0.01:0.05);if(this.isSquared||this.isSquaredLinear)this.cutoff*=this.cutoff;this.isEccentric=this.isAnisotropic=!1;this.isCutoffAbsolute=
0<this.cutoff&&!this.isPositiveOnly;2<=this.state||null!=this.thePlane||(this.colorBySign=!0,this.colorByPhase&&0==this.colorPhase&&(this.colorByPhase=!1),this.isBicolorMap=!0)},"~N,~A");e(c$,"setMapRanges",function(a,b){if(!this.colorDensity&&(this.colorByPhase||this.colorBySign||(null!=this.thePlane||this.isBicolorMap)&&!this.isContoured))this.mappedDataMin=-1,this.mappedDataMax=1;if(3.4028235E38==this.mappedDataMin||this.mappedDataMin==this.mappedDataMax){var c=a.getMinMaxMappedValues(b);this.mappedDataMin=
c[0];this.mappedDataMax=c[1]}0==this.mappedDataMin&&0==this.mappedDataMax&&(this.mappedDataMin=-1,this.mappedDataMax=1);this.rangeDefined||(this.valueMappedToRed=this.mappedDataMin,this.valueMappedToBlue=this.mappedDataMax)},"J.jvxl.readers.SurfaceReader,~B");e(c$,"addSlabInfo",function(a){null==this.slabInfo&&(this.slabInfo=new JU.Lst);this.slabInfo.addLast(a)},"~A");X(c$,"STATE_UNINITIALIZED",0,"STATE_INITIALIZED",1,"STATE_DATA_READ",2,"STATE_DATA_COLORED",3,"NO_ANISOTROPY",32,"IS_SILENT",64,"IS_SOLVENTTYPE",
128,"HAS_MAXGRID",256,"IS_POINTMAPPABLE",512,"IS_SLABBABLE",1024,"SURFACE_NONE",0,"SURFACE_SPHERE",65,"SURFACE_ELLIPSOID2",66,"SURFACE_ELLIPSOID3",67,"SURFACE_LOBE",68,"SURFACE_LCAOCARTOON",69,"SURFACE_LONEPAIR",70,"SURFACE_RADICAL",71,"SURFACE_FUNCTIONXY",8,"SURFACE_FUNCTIONXYZ",9,"SURFACE_GEODESIC",74,"SURFACE_SOLVENT",1195,"SURFACE_SASURFACE",1196,"SURFACE_MOLECULARORBITAL",1837,"SURFACE_ATOMICORBITAL",1294,"SURFACE_MEP",1328,"SURFACE_MLP",1329,"SURFACE_MOLECULAR",1203,"SURFACE_NCI",1844,"SURFACE_INTERSECT",
1333,"SURFACE_NOMAP",1205,"SURFACE_PROPERTY",1206,"ANGSTROMS_PER_BOHR",0.5291772,"defaultEdgeFractionBase",35,"defaultEdgeFractionRange",90,"defaultColorFractionBase",35,"defaultColorFractionRange",90,"defaultMappedDataMin",0,"defaultMappedDataMax",1,"defaultCutoff",0.02,"defaultOrbitalCutoff",0.04,"defaultLobeCutoff",0.14,"defaultOrbitalCutoffOld",0.14,"defaultQMOrbitalCutoff",0.05,"defaultQMElectronDensityCutoff",0.01,"defaultContourCount",11,"nContourMax",100,"defaultColorNegative",4294901760,
"defaultColorPositive",4278190335,"defaultColorNegativeLCAO",4286578816,"defaultColorPositiveLCAO",4294944E3,"defaultSolventRadius",1.2,"defaultMepCutoff",0.1,"defaultMepMin",-0.1,"defaultMepMax",0.1,"MEP_MAX_GRID",40,"QM_TYPE_UNKNOWN",0,"QM_TYPE_GAUSSIAN",1,"QM_TYPE_SLATER",2,"QM_TYPE_NCI_PRO",3,"QM_TYPE_NCI_SCF",4,"QM_TYPE_VOLUME_DATA",5,"MO_MAX_GRID",80)});I("J.jvxl.readers");L(["J.jvxl.api.VertexDataServer","JU.P3"],"J.jvxl.readers.SurfaceReader","java.lang.Float JU.AU $.BS J.jvxl.calc.MarchingCubes $.MarchingSquares J.jvxl.data.JvxlCoder $.MeshData JU.BoxInfo $.C $.ColorEncoder $.Escape $.Logger".split(" "),
function(){c$=G(function(){this.edgeData=this.volumeData=this.jvxlData=this.meshData=this.params=this.meshDataServer=this.sg=null;this.isXLowToHigh=this.isProgressive=this.allowSigma=this.haveSurfaceAtoms=!1;this.assocCutoff=0.3;this.hasColorData=this.vertexDataOnly=this.isPeriodic=this.isQuiet=!1;this.dataMin=3.4028235E38;this.dataMax=-3.4028235E38;this.dataMean=0;this.anisotropy=this.center=this.xyzMax=this.xyzMin=null;this.isAnisotropic=!1;this.eccentricityMatrixInverse=this.eccentricityMatrix=
null;this.isEccentric=!1;this.edgeCount=this.eccentricityRatio=this.eccentricityScale=0;this.voxelData=this.voxelCounts=this.volumetricVectors=this.volumetricOrigin=null;this.nPointsZ=this.nPointsY=this.nPointsX=this.nDataPoints=this.nBytes=0;this.isJvxl=!1;this.colorFractionRange=this.colorFractionBase=this.edgeFractionRange=this.edgeFractionBase=0;this.fractionData=this.jvxlFileHeaderBuffer=null;this.jvxlColorDataRead=this.jvxlEdgeDataRead="";this.jvxlVoxelBitSet=null;this.jvxlDataIsColorDensity=
this.jvxlDataIs2dContour=this.jvxlDataIsPrecisionColor=this.jvxlDataIsColorMapped=!1;this.jvxlNSurfaceInts=this.jvxlCutoff=0;this.cJvxlEdgeNaN="\x00";this.contourVertexCount=0;this.yzPlanes=this.marchingCubes=this.marchingSquares=null;this.yzCount=0;this.minMax=this.ptTemp=this.qpc=null;this.haveSetAnisotropy=!1;K(this,arguments)},J.jvxl.readers,"SurfaceReader",null,J.jvxl.api.VertexDataServer);$(c$,function(){this.ptTemp=new JU.P3});N(c$,function(){});e(c$,"initSR",function(a){this.sg=a;this.params=
a.params;this.assocCutoff=this.params.assocCutoff;this.isXLowToHigh=this.params.isXLowToHigh;this.center=this.params.center;this.anisotropy=this.params.anisotropy;this.isAnisotropic=this.params.isAnisotropic;this.eccentricityMatrix=this.params.eccentricityMatrix;this.eccentricityMatrixInverse=this.params.eccentricityMatrixInverse;this.isEccentric=this.params.isEccentric;this.eccentricityScale=this.params.eccentricityScale;this.eccentricityRatio=this.params.eccentricityRatio;this.marchingSquares=a.marchingSquares;
this.meshData=a.meshData;this.jvxlData=a.jvxlData;this.setVolumeDataV(a.volumeDataTemp);this.meshDataServer=a.meshDataServer;this.cJvxlEdgeNaN=String.fromCharCode(125)},"J.jvxl.readers.SurfaceGenerator");e(c$,"setOutputChannel",function(){},"JU.OC");e(c$,"newVoxelDataCube",function(){this.volumeData.setVoxelDataAsArray(this.voxelData=w(this.nPointsX,this.nPointsY,this.nPointsZ,0))});e(c$,"setVolumeDataV",function(a){this.nBytes=0;this.volumetricOrigin=a.volumetricOrigin;this.volumetricVectors=a.volumetricVectors;
this.voxelCounts=a.voxelCounts;this.voxelData=a.getVoxelData();this.volumeData=a},"J.jvxl.data.VolumeData");e(c$,"jvxlUpdateInfo",function(){this.jvxlData.jvxlUpdateInfo(this.params.title,this.nBytes)});e(c$,"readAndSetVolumeParameters",function(a){return!this.readVolumeParameters(a)?!1:this.vertexDataOnly?!0:this.volumeData.setUnitVectors()},"~B");e(c$,"createIsosurface",function(a){this.resetIsosurface();this.params.showTiming&&JU.Logger.startTimer("isosurface creation");this.jvxlData.cutoff=NaN;
if(!this.readAndSetVolumeParameters(a))return!1;!a&&(!Float.isNaN(this.params.sigma)&&!this.allowSigma)&&(0<this.params.sigma&&JU.Logger.error("Reader does not support SIGMA option -- using cutoff 1.6"),this.params.cutoff=1.6);0>this.params.sigma&&(this.params.sigma=-this.params.sigma);this.nPointsX=this.voxelCounts[0];this.nPointsY=this.voxelCounts[1];this.nPointsZ=this.voxelCounts[2];this.jvxlData.isSlabbable=0!=(this.params.dataType&1024);this.jvxlData.insideOut=this.params.insideOut;this.jvxlData.dataXYReversed=
this.params.dataXYReversed;this.jvxlData.isBicolorMap=this.params.isBicolorMap;this.jvxlData.nPointsX=this.nPointsX;this.jvxlData.nPointsY=this.nPointsY;this.jvxlData.nPointsZ=this.nPointsZ;this.jvxlData.jvxlVolumeDataXml=this.volumeData.xmlData;this.jvxlData.voxelVolume=this.volumeData.voxelVolume;if(a)this.volumeData.setMappingPlane(this.params.thePlane),null!=this.meshDataServer&&this.meshDataServer.fillMeshData(this.meshData,1,null),this.params.setMapRanges(this,!1),this.generateSurfaceData(),
this.volumeData.setMappingPlane(null);else{if(!this.readVolumeData(!1))return!1;this.generateSurfaceData()}if(null!=this.jvxlFileHeaderBuffer){a=this.jvxlFileHeaderBuffer.toString();var b=a.indexOf("\n",a.indexOf("\n",a.indexOf("\n")+1)+1)+1;this.jvxlData.jvxlFileTitle=a.substring(0,b)}null==this.params.contactPair&&this.setBBoxAll();this.params.isSilent||JU.Logger.info("boundbox corners "+JU.Escape.eP(this.xyzMin)+" "+JU.Escape.eP(this.xyzMax));this.jvxlData.boundingBox=A(-1,[this.xyzMin,this.xyzMax]);
this.jvxlData.dataMin=this.dataMin;this.jvxlData.dataMax=this.dataMax;this.jvxlData.cutoff=this.isJvxl?this.jvxlCutoff:this.params.cutoff;this.jvxlData.isCutoffAbsolute=this.params.isCutoffAbsolute;this.jvxlData.pointsPerAngstrom=1/this.volumeData.volumetricVectorLengths[0];this.jvxlData.jvxlColorData="";this.jvxlData.jvxlPlane=this.params.thePlane;this.jvxlData.jvxlEdgeData=this.edgeData;this.jvxlData.isBicolorMap=this.params.isBicolorMap;this.jvxlData.isContoured=this.params.isContoured;this.jvxlData.colorDensity=
this.params.colorDensity;this.jvxlData.pointSize=this.params.pointSize;null!=this.jvxlData.vContours&&(this.params.nContours=this.jvxlData.vContours.length);this.jvxlData.nContours=this.params.contourFromZero?this.params.nContours:-1-this.params.nContours;this.jvxlData.thisContour=this.params.thisContour;this.jvxlData.nEdges=this.edgeCount;this.jvxlData.edgeFractionBase=this.edgeFractionBase;this.jvxlData.edgeFractionRange=this.edgeFractionRange;this.jvxlData.colorFractionBase=this.colorFractionBase;
this.jvxlData.colorFractionRange=this.colorFractionRange;this.jvxlData.jvxlDataIs2dContour=this.jvxlDataIs2dContour;this.jvxlData.jvxlDataIsColorMapped=this.jvxlDataIsColorMapped;this.jvxlData.jvxlDataIsColorDensity=this.jvxlDataIsColorDensity;this.jvxlData.isXLowToHigh=this.isXLowToHigh;this.jvxlData.vertexDataOnly=this.vertexDataOnly;this.jvxlData.saveVertexCount=0;if(this.jvxlDataIsColorMapped||0<this.jvxlData.nVertexColors)null!=this.meshDataServer&&(this.meshDataServer.fillMeshData(this.meshData,
1,null),this.meshDataServer.fillMeshData(this.meshData,2,null)),this.jvxlData.jvxlColorData=this.readColorData(),this.updateSurfaceData(),null!=this.meshDataServer&&this.meshDataServer.notifySurfaceMappingCompleted();this.params.showTiming&&JU.Logger.checkTimer("isosurface creation",!1);return!0},"~B");e(c$,"resetIsosurface",function(){this.meshData=new J.jvxl.data.MeshData;this.xyzMin=this.xyzMax=null;this.jvxlData.isBicolorMap=this.params.isBicolorMap;null!=this.meshDataServer&&this.meshDataServer.fillMeshData(null,
0,null);this.contourVertexCount=0;3.4028235E38==this.params.cutoff&&(this.params.cutoff=0.02);this.jvxlData.jvxlSurfaceData="";this.jvxlData.jvxlEdgeData="";this.jvxlData.jvxlColorData="";this.edgeCount=0;this.edgeFractionBase=35;this.edgeFractionRange=90;this.colorFractionBase=35;this.colorFractionRange=90;this.params.mappedDataMin=3.4028235E38});e(c$,"discardTempData",function(a){this.discardTempDataSR(a)},"~B");e(c$,"discardTempDataSR",function(a){a&&(this.voxelData=null,this.marchingCubes=this.sg.marchingSquares=
this.marchingSquares=null)},"~B");e(c$,"initializeVolumetricData",function(){this.nPointsX=this.voxelCounts[0];this.nPointsY=this.voxelCounts[1];this.nPointsZ=this.voxelCounts[2];this.setVolumeDataV(this.volumeData)});e(c$,"gotoAndReadVoxelData",function(a){this.initializeVolumetricData();if(0<this.nPointsX&&0<this.nPointsY&&0<this.nPointsZ)try{this.gotoData(this.params.fileIndex-1,this.nPointsX*this.nPointsY*this.nPointsZ),this.readSurfaceData(a)}catch(b){if(T(b,Exception))return JU.Logger.error(b.toString()),
!1;throw b;}return!0},"~B");e(c$,"gotoData",function(){},"~N,~N");e(c$,"readColorData",function(){if(null==this.jvxlData.vertexColors)return"";var a=this.jvxlData.vertexCount,b=this.meshData.vcs,c=this.meshData.vvs;if(null==b||b.length<a)this.meshData.vcs=b=Q(a,0);if(null==c||c.length<a)this.meshData.vvs=w(a,0);for(c=0;c<a;c++)b[c]=JU.C.getColix(this.jvxlData.vertexColors[c]);return"-"});j(c$,"getPlane",function(a){return this.getPlane2(a)},"~N");e(c$,"getPlane2",function(a){0==this.yzCount&&this.initPlanes();
null!=this.qpc&&this.qpc.getPlane(a,this.yzPlanes[a%2]);return this.yzPlanes[a%2]},"~N");e(c$,"initPlanes",function(){this.yzCount=this.nPointsY*this.nPointsZ;this.isQuiet||JU.Logger.info("reading data progressively -- yzCount = "+this.yzCount);this.yzPlanes=JU.AU.newFloat2(2);this.yzPlanes[0]=w(this.yzCount,0);this.yzPlanes[1]=w(this.yzCount,0)});j(c$,"getValue",function(a,b,c,d){return this.getValue2(a,b,c,d)},"~N,~N,~N,~N");e(c$,"getValue2",function(a,b,c,d){return null==this.yzPlanes?this.voxelData[a][b][c]:
this.yzPlanes[a%2][d]},"~N,~N,~N,~N");e(c$,"generateSurfaceData",function(){this.edgeData="";if(this.vertexDataOnly)try{this.readSurfaceData(!1)}catch(a){if(T(a,Exception))System.out.println(a.toString()),JU.Logger.error("Exception in SurfaceReader::readSurfaceData: "+a.toString());else throw a;}else{this.contourVertexCount=0;var b=-1;this.marchingSquares=null;if(null!=this.params.thePlane||this.params.isContoured)this.marchingSquares=new J.jvxl.calc.MarchingSquares(this,this.volumeData,this.params.thePlane,
this.params.contoursDiscrete,this.params.nContours,this.params.thisContour,this.params.contourFromZero),b=this.marchingSquares.contourType,this.marchingSquares.setMinMax(this.params.valueMappedToRed,this.params.valueMappedToBlue);this.params.contourType=b;this.params.isXLowToHigh=this.isXLowToHigh;this.marchingCubes=new J.jvxl.calc.MarchingCubes(this,this.volumeData,this.params,this.jvxlVoxelBitSet);b=this.marchingCubes.getEdgeData();null==this.params.thePlane&&(this.edgeData=b);this.jvxlData.setSurfaceInfoFromBitSetPts(this.marchingCubes.bsVoxels,
this.params.thePlane,this.params.mapLattice);this.jvxlData.jvxlExcluded=this.params.bsExcluded;this.isJvxl&&(this.edgeData=this.jvxlEdgeDataRead);this.postProcessVertices()}});e(c$,"postProcessVertices",function(){});j(c$,"getSurfacePointIndexAndFraction",function(a,b,c,d,g,e,h,f,m,n,p,j,u,q){b=this.getSurfacePointAndFraction(a,b,m,n,p,j,c,d,g,h,f,q,this.ptTemp);if(null!=this.marchingSquares&&this.params.isContoured)return this.marchingSquares.addContourVertex(this.ptTemp,a);a=0<this.assocCutoff?
q[0]<this.assocCutoff?h:q[0]>1-this.assocCutoff?f:-1:-1;0<=a&&(a=this.marchingCubes.getLinearOffset(c,d,g,a));a=this.addVertexCopy(this.ptTemp,b,a,!0);0<=a&&this.params.iAddGridPoints&&(this.marchingCubes.calcVertexPoint(c,d,g,f,this.ptTemp),this.addVertexCopy(m<n?p:this.ptTemp,Math.min(m,n),-3,!0),this.addVertexCopy(m<n?this.ptTemp:p,Math.max(m,n),-3,!0));return a},"~N,~B,~N,~N,~N,JU.P3i,~N,~N,~N,~N,JU.T3,JU.V3,~B,~A");e(c$,"getSurfacePointAndFraction",function(a,b,c,d,g,e,h,f,m,n,p,j,u){return this.getSPF(a,
b,c,d,g,e,h,f,m,n,p,j,u)},"~N,~B,~N,~N,JU.T3,JU.V3,~N,~N,~N,~N,~N,~A,JU.T3");e(c$,"getSPF",function(a,b,c,d,g,e,h,f,m,n,p,j,u){d-=c;h=(a-c)/d;if(b&&(0>h||1<h))h=(-a-c)/d;if(0>h||1<h)h=NaN;j[0]=h;u.scaleAdd2(h,e,g);return c+h*d},"~N,~B,~N,~N,JU.T3,JU.V3,~N,~N,~N,~N,~N,~A,JU.T3");e(c$,"addVertexCopy",function(a,b,c,d){return this.addVC(a,b,c,d)},"JU.T3,~N,~N,~B");e(c$,"addVC",function(a,b,c,d){return Float.isNaN(b)&&-3!=c?-1:null==this.meshDataServer?this.meshData.addVertexCopy(a,b,c,d):this.meshDataServer.addVertexCopy(a,
b,c,d)},"JU.T3,~N,~N,~B");e(c$,"addTriangleCheck",function(a,b,c,d,g,e,h){if(null!=this.marchingSquares&&this.params.isContoured){if(0==h)return this.marchingSquares.addTriangle(a,b,c,d,g);h=0}return null!=this.meshDataServer?this.meshDataServer.addTriangleCheck(a,b,c,d,g,e,h):e&&!J.jvxl.data.MeshData.checkCutoff(a,b,c,this.meshData.vvs)?-1:this.meshData.addTriangleCheck(a,b,c,d,g,h)},"~N,~N,~N,~N,~N,~B,~N");e(c$,"colorIsosurface",function(){this.params.isSquared&&null!=this.volumeData&&this.volumeData.filterData(!0,
NaN);null!=this.meshDataServer&&this.meshDataServer.fillMeshData(this.meshData,1,null);this.jvxlData.saveVertexCount=0;this.params.isContoured&&null!=this.marchingSquares&&(this.initializeMapping(),this.params.setMapRanges(this,!1),this.marchingSquares.setMinMax(this.params.valueMappedToRed,this.params.valueMappedToBlue),this.jvxlData.saveVertexCount=this.marchingSquares.contourVertexCount,this.contourVertexCount=this.marchingSquares.generateContourData(this.jvxlDataIs2dContour,this.params.isSquared?
1E-8:1E-4),this.jvxlData.contourValuesUsed=this.marchingSquares.contourValuesUsed,this.minMax=this.marchingSquares.getMinMax(),null!=this.meshDataServer&&this.meshDataServer.notifySurfaceGenerationCompleted(),this.finalizeMapping());this.applyColorScale();this.jvxlData.nContours=this.params.contourFromZero?this.params.nContours:-1-this.params.nContours;this.jvxlData.thisContour=this.params.thisContour;this.jvxlData.jvxlFileMessage="mapped: min = "+this.params.valueMappedToRed+"; max = "+this.params.valueMappedToBlue});
e(c$,"applyColorScale",function(){this.colorFractionBase=this.jvxlData.colorFractionBase=35;this.colorFractionRange=this.jvxlData.colorFractionRange=90;0==this.params.colorPhase&&(this.params.colorPhase=1);null==this.meshDataServer?this.meshData.vcs=Q(this.meshData.vc,0):(this.meshDataServer.fillMeshData(this.meshData,1,null),null==this.params.contactPair&&this.meshDataServer.fillMeshData(this.meshData,2,null));var a=this.params.colorDensity||this.params.isBicolorMap||this.params.colorBySign||!this.params.colorByPhase;
null!=this.params.contactPair&&(a=!1);this.jvxlData.isJvxlPrecisionColor=!0;this.jvxlData.vertexCount=0<this.contourVertexCount?this.contourVertexCount:this.meshData.vc;this.jvxlData.minColorIndex=-1;this.jvxlData.maxColorIndex=0;this.jvxlData.contourValues=this.params.contoursDiscrete;this.jvxlData.isColorReversed=this.params.isColorReversed;if(!this.params.colorDensity&&(this.params.isBicolorMap&&!this.params.isContoured||this.params.colorBySign))this.jvxlData.minColorIndex=JU.C.getColixTranslucent3(JU.C.getColix(this.params.isColorReversed?
this.params.colorPos:this.params.colorNeg),0!=this.jvxlData.translucency,this.jvxlData.translucency),this.jvxlData.maxColorIndex=JU.C.getColixTranslucent3(JU.C.getColix(this.params.isColorReversed?this.params.colorNeg:this.params.colorPos),0!=this.jvxlData.translucency,this.jvxlData.translucency);this.jvxlData.isTruncated=0<=this.jvxlData.minColorIndex&&!this.params.isContoured;if(!this.jvxlDataIs2dContour&&!this.hasColorData&&!this.vertexDataOnly&&!(this.params.colorDensity||this.params.isBicolorMap&&
!this.params.isContoured)){this.haveSurfaceAtoms&&null==this.meshData.vertexSource&&(this.meshData.vertexSource=t(this.meshData.vc,0));var b=3.4028235E38,c=-3.4028235E38,d;this.initializeMapping();for(var g=this.meshData.vc;--g>=this.meshData.mergeVertexCount0;){if(this.params.colorBySets)d=this.meshData.vertexSets[g];else if(this.params.colorByPhase)d=this.getPhase(this.meshData.vs[g]);else{var e=this.haveSurfaceAtoms;d=this.volumeData.lookupInterpolatedVoxelValue(this.meshData.vs[g],e);e&&(this.meshData.vertexSource[g]=
this.getSurfaceAtomIndex())}d<b&&(b=d);d>c&&3.4028235E38!=d&&(c=d);this.meshData.vvs[g]=d}this.params.rangeSelected&&null==this.minMax&&(this.minMax=w(-1,[b,c]));this.finalizeMapping()}this.params.setMapRanges(this,!0);this.jvxlData.mappedDataMin=this.params.mappedDataMin;this.jvxlData.mappedDataMax=this.params.mappedDataMax;this.jvxlData.valueMappedToRed=this.params.valueMappedToRed;this.jvxlData.valueMappedToBlue=this.params.valueMappedToBlue;null==this.params.contactPair&&null==this.jvxlData.vertexColors&&
this.colorData();J.jvxl.data.JvxlCoder.jvxlCreateColorData(this.jvxlData,a?this.meshData.vvs:null);this.haveSurfaceAtoms&&null!=this.meshDataServer&&this.meshDataServer.fillMeshData(this.meshData,4,null);null!=this.meshDataServer&&this.params.colorBySets&&this.meshDataServer.fillMeshData(this.meshData,3,null)});e(c$,"colorData",function(){var a=this.meshData.vvs,b=this.meshData.vcs;this.meshData.pcs=null;var c=this.jvxlData.valueMappedToBlue,d=this.jvxlData.valueMappedToRed,g=this.jvxlData.minColorIndex,
e=this.jvxlData.maxColorIndex;null==this.params.colorEncoder&&(this.params.colorEncoder=new JU.ColorEncoder(null,null));this.params.colorEncoder.setRange(this.params.valueMappedToRed,this.params.valueMappedToBlue,this.params.isColorReversed);for(var h=this.meshData.vc;0<=--h;){var f=a[h];0<=g?0>=f?b[h]=g:0<f&&(b[h]=e):(f<=d&&(f=d),f>=c&&(f=c),b[h]=this.params.colorEncoder.getColorIndex(f))}if((0<this.params.nContours||null!=this.jvxlData.contourValues)&&null==this.jvxlData.contourColixes){a=null==
this.jvxlData.contourValues?this.params.nContours:this.jvxlData.contourValues.length;b=this.jvxlData.contourColixes=Q(a,0);g=this.jvxlData.contourValues;null==g&&(g=this.jvxlData.contourValuesUsed);null==this.jvxlData.contourValuesUsed&&(this.jvxlData.contourValuesUsed=null==g?w(a,0):g);c=(c-d)/(a+1);this.params.colorEncoder.setRange(this.params.valueMappedToRed,this.params.valueMappedToBlue,this.params.isColorReversed);for(h=0;h<a;h++)e=null==g?d+(h+1)*c:g[h],this.jvxlData.contourValuesUsed[h]=e,
b[h]=JU.C.getColixTranslucent(this.params.colorEncoder.getArgb(e));this.jvxlData.contourColors=JU.C.getHexCodes(b)}});c$.getColorPhaseIndex=e(c$,"getColorPhaseIndex",function(a){for(var b=-1,c=0;c<J.jvxl.readers.SurfaceReader.colorPhases.length;c++)if(a.equalsIgnoreCase(J.jvxl.readers.SurfaceReader.colorPhases[c])){b=c;break}return b},"~S");e(c$,"getPhase",function(a){switch(this.params.colorPhase){case 0:case -1:case 1:return 0<a.x?1:-1;case 2:return 0<a.y?1:-1;case 3:return 0<a.z?1:-1;case 4:return 0<
a.x*a.y?1:-1;case 5:return 0<a.y*a.z?1:-1;case 6:return 0<a.x*a.z?1:-1;case 7:return 0<a.x*a.x-a.y*a.y?1:-1;case 8:return 0<2*a.z*a.z-a.x*a.x-a.y*a.y?1:-1}return 1},"JU.T3");e(c$,"getMinMaxMappedValues",function(a){if(null!=this.minMax&&3.4028235E38!=this.minMax[0])return this.minMax;if(this.params.colorBySets)return this.minMax=w(-1,[0,Math.max(this.meshData.nSets-1,0)]);var b=3.4028235E38,c=-3.4028235E38;if(this.params.usePropertyForColorRange&&null!=this.params.theProperty){for(a=this.params.theProperty.length;0<=
--a;)if(!this.params.rangeSelected||this.params.bsSelected.get(a)){var d=this.params.theProperty[a];Float.isNaN(d)||(d<b&&(b=d),d>c&&(c=d))}return this.minMax=w(-1,[b,c])}var d=0<this.contourVertexCount?this.contourVertexCount:this.meshData.vc,g=this.meshData.vs,e=a||this.jvxlDataIs2dContour||this.vertexDataOnly||this.params.colorDensity;for(a=this.meshData.mergeVertexCount0;a<d;a++){var h;h=e?this.meshData.vvs[a]:this.volumeData.lookupInterpolatedVoxelValue(g[a],!1);h<b&&(b=h);h>c&&3.4028235E38!=
h&&(c=h)}return this.minMax=w(-1,[b,c])},"~B");e(c$,"updateTriangles",function(){null==this.meshDataServer?this.meshData.invalidatePolygons():this.meshDataServer.invalidateTriangles()});e(c$,"updateSurfaceData",function(){this.meshData.setVertexSets(!0);this.updateTriangles();null==this.params.bsExcluded[1]&&(this.params.bsExcluded[1]=new JU.BS);this.meshData.updateInvalidatedVertices(this.params.bsExcluded[1])});e(c$,"selectPocket",function(){},"~B");e(c$,"excludeMinimumSet",function(){null!=this.meshDataServer&&
this.meshDataServer.fillMeshData(this.meshData,1,null);this.meshData.getSurfaceSet();for(var a,b=this.meshData.nSets;0<=--b;)null!=(a=this.meshData.surfaceSet[b])&&a.cardinality()<this.params.minSet&&this.meshData.invalidateSurfaceSet(b);this.updateSurfaceData();null!=this.meshDataServer&&this.meshDataServer.fillMeshData(this.meshData,3,null)});e(c$,"excludeMaximumSet",function(){null!=this.meshDataServer&&this.meshDataServer.fillMeshData(this.meshData,1,null);this.meshData.getSurfaceSet();for(var a,
b=this.meshData.nSets;0<=--b;)null!=(a=this.meshData.surfaceSet[b])&&a.cardinality()>this.params.maxSet&&this.meshData.invalidateSurfaceSet(b);this.updateSurfaceData();null!=this.meshDataServer&&this.meshDataServer.fillMeshData(this.meshData,3,null)});e(c$,"slabIsosurface",function(a){null!=this.meshDataServer&&this.meshDataServer.fillMeshData(this.meshData,1,null);this.meshData.slabPolygonsList(a,!0);null!=this.meshDataServer&&this.meshDataServer.fillMeshData(this.meshData,4,null)},"JU.Lst");e(c$,
"setVertexAnisotropy",function(a){a.x*=this.anisotropy[0];a.y*=this.anisotropy[1];a.z*=this.anisotropy[2];a.add(this.center)},"JU.T3");e(c$,"setVectorAnisotropy",function(a){this.haveSetAnisotropy=!0;a.x*=this.anisotropy[0];a.y*=this.anisotropy[1];a.z*=this.anisotropy[2]},"JU.T3");e(c$,"setVolumetricAnisotropy",function(){this.haveSetAnisotropy||(this.setVolumetricOriginAnisotropy(),this.setVectorAnisotropy(this.volumetricVectors[0]),this.setVectorAnisotropy(this.volumetricVectors[1]),this.setVectorAnisotropy(this.volumetricVectors[2]))});
e(c$,"setVolumetricOriginAnisotropy",function(){this.volumetricOrigin.setT(this.center)});e(c$,"setBBoxAll",function(){null!=this.meshDataServer&&this.meshDataServer.fillMeshData(this.meshData,1,null);this.xyzMin=new JU.P3;this.xyzMax=new JU.P3;this.meshData.setBox(this.xyzMin,this.xyzMax)});e(c$,"setBBox",function(a,b){null==this.xyzMin&&(this.xyzMin=JU.P3.new3(3.4028235E38,3.4028235E38,3.4028235E38),this.xyzMax=JU.P3.new3(-3.4028235E38,-3.4028235E38,-3.4028235E38));JU.BoxInfo.addPoint(a,this.xyzMin,
this.xyzMax,b)},"JU.T3,~N");e(c$,"getValueAtPoint",function(){return 0},"JU.T3,~B");e(c$,"initializeMapping",function(){});e(c$,"finalizeMapping",function(){});e(c$,"getSurfaceAtomIndex",function(){return-1});X(c$,"ANGSTROMS_PER_BOHR",0.5291772,"defaultMappedDataMin",0,"defaultMappedDataMax",1,"defaultCutoff",0.02,"colorPhases",A(-1,"_orb x y z xy yz xz x2-y2 z2".split(" ")))});I("J.jvxl.calc");L(["JU.TriangleData","JU.BS","$.P3","$.SB","$.V3"],"J.jvxl.calc.MarchingCubes",["java.lang.Float","J.jvxl.data.JvxlCoder"],
function(){c$=G(function(){this.volumeData=this.surfaceReader=null;this.contourType=0;this.isContoured=!1;this.cutoff=0;this.isXLowToHigh=this.isSquared=this.isCutoffAbsolute=!1;this.yzCount=this.nZ=this.nY=this.cubeCountZ=this.cubeCountY=this.cubeCountX=0;this.colorDensity=!1;this.integrateSquared=!0;this.edgeData=this.bsExcludedPlanes=this.bsExcludedTriangles=this.bsExcludedVertices=this.bsVoxels=null;this.excludePartialCubes=!0;this.mode=0;this.vertexValues=null;this.edgeCount=0;this.mappingPlane=
this.yzPlanes=this.isoPointIndexPlanes=this.edgePointIndexes=this.edgeVectors=this.voxelVertexVectors=null;this.$isInside=this.allInside=!1;this.voxelData=this.offset=null;this.nTriangles=0;this.linearOffsets=this.fReturn=this.edgeVertexPlanes=this.edgeVertexPointers=this.pointA=this.pt0=this.bsValues=null;K(this,arguments)},J.jvxl.calc,"MarchingCubes",JU.TriangleData);$(c$,function(){this.edgeData=new JU.SB;this.vertexValues=w(8,0);this.voxelVertexVectors=Array(8);this.edgeVectors=Array(12);for(var a=
12;0<=--a;)this.edgeVectors[a]=new JU.V3;this.edgePointIndexes=t(12,0);this.bsValues=new JU.BS;this.pt0=new JU.P3;this.pointA=new JU.P3;this.fReturn=w(1,0);this.linearOffsets=t(8,0)});N(c$,function(){W(this,J.jvxl.calc.MarchingCubes,[])});N(c$,function(a,b,c,d){W(this,J.jvxl.calc.MarchingCubes,[]);this.excludePartialCubes=!0;this.surfaceReader=a;this.bsVoxels=d;a=c.bsExcluded;this.bsExcludedVertices=null==a[0]?a[0]=new JU.BS:a[0];this.bsExcludedPlanes=null==a[2]?a[2]=new JU.BS:a[2];this.bsExcludedTriangles=
null==a[3]?a[3]=new JU.BS:a[3];this.mode=null!=b.getVoxelData()||null!=b.mappingPlane?1:null!=d?2:3;this.setParameters(b,c)},"J.jvxl.api.VertexDataServer,J.jvxl.data.VolumeData,J.jvxl.readers.Parameters,JU.BS");e(c$,"setParameters",function(a,b){this.volumeData=a;this.colorDensity=b.colorDensity;this.isContoured=null==b.thePlane&&b.isContoured&&!this.colorDensity;this.cutoff=b.cutoff;this.isCutoffAbsolute=b.isCutoffAbsolute;this.contourType=b.contourType;this.isSquared=b.isSquared;this.isXLowToHigh=
b.isXLowToHigh;this.cubeCountX=a.voxelCounts[0]-1;this.cubeCountY=a.voxelCounts[1]-1;this.cubeCountZ=a.voxelCounts[2]-1;a.getYzCount();null!=b.mapLattice&&(this.cubeCountX*=Math.abs(b.mapLattice.x),this.cubeCountY*=Math.abs(b.mapLattice.y),this.cubeCountZ*=Math.abs(b.mapLattice.z));this.nY=this.cubeCountY+1;this.nZ=this.cubeCountZ+1;this.yzCount=this.nY*this.nZ;null==this.bsVoxels&&(this.bsVoxels=new JU.BS);this.edgeVertexPointers=this.isXLowToHigh?J.jvxl.calc.MarchingCubes.edgeVertexPointersLowToHigh:
J.jvxl.calc.MarchingCubes.edgeVertexPointersHighToLow;this.edgeVertexPlanes=this.isXLowToHigh?J.jvxl.calc.MarchingCubes.edgeVertexPlanesLowToHigh:J.jvxl.calc.MarchingCubes.edgeVertexPlanesHighToLow;this.isoPointIndexPlanes=t(2,this.yzCount,3,0);this.yzPlanes=3==this.mode?w(2,this.yzCount,0):null;this.setLinearOffsets();this.calcVoxelVertexVectors()},"J.jvxl.data.VolumeData,J.jvxl.readers.Parameters");e(c$,"calcVoxelVertexVectors",function(){for(var a=8;0<=--a;)this.volumeData.transform(J.jvxl.calc.MarchingCubes.cubeVertexVectors[a],
this.voxelVertexVectors[a]=new JU.V3);for(a=12;0<=--a;)this.edgeVectors[a].sub2(this.voxelVertexVectors[JU.TriangleData.edgeVertexes[a+a+1]],this.voxelVertexVectors[JU.TriangleData.edgeVertexes[a+a]])});e(c$,"resetIndexPlane",function(a){for(var b=0;b<this.yzCount;b++)for(var c=0;3>c;c++)a[b][c]=-2147483648;return a},"~A");e(c$,"getEdgeData",function(){if(0>this.cubeCountX||0>this.cubeCountY||0>this.cubeCountZ)return"";this.mappingPlane=this.volumeData.mappingPlane;this.edgeCount=0;var a,b,c,d,g,
e;this.isXLowToHigh?(a=0,this.colorDensity?(b=this.cubeCountX+1,e=this.yzCount-1):(b=this.cubeCountX,e=this.yzCount-1-this.nZ-1),c=1,d=this.yzCount):(this.colorDensity?(a=this.cubeCountX,e=(this.cubeCountX+1)*this.yzCount-1):(a=this.cubeCountX-1,e=this.cubeCountX*this.yzCount-1-this.nZ-1),c=b=-1,d=-this.yzCount);g=e;this.resetIndexPlane(this.isoPointIndexPlanes[1]);this.voxelData=null;var h=this.cubeCountY+(this.colorDensity?1:0),f=this.cubeCountZ+(this.colorDensity?1:0);switch(this.mode){case 3:this.getPlane(a,
!1);break;case 1:this.voxelData=this.volumeData.getVoxelData()}this.allInside=this.colorDensity&&(0==this.cutoff||2==this.mode&&0>this.bsVoxels.nextSetBit(0));for(var m=this.colorDensity&&0==this.cutoff,n=0;a!=b;a+=c,e+=d,g=e)if(3==this.mode&&a+c<=b&&this.getPlane(a+c,!0),!this.bsExcludedPlanes.get(a)||!this.bsExcludedPlanes.get(a+c))if(this.colorDensity)for(var p=h;0<=--p;)for(var j=f;0<=--j;g--)n=this.getValue(a,p,j,g,0),(m||this.$isInside)&&this.addVertex(a,p,j,g,n);else{p=this.isoPointIndexPlanes[0];
this.isoPointIndexPlanes[0]=this.isoPointIndexPlanes[1];this.isoPointIndexPlanes[1]=this.resetIndexPlane(p);for(var u=!0,p=h;0<=--p;g--)for(j=f;0<=--j;g--){for(var q=0,z=8;0<=--z;)n=this.getValue(a,p,j,g,z),this.$isInside&&(q|=JU.TriangleData.Pwr2[z]);u&&!Float.isNaN(n)&&(u=!1);0!=q&&255!=q&&this.processOneCubical(q,a,p,j,g)&&(!this.isContoured&&!this.colorDensity)&&this.processTriangles(q)}u&&this.bsExcludedPlanes.set(a)}return this.edgeData.toString()});e(c$,"getValue",function(a,b,c,d,g){this.offset=
JU.TriangleData.cubeVertexOffsets[g];d+=this.linearOffsets[g];switch(this.mode){case 3:a=this.vertexValues[g]=this.getValueArray(a+this.offset.x,b+this.offset.y,c+this.offset.z,d,this.yzPlanes[J.jvxl.calc.MarchingCubes.yzPlanePts[g]]);this.$isInside=this.allInside||this.bsVoxels.get(d);break;case 2:this.$isInside=this.allInside||this.bsVoxels.get(d);a=this.vertexValues[g]=this.bsExcludedVertices.get(d)?NaN:this.$isInside?1:0;break;default:case 1:null==this.mappingPlane?a=this.vertexValues[g]=this.voxelData[a+
this.offset.x][b+this.offset.y][c+this.offset.z]:(this.volumeData.voxelPtToXYZ(a+this.offset.x,b+this.offset.y,c+this.offset.z,this.pt0),a=this.vertexValues[g]=this.volumeData.distanceToMappingPlane(this.pt0)),this.isSquared&&(this.vertexValues[g]*=this.vertexValues[g]),(this.$isInside=this.allInside?!0:J.jvxl.calc.MarchingCubes.isInside(this.vertexValues[g],this.cutoff,this.isCutoffAbsolute))&&this.bsVoxels.set(d)}return a},"~N,~N,~N,~N,~N");e(c$,"getPlane",function(a,b){if(!(0>a||a>this.cubeCountX))if(this.surfaceReader.getPlane(a),
b){var c=this.yzPlanes[0];this.yzPlanes[0]=this.yzPlanes[1];this.yzPlanes[1]=c}},"~N,~B");e(c$,"processTriangles",function(a){a=JU.TriangleData.triangleTable2[a];for(var b=a.length;0<=(b-=4);)this.addTriangle(a[b],a[b+1],a[b+2],a[b+3])},"~N");e(c$,"addVertex",function(a,b,c,d,g){this.volumeData.voxelPtToXYZ(a,b,c,this.pt0);0>this.surfaceReader.addVertexCopy(this.pt0,g,-4,!0)&&this.bsExcludedVertices.set(d)},"~N,~N,~N,~N,~N");e(c$,"addTriangle",function(a,b,c,d){!this.bsExcludedTriangles.get(this.nTriangles)&&
0>this.surfaceReader.addTriangleCheck(this.edgePointIndexes[a],this.edgePointIndexes[b],this.edgePointIndexes[c],d,0,this.isCutoffAbsolute,0)&&this.bsExcludedTriangles.set(this.nTriangles);this.nTriangles++},"~N,~N,~N,~N");e(c$,"getValueArray",function(a,b,c,d,g){var e=d%this.yzCount;this.bsValues.set(d);a=this.surfaceReader.getValue(a,b,c,e);this.isSquared&&(a*=a);g[e]=a;J.jvxl.calc.MarchingCubes.isInside(a,this.cutoff,this.isCutoffAbsolute)&&this.bsVoxels.set(d);return a},"~N,~N,~N,~N,~A");c$.isInside=
e(c$,"isInside",function(a,b,c){return 0<b&&(c?Math.abs(a):a)>=b||0>=b&&a<=b},"~N,~N,~B");e(c$,"processOneCubical",function(a,b,c,d,g){a=J.jvxl.calc.MarchingCubes.insideMaskTable[a];for(var e=!1,h=12;0<=--h;)if(0!=(a&JU.TriangleData.Pwr2[h])){var f=this.edgeVertexPlanes[h],m=(g+this.linearOffsets[this.edgeVertexPointers[h]])%this.yzCount,n=J.jvxl.calc.MarchingCubes.edgeTypeTable[h],p=this.edgePointIndexes[h]=this.isoPointIndexPlanes[f][m][n];if(-2147483648!=p)-1==p&&(e=this.excludePartialCubes);else{var p=
JU.TriangleData.edgeVertexes[h<<1],j=JU.TriangleData.edgeVertexes[(h<<1)+1],u=this.vertexValues[p],q=this.vertexValues[j];this.calcVertexPoint(b,c,d,p,this.pointA);this.edgeCount++;f=this.edgePointIndexes[h]=this.isoPointIndexPlanes[f][m][n]=this.surfaceReader.getSurfacePointIndexAndFraction(this.cutoff,this.isCutoffAbsolute,b,c,d,JU.TriangleData.cubeVertexOffsets[p],p,j,u,q,this.pointA,this.edgeVectors[h],n==this.contourType,this.fReturn);this.addEdgeData(0>f?NaN:this.fReturn[0]);if(Float.isNaN(this.fReturn[0])||
0>f)e=this.excludePartialCubes}}return!e},"~N,~N,~N,~N,~N");e(c$,"addEdgeData",function(a){a=J.jvxl.data.JvxlCoder.jvxlFractionAsCharacter(a);this.edgeData.appendC(a)},"~N");e(c$,"calcVertexPoint",function(a,b,c,d,g){this.volumeData.voxelPtToXYZ(a,b,c,this.pt0);g.add2(this.pt0,this.voxelVertexVectors[d])},"~N,~N,~N,~N,JU.P3");e(c$,"setLinearOffsets",function(){this.linearOffsets[0]=0;this.linearOffsets[1]=this.yzCount;this.linearOffsets[2]=this.yzCount+1;this.linearOffsets[3]=1;this.linearOffsets[4]=
this.nZ;this.linearOffsets[5]=this.yzCount+this.nZ;this.linearOffsets[6]=this.yzCount+this.nZ+1;this.linearOffsets[7]=this.nZ+1});e(c$,"getLinearOffset",function(a,b,c,d){return a*this.yzCount+b*this.nZ+c+this.linearOffsets[d]},"~N,~N,~N,~N");X(c$,"MODE_CUBE",1,"MODE_JVXL",2,"MODE_PLANES",3);X(c$,"yzPlanePts",t(-1,[0,1,1,0,0,1,1,0]),"edgeVertexPointersLowToHigh",t(-1,[1,1,2,0,5,5,6,4,0,1,2,3]),"edgeVertexPointersHighToLow",t(-1,[0,1,3,0,4,5,7,4,0,1,2,3]),"edgeVertexPlanesLowToHigh",t(-1,[1,1,1,0,
1,1,1,0,0,1,1,0]),"edgeVertexPlanesHighToLow",t(-1,[1,0,1,1,1,0,1,1,1,0,0,1]));c$.cubeVertexVectors=c$.prototype.cubeVertexVectors=A(-1,[JU.V3.new3(0,0,0),JU.V3.new3(1,0,0),JU.V3.new3(1,0,1),JU.V3.new3(0,0,1),JU.V3.new3(0,1,0),JU.V3.new3(1,1,0),JU.V3.new3(1,1,1),JU.V3.new3(0,1,1)]);X(c$,"edgeTypeTable",t(-1,[0,2,0,2,0,2,0,2,1,1,1,1]),"insideMaskTable",Q(-1,[0,265,515,778,1030,1295,1541,1804,2060,2309,2575,2822,3082,3331,3593,3840,400,153,915,666,1430,1183,1941,1692,2460,2197,2975,2710,3482,3219,3993,
3728,560,825,51,314,1590,1855,1077,1340,2620,2869,2111,2358,3642,3891,3129,3376,928,681,419,170,1958,1711,1445,1196,2988,2725,2479,2214,4010,3747,3497,3232,1120,1385,1635,1898,102,367,613,876,3180,3429,3695,3942,2154,2403,2665,2912,1520,1273,2035,1786,502,255,1013,764,3580,3317,4095,3830,2554,2291,3065,2800,1616,1881,1107,1370,598,863,85,348,3676,3925,3167,3414,2650,2899,2137,2384,1984,1737,1475,1226,966,719,453,204,4044,3781,3535,3270,3018,2755,2505,2240,2240,2505,2755,3018,3270,3535,3781,4044,204,
453,719,966,1226,1475,1737,1984,2384,2137,2899,2650,3414,3167,3925,3676,348,85,863,598,1370,1107,1881,1616,2800,3065,2291,2554,3830,4095,3317,3580,764,1013,255,502,1786,2035,1273,1520,2912,2665,2403,2154,3942,3695,3429,3180,876,613,367,102,1898,1635,1385,1120,3232,3497,3747,4010,2214,2479,2725,2988,1196,1445,1711,1958,170,419,681,928,3376,3129,3891,3642,2358,2111,2869,2620,1340,1077,1855,1590,314,51,825,560,3728,3993,3219,3482,2710,2975,2197,2460,1692,1941,1183,1430,666,915,153,400,3840,3593,3331,
3082,2822,2575,2309,2060,1804,1541,1295,1030,778,515,265,0]))});I("J.jvxl.calc");L(["JU.P3","java.util.Hashtable"],"J.jvxl.calc.MarchingSquares",["java.lang.Float","JU.AU","JU.Logger"],function(){c$=G(function(){this.volumeData=this.surfaceReader=null;this.valueMax=this.valueMin=this.thisContour=this.contourType=this.nContourSegments=0;this.pointB=this.pointA=null;this.contourFromZero=!0;this.contoursDiscrete=null;this.contourVertexCount=0;this.contourVertexes=null;na("J.jvxl.calc.MarchingSquares.ContourVertex")||
J.jvxl.calc.MarchingSquares.$MarchingSquares$ContourVertex$();this.contourPlaneMaximumValue=this.contourPlaneMinimumValue=0;this.ptTemp=this.contourValuesUsed=null;this.triangleCount=0;this.htPts=this.triangles=null;na("J.jvxl.calc.MarchingSquares.Triangle")||J.jvxl.calc.MarchingSquares.$MarchingSquares$Triangle$();K(this,arguments)},J.jvxl.calc,"MarchingSquares");$(c$,function(){this.pointA=new JU.P3;this.pointB=new JU.P3;this.contourVertexes=Array(1E3);this.ptTemp=new JU.P3;this.triangles=Array(1E3);
this.htPts=new java.util.Hashtable});N(c$,function(a,b,c,d,g,e,h){this.surfaceReader=a;this.volumeData=b;this.thisContour=e;this.contoursDiscrete=d;this.contourFromZero=h;null==d?(this.nContourSegments=(0==g?9:g)+0,100<this.nContourSegments&&(this.nContourSegments=100)):(this.nContourSegments=g=d.length,this.contourFromZero=!1)},"J.jvxl.api.VertexDataServer,J.jvxl.data.VolumeData,JU.P4,~A,~N,~N,~B");e(c$,"setMinMax",function(a,b){this.valueMin=a;this.valueMax=b},"~N,~N");e(c$,"addContourVertex",function(a,
b){this.contourVertexCount==this.contourVertexes.length&&(this.contourVertexes=JU.AU.doubleLength(this.contourVertexes));var c=this.surfaceReader.addVertexCopy(a,b,-2,!0);this.contourVertexes[this.contourVertexCount++]=ma(J.jvxl.calc.MarchingSquares.ContourVertex,this,null,a);return c},"JU.P3,~N");e(c$,"setContourData",function(a,b){this.contourVertexes[a].setValue(b)},"~N,~N");e(c$,"calcContourPoint",function(a,b,c,d){return this.volumeData.calculateFractionalPoint(a,this.pointA,this.pointB,b,c,
d)},"~N,~N,~N,JU.P3");e(c$,"addTriangle",function(a,b,c,d,g){this.triangleCount==this.triangles.length&&(this.triangles=JU.AU.doubleLength(this.triangles));this.triangles[this.triangleCount++]=ma(J.jvxl.calc.MarchingSquares.Triangle,this,null,a,b,c,d,g);return 0},"~N,~N,~N,~N,~N");e(c$,"generateContourData",function(a,b){JU.Logger.info("generateContours: "+this.nContourSegments+" segments");this.getVertexValues(a);this.createContours(this.valueMin,this.valueMax,b);this.addAllTriangles();return this.contourVertexCount},
"~B,~N");e(c$,"getVertexValues",function(a){this.contourPlaneMinimumValue=3.4028235E38;this.contourPlaneMaximumValue=-3.4028235E38;for(var b=0;b<this.contourVertexCount;b++){var c=this.contourVertexes[b],d;a?d=c.value:(d=this.volumeData.lookupInterpolatedVoxelValue(c,!1),c.setValue(d));d<this.contourPlaneMinimumValue&&(this.contourPlaneMinimumValue=d);d>this.contourPlaneMaximumValue&&(this.contourPlaneMaximumValue=d)}},"~B");e(c$,"createContours",function(a,b,c){b-=a;this.contourValuesUsed=w(this.nContourSegments,
0);for(var d=this.triangleCount;0<=--d;)this.triangles[d].check=0;for(var g=-3.4028235E38,d=0;d<this.nContourSegments;d++){g=null!=this.contoursDiscrete?this.contoursDiscrete[d]:this.contourFromZero?a+1*d/this.nContourSegments*b:0==d?-3.4028235E38:d==this.nContourSegments-1?3.4028235E38:a+1*(d-1)/(this.nContourSegments-1)*b;null==this.contoursDiscrete&&Math.abs(g)<c&&(g=0>g?-c:c);this.contourValuesUsed[d]=g;JU.Logger.info("#contour "+(d+1)+" "+g+" "+this.triangleCount);this.htPts.clear();for(var e=
this.triangleCount;0<=--e;)this.triangles[e].isValid&&this.checkContour(this.triangles[e],d,g)}this.valueMin=this.contourValuesUsed[0];this.valueMax=0==this.contourValuesUsed.length?this.valueMin:this.contourValuesUsed[this.contourValuesUsed.length-1];return!0},"~N,~N,~N");e(c$,"intercept",function(a,b,c){var d=a.pts[b];a=a.pts[(b+1)%3];if(2147483647==d||2147483647==a)return-1;b=d<a?d+"_"+a:a+"_"+d;if(this.htPts.containsKey(b))return this.htPts.get(b).intValue();var g=this.contourVertexes[d].value,
e=this.contourVertexes[a].value,h=-1;if(g!=e){var f=(c-g)/(e-g);if(0<=f&&1>=f&&(this.pointA.setT(this.contourVertexes[d]),this.pointB.setT(this.contourVertexes[a]),c=this.calcContourPoint(c,g,e,this.ptTemp),!Float.isNaN(c))){h=this.addContourVertex(this.ptTemp,c);if(0>h)return-1;this.contourVertexes[h].setValue(c)}}this.htPts.put(b,Integer.$valueOf(h));return h},"J.jvxl.calc.MarchingSquares.Triangle,~N,~N");e(c$,"checkContour",function(a,b,c){if(!(0<this.thisContour&&b+1!=this.thisContour)){var d=
this.intercept(a,0,c),g=this.intercept(a,1,c);c=this.intercept(a,2,c);var e=a.pts,h=0;0<=d&&(h+=1);0<=g&&(h+=2);0<=c&&(h+=4);switch(h){case 3:this.addTriangle(e[0],d,g,2|a.check&1,b);this.addTriangle(d,e[1],g,4|a.check&3,b);this.addTriangle(e[0],g,e[2],a.check&6,b);break;case 5:this.addTriangle(e[0],d,c,2|a.check&5,b);this.addTriangle(d,e[1],c,4|a.check&1,b);this.addTriangle(c,e[1],e[2],a.check&6,b);break;case 6:this.addTriangle(e[0],e[1],c,a.check&5,b);this.addTriangle(c,e[1],g,4|a.check&2,b);this.addTriangle(c,
g,e[2],1|a.check&6,b);break;default:return}a.isValid=!1}},"J.jvxl.calc.MarchingSquares.Triangle,~N,~N");e(c$,"getMinMax",function(){return w(-1,[this.valueMin,this.valueMax])});e(c$,"addAllTriangles",function(){for(var a=0;a<this.triangleCount;a++)if(this.triangles[a].isValid){var b=this.triangles[a];this.surfaceReader.addTriangleCheck(b.pts[0],b.pts[1],b.pts[2],b.check,b.contourIndex,!1,-1)}});c$.$MarchingSquares$ContourVertex$=function(){ga(self.c$);c$=G(function(){oa(this,arguments);this.value=
0;K(this,arguments)},J.jvxl.calc.MarchingSquares,"ContourVertex",JU.P3);N(c$,function(a){W(this,J.jvxl.calc.MarchingSquares.ContourVertex,[]);this.setT(a)},"JU.P3");e(c$,"setValue",function(a){this.value=a},"~N");j(c$,"toString",function(){return this.value+" "+this.x+" "+this.y+" "+this.z});c$=fa()};c$.$MarchingSquares$Triangle$=function(){ga(self.c$);c$=G(function(){oa(this,arguments);this.pts=null;this.check=0;this.isValid=!0;this.contourIndex=0;K(this,arguments)},J.jvxl.calc.MarchingSquares,"Triangle");
N(c$,function(a,b,c,d,g){this.pts=t(-1,[a,b,c]);this.check=d;this.contourIndex=g},"~N,~N,~N,~N,~N");c$=fa()};X(c$,"CONTOUR_POINT",-1,"VERTEX_POINT",-2,"EDGE_POINT",-3,"nContourMax",100,"defaultContourCount",9)});I("J.shapesurface");L(["J.shape.Mesh"],"J.shapesurface.IsosurfaceMesh","java.lang.Float java.util.Hashtable JU.AU $.BS $.CU $.Lst $.M4 $.P3 $.P3i $.PT $.SB $.V3 J.api.Interface J.jvxl.data.JvxlCoder $.JvxlData JS.T JU.C $.ColorEncoder $.Logger JV.Viewer".split(" "),function(){c$=G(function(){this.jvxlData=
null;this.vertexIncrement=1;this.firstRealVertex=-1;this.dataType=0;this.hasGridPoints=!1;this.assocGridPointNormals=this.assocGridPointMap=this.info=this.calculatedVolume=this.calculatedArea=null;this.mergeAssociatedNormalCount=0;this.bsVdw=this.colorEncoder=this.contourColixes=this.contourValues=this.centers=null;this.colorPhased=!1;K(this,arguments)},J.shapesurface,"IsosurfaceMesh",J.shape.Mesh);j(c$,"getResolution",function(){return 1/this.jvxlData.pointsPerAngstrom});N(c$,function(a,b,c,d){this.mesh1(a,
b,c,d);this.jvxlData=new J.jvxl.data.JvxlData;this.checkByteCount=2;this.jvxlData.version=JV.Viewer.getJmolVersion()},"JV.Viewer,~S,~N,~N");e(c$,"clearType",function(a,b){this.clear(a);this.jvxlData.clear();this.colorEncoder=this.centers=this.calculatedArea=this.calculatedVolume=this.bsVdw=this.assocGridPointNormals=this.assocGridPointMap=null;this.colorsExplicit=this.colorPhased=!1;this.firstRealVertex=-1;this.hasGridPoints=b;this.isColorSolid=!0;this.nSets=this.mergeAssociatedNormalCount=0;this.pcs=
null;this.showPoints=b;this.vertexColorMap=this.vcs=this.surfaceSet=null;this.vertexIncrement=1;this.vvs=this.vertexSets=null},"~S,~B");e(c$,"allocVertexColixes",function(){if(null==this.vcs){this.vcs=Q(this.vc,0);for(var a=this.vc;0<=--a;)this.vcs[a]=this.colix}this.isColorSolid=!1});e(c$,"addVertexCopy",function(a,b,c,d,g){a=this.addVCVal(a,b,g);switch(c){case -1:0>this.firstRealVertex&&(this.firstRealVertex=a);break;case -2:this.hasGridPoints=!0;break;case -3:this.vertexIncrement=3;break;default:0>
this.firstRealVertex&&(this.firstRealVertex=a),d&&(null==this.assocGridPointMap&&(this.assocGridPointMap=new java.util.Hashtable),this.assocGridPointMap.put(Integer.$valueOf(a),Integer.$valueOf(c+this.mergeAssociatedNormalCount)))}return a},"JU.T3,~N,~N,~B,~B");j(c$,"setTranslucent",function(a,b){this.colix=JU.C.getColixTranslucent3(this.colix,a,b);if(null!=this.vcs)for(var c=this.vc;0<=--c;)this.vcs[c]=JU.C.getColixTranslucent3(this.vcs[c],a,b)},"~B,~N");e(c$,"setMerged",function(a){this.mergePolygonCount0=
(this.isMerged=a)?this.pc:0;this.mergeVertexCount0=a?this.vc:0;a&&(this.mergeAssociatedNormalCount+=this.jvxlData.nPointsX*this.jvxlData.nPointsY*this.jvxlData.nPointsZ,this.assocGridPointNormals=null)},"~B");j(c$,"sumVertexNormals",function(a,b){J.shape.Mesh.sumVertexNormals2(this,a,b);if(null!=this.assocGridPointMap&&0<b.length&&!this.isMerged){null==this.assocGridPointNormals&&(this.assocGridPointNormals=new java.util.Hashtable);for(var c,d=this.assocGridPointMap.entrySet().iterator();d.hasNext()&&
((c=d.next())||1);){var g=c.getValue();this.assocGridPointNormals.containsKey(g)||this.assocGridPointNormals.put(g,JU.V3.new3(0,0,0));this.assocGridPointNormals.get(g).add(b[c.getKey().intValue()])}for(d=this.assocGridPointMap.entrySet().iterator();d.hasNext()&&((c=d.next())||1);)b[c.getKey().intValue()]=this.assocGridPointNormals.get(c.getValue())}},"~A,~A");e(c$,"getCenters",function(){if(null!=this.centers)return this.centers;this.centers=Array(this.pc);for(var a=0;a<this.pc;a++){var b=this.pis[a];
if(null!=b){var c=this.centers[a]=JU.P3.newP(this.vs[b[0]]);c.add(this.vs[b[1]]);c.add(this.vs[b[2]]);c.scale(0.33333334)}}return this.centers});e(c$,"getContours",function(){var a=this.jvxlData.nContours;if(0==a||null==this.pis||(this.havePlanarContours=null!=this.jvxlData.jvxlPlane))return null;0>a&&(a=-1-a);var b=this.jvxlData.vContours;if(null!=b){for(var c=0;c<a&&!(6<b[c].size());c++)J.jvxl.data.JvxlCoder.set3dContourVector(b[c],this.pis,this.vs);return this.jvxlData.vContours}b=Array(a);for(c=
0;c<a;c++)b[c]=new JU.Lst;if(null==this.jvxlData.contourValuesUsed){for(var d=(this.jvxlData.valueMappedToBlue-this.jvxlData.valueMappedToRed)/(a+1),c=0;c<a;c++){var g=this.jvxlData.valueMappedToRed+(c+1)*d;J.shapesurface.IsosurfaceMesh.get3dContour(this,b[c],g,this.jvxlData.contourColixes[c])}JU.Logger.info(a+" contour lines; separation = "+d)}else for(c=0;c<a;c++)g=this.jvxlData.contourValuesUsed[c],J.shapesurface.IsosurfaceMesh.get3dContour(this,b[c],g,this.jvxlData.contourColixes[c]);this.jvxlData.contourColixes=
Q(a,0);this.jvxlData.contourValues=w(a,0);for(c=0;c<a;c++)this.jvxlData.contourValues[c]=b[c].get(2).floatValue(),this.jvxlData.contourColixes[c]=b[c].get(3)[0];return this.jvxlData.vContours=b});c$.get3dContour=e(c$,"get3dContour",function(a,b,c,d){var g=JU.BS.newN(a.pc),e=new JU.SB,h=JU.C.getArgb(d);J.shapesurface.IsosurfaceMesh.setContourVector(b,a.pc,g,c,d,h,e);for(d=0;d<a.pc;d++)null!=a.setABC(d)&&J.shapesurface.IsosurfaceMesh.addContourPoints(b,g,d,e,a.vs,a.vvs,a.iA,a.iB,a.iC,c)},"J.shapesurface.IsosurfaceMesh,JU.Lst,~N,~N");
c$.setContourVector=e(c$,"setContourVector",function(a,b,c,d,g,e,h){a.add(0,Integer.$valueOf(b));a.add(1,c);a.add(2,Float.$valueOf(d));a.add(3,Q(-1,[g]));a.add(4,t(-1,[e]));a.add(5,h)},"JU.Lst,~N,JU.BS,~N,~N,~N,JU.SB");c$.addContourPoints=e(c$,"addContourPoints",function(a,b,c,d,g,e,h,f,m,n){var p=null,j=null,u=0,q=J.shapesurface.IsosurfaceMesh.checkPt(e,h,f,n);Float.isNaN(q)||(p=J.shapesurface.IsosurfaceMesh.getContourPoint(g,h,f,q),u|=1);var z=1==q?NaN:J.shapesurface.IsosurfaceMesh.checkPt(e,f,
m,n);Float.isNaN(z)||(j=J.shapesurface.IsosurfaceMesh.getContourPoint(g,f,m,z),0==u&&(p=j,q=z),u|=2);switch(u){case 0:return;case 1:if(0==q)return;case 2:z=1==z?NaN:J.shapesurface.IsosurfaceMesh.checkPt(e,m,h,n),Float.isNaN(z)||(j=J.shapesurface.IsosurfaceMesh.getContourPoint(g,m,h,z),u|=4)}switch(u){case 3:case 5:case 6:break;default:return}b.set(c);J.jvxl.data.JvxlCoder.appendContourTriangleIntersection(u,q,z,d);a.addLast(p);a.addLast(j)},"JU.Lst,JU.BS,~N,JU.SB,~A,~A,~N,~N,~N,~N");c$.checkPt=e(c$,
"checkPt",function(a,b,c,d){var g,e;return d==(g=a[b])?0:d==(e=a[c])?1:g<d==d<e?(d-g)/(e-g):NaN},"~A,~N,~N,~N");c$.getContourPoint=e(c$,"getContourPoint",function(a,b,c,d){var g=new JU.P3;g.sub2(a[c],a[b]);g.scaleAdd2(d,g,a[b]);return g},"~A,~N,~N,~N");e(c$,"setDiscreteColixes",function(a,b){null!=a&&(this.jvxlData.contourValues=a);if(null==a||0==a.length)a=this.jvxlData.contourValues=this.jvxlData.contourValuesUsed;null==b&&null!=this.jvxlData.contourColixes?b=this.jvxlData.contourColixes:(this.jvxlData.contourColixes=
b,this.jvxlData.contourColors=JU.C.getHexCodes(b));if(!(null==this.vs||null==this.vvs||null==a)){var c=a.length,d=a[c-1];this.colorCommand=null;var g=null!=b&&0<b.length;this.isColorSolid=g&&null!=this.jvxlData.jvxlPlane;if(null!=this.jvxlData.vContours){if(g)for(var e=0;e<this.jvxlData.vContours.length;e++)c=b[e%b.length],this.jvxlData.vContours[e].get(3)[0]=c,this.jvxlData.vContours[e].get(4)[0]=JU.C.getArgb(c)}else{this.pcs=Q(this.pc,0);this.colorsExplicit=!1;for(e=0;e<this.pc;e++){var h=this.pis[e];
if(null!=h){this.pcs[e]=0;for(var h=(this.vvs[h[0]]+this.vvs[h[1]]+this.vvs[h[2]])/3,f=c;0<=--f;)if(h>=a[f]&&h<d){this.pcs[e]=g?b[f%b.length]:0;break}}}}}},"~A,~A");e(c$,"getContourList",function(){var a=new java.util.Hashtable;a.put("values",null==this.jvxlData.contourValuesUsed?this.jvxlData.contourValues:this.jvxlData.contourValuesUsed);var b=new JU.Lst;if(null!=this.jvxlData.contourColixes){for(var c=0;c<this.jvxlData.contourColixes.length;c++)b.addLast(JU.CU.colorPtFromInt(JU.C.getArgb(this.jvxlData.contourColixes[c]),
null));a.put("colors",b)}return a},"JV.Viewer");e(c$,"deleteContours",function(){this.jvxlData.contourValuesUsed=null;this.jvxlData.contourValues=null;this.jvxlData.contourColixes=null;this.jvxlData.vContours=null});e(c$,"setVertexColorMap",function(){this.vertexColorMap=new java.util.Hashtable;for(var a=-999,b=null,c=this.vc;0<=--c;){var d=this.vcs[c];d!=a&&(d=JU.C.getHexCode(a=d),b=this.vertexColorMap.get(d),null==b&&this.vertexColorMap.put(d,b=new JU.BS));b.set(c)}});e(c$,"setVertexColixesForAtoms",
function(a,b,c,d){this.jvxlData.vertexDataOnly=!0;this.jvxlData.vertexColors=t(this.vc,0);this.jvxlData.nVertexColors=this.vc;var g=a.ms.at;a=a.gdata;for(var e=this.mergeVertexCount0;e<this.vc;e++){var h=this.vertexSource[e];if(!(0>h)&&d.get(h)){this.jvxlData.vertexColors[e]=a.getColorArgbOrGray(this.vcs[e]=JU.C.copyColixTranslucency(this.colix,g[h].colixAtom));var f=null==b?0:b[c[h]];0==f&&(f=g[h].colixAtom);this.vcs[e]=JU.C.copyColixTranslucency(this.colix,f)}}},"JV.Viewer,~A,~A,JU.BS");e(c$,"colorVertices",
function(a,b,c){if(null!=this.vertexSource){a=JU.C.copyColixTranslucency(this.colix,a);var d=c?new JU.BS:b;this.checkAllocColixes();if(c)for(var g=0;g<this.vc;g++){var e=this.vertexSource[g];0<=e&&b.get(e)&&(this.vcs[g]=a,null!=d&&d.set(g))}else for(g=0;g<this.vc;g++)d.get(g)&&(this.vcs[g]=a);c&&(a=JU.C.getHexCode(a),null==this.vertexColorMap&&(this.vertexColorMap=new java.util.Hashtable),J.shapesurface.IsosurfaceMesh.addColorToMap(this.vertexColorMap,a,b))}},"~N,JU.BS,~B");e(c$,"checkAllocColixes",
function(){(null==this.vcs||null==this.vertexColorMap&&this.isColorSolid)&&this.allocVertexColixes();this.isColorSolid=!1});c$.addColorToMap=e(c$,"addColorToMap",function(a,b,c){for(var d=null,g,e=a.entrySet().iterator();e.hasNext()&&((g=e.next())||1);)g.getKey()===b?(d=g.getValue(),d.or(c)):g.getValue().andNot(c);null==d&&a.put(b,c)},"java.util.Map,~S,JU.BS");e(c$,"setJvxlColorMap",function(a){this.jvxlData.diameter=this.diameter;this.jvxlData.color=JU.C.getHexCode(this.colix);this.jvxlData.meshColor=
0==this.meshColix?null:JU.C.getHexCode(this.meshColix);this.jvxlData.translucency=30720==(this.colix&30720)?-1:JU.C.getColixTranslucencyFractional(this.colix);this.jvxlData.rendering=this.getRendering().substring(1);this.jvxlData.colorScheme=null==this.colorEncoder?null:this.colorEncoder.getColorScheme();null==this.jvxlData.vertexColors&&(this.jvxlData.nVertexColors=null==this.vertexColorMap?0:this.vertexColorMap.size());if(!(null==this.vertexColorMap||null==this.vertexSource||!a)){null==this.jvxlData.vertexColorMap&&
(this.jvxlData.vertexColorMap=new java.util.Hashtable);var b;for(a=this.vertexColorMap.entrySet().iterator();a.hasNext()&&((b=a.next())||1);){var c=b.getValue();if(!c.isEmpty()){for(var d=b.getKey(),g=new JU.BS,e=0;e<this.vc;e++)c.get(this.vertexSource[e])&&g.set(e);J.shapesurface.IsosurfaceMesh.addColorToMap(this.jvxlData.vertexColorMap,d,g)}}this.jvxlData.nVertexColors=this.jvxlData.vertexColorMap.size();0==this.jvxlData.vertexColorMap.size()&&(this.jvxlData.vertexColorMap=null)}},"~B");e(c$,"setColorCommand",
function(){null!=this.colorEncoder&&(this.colorCommand=this.colorEncoder.getColorScheme(),this.colorCommand.equals("inherit")?this.colorCommand="#inherit;":null!=this.colorCommand&&(this.colorCommand="color $"+(JU.PT.isLetter(this.thisID.charAt(0))&&0>this.thisID.indexOf(" ")?this.thisID:'"'+this.thisID+'"')+' "'+this.colorCommand+'" range '+(this.jvxlData.isColorReversed?this.jvxlData.valueMappedToBlue+" "+this.jvxlData.valueMappedToRed:this.jvxlData.valueMappedToRed+" "+this.jvxlData.valueMappedToBlue)))});
e(c$,"setColorsFromJvxlData",function(a){this.diameter=this.jvxlData.diameter;-1!=a&&(-2147483648!=a&&2147483647!=a?this.colix=JU.C.getColix(a):null!=this.jvxlData.color&&(this.colix=JU.C.getColixS(this.jvxlData.color)));0==this.colix&&(this.colix=5);this.colix=JU.C.getColixTranslucent3(this.colix,0!=this.jvxlData.translucency,this.jvxlData.translucency);a=0==this.jvxlData.translucency?NaN:this.jvxlData.translucency;null!=this.jvxlData.meshColor&&(this.meshColix=JU.C.getColixS(this.jvxlData.meshColor));
this.setJvxlDataRendering();this.isColorSolid=!this.jvxlData.isBicolorMap&&null==this.jvxlData.vertexColors&&null==this.jvxlData.vertexColorMap;if(null==this.colorEncoder)return!1;if(null==this.jvxlData.vertexColorMap){if(null!=this.jvxlData.colorScheme){var b=this.jvxlData.colorScheme,c=b.startsWith("translucent ");c&&(b=b.substring(12),a=NaN);this.colorEncoder.setColorScheme(b,c);this.remapColors(null,null,a)}}else{if(null!=this.jvxlData.baseColor)for(a=this.vc;0<=--a;)this.vcs[a]=this.colix;for(c=
this.jvxlData.vertexColorMap.entrySet().iterator();c.hasNext()&&((b=c.next())||1);){var d=b.getValue(),g=JU.C.copyColixTranslucency(this.colix,JU.C.getColixS(b.getKey()));for(a=d.nextSetBit(0);0<=a;a=d.nextSetBit(a+1))this.vcs[a]=g}}return!0},"~N");e(c$,"setJvxlDataRendering",function(){if(null!=this.jvxlData.rendering)for(var a=JU.PT.getTokens(this.jvxlData.rendering),b=0;b<a.length;b++)this.setTokenProperty(JS.T.getTokFromName(a[b]),!0)});e(c$,"remapColors",function(a,b,c){null==b&&(b=this.colorEncoder);
null==b&&(b=this.colorEncoder=new JU.ColorEncoder(null,a));this.colorEncoder=b;this.setColorCommand();Float.isNaN(c)?c=JU.C.getColixTranslucencyLevel(this.colix):this.colix=JU.C.getColixTranslucent3(this.colix,!0,c);var d=b.lo,g=b.hi,e=null!=this.vertexSource&&15==b.currentPalette;this.pcs=this.vertexColorMap=null;this.colorsExplicit=!1;this.jvxlData.baseColor=null;this.jvxlData.vertexCount=this.vc;if(!(null==this.vvs||0==this.jvxlData.vertexCount))if((null==this.vcs||this.vcs.length!=this.vc)&&this.allocVertexColixes(),
e){this.jvxlData.vertexDataOnly=!0;this.jvxlData.vertexColors=t(this.vc,0);this.jvxlData.nVertexColors=this.vc;b=a.ms.at;c=a.gdata;for(a=this.mergeVertexCount0;a<this.vc;a++)d=this.vertexSource[a],0<=d&&d<b.length&&(this.jvxlData.vertexColors[a]=c.getColorArgbOrGray(this.vcs[a]=JU.C.copyColixTranslucency(this.colix,b[d].colixAtom)))}else if(this.jvxlData.vertexColors=null,this.jvxlData.vertexColorMap=null,this.jvxlData.isBicolorMap)for(a=this.mergeVertexCount0;a<this.vc;a++)this.vcs[a]=JU.C.copyColixTranslucency(this.colix,
0>this.vvs[a]?this.jvxlData.minColorIndex:this.jvxlData.maxColorIndex);else{this.jvxlData.isColorReversed=b.isReversed;3.4028235E38!=g&&(this.jvxlData.valueMappedToRed=d,this.jvxlData.valueMappedToBlue=g);b.setRange(this.jvxlData.valueMappedToRed,this.jvxlData.valueMappedToBlue,this.jvxlData.isColorReversed);d=JU.C.isColixTranslucent(this.colix);b.isTranslucent&&(d||(this.colix=JU.C.getColixTranslucent3(this.colix,!0,0.5)),d=!1);this.vcs=JU.AU.ensureLengthShort(this.vcs,this.vc);for(a=this.vc;--a>=
this.mergeVertexCount0;)this.vcs[a]=b.getColorIndex(this.vvs[a]);this.setTranslucent(d,c);this.colorEncoder=b;c=this.getContours();if(null!=c)for(a=c.length;0<=--a;)d=c[a].get(2).floatValue(),g=c[a].get(3),g[0]=b.getColorIndex(d),c[a].get(4)[0]=JU.C.getArgb(g[0]);if(null!=this.contourValues){this.contourColixes=Q(this.contourValues.length,0);for(a=0;a<this.contourValues.length;a++)this.contourColixes[a]=b.getColorIndex(this.contourValues[a]);this.setDiscreteColixes(null,null)}this.jvxlData.isJvxlPrecisionColor=
!0;J.jvxl.data.JvxlCoder.jvxlCreateColorData(this.jvxlData,this.vvs);this.setColorCommand();this.isColorSolid=!1}},"JV.Viewer,JU.ColorEncoder,~N");e(c$,"reinitializeLightingAndColor",function(a){this.initialize(this.lighting,null,null);if(null!=this.colorEncoder||this.jvxlData.isBicolorMap)this.vcs=null,this.remapColors(a,null,NaN)},"JV.Viewer");j(c$,"getBoundingBox",function(){return this.jvxlData.boundingBox});j(c$,"setBoundingBox",function(a){this.jvxlData.boundingBox=a},"~A");e(c$,"merge",function(a){var b=
this.vc+(null==a?0:a.vc);null==this.pis&&(this.pis=t(0,0,0));null!=a&&null==a.pis&&(a.pis=t(0,0,0));var c=(null==this.bsSlabDisplay||0==this.pc?this.pc:this.bsSlabDisplay.cardinality())+(null==a||0==a.pc?0:null==a.bsSlabDisplay?a.pc:a.bsSlabDisplay.cardinality());null==this.vs&&(this.vs=[]);this.vs=JU.AU.ensureLength(this.vs,b);this.vvs=JU.AU.ensureLengthA(this.vvs,b);var d=null!=this.vertexSource&&(null==a||null!=a.vertexSource);this.vertexSource=JU.AU.ensureLengthI(this.vertexSource,b);var g=JU.AU.newInt2(c),
e=J.shapesurface.IsosurfaceMesh.mergePolygons(this,0,0,g);if(null!=a){J.shapesurface.IsosurfaceMesh.mergePolygons(a,e,this.vc,g);for(e=0;e<a.vc;e++,this.vc++)this.vs[this.vc]=a.vs[e],this.vvs[this.vc]=a.vvs[e],d&&(this.vertexSource[this.vc]=a.vertexSource[e])}this.pc=this.polygonCount0=c;this.vc=this.vertexCount0=b;0<c&&this.resetSlab();this.pis=g},"J.jvxl.data.MeshData");c$.mergePolygons=e(c$,"mergePolygons",function(a,b,c,d){for(var g,e=0;e<a.pc;e++)if(!(null==(g=a.pis[e])||null!=a.bsSlabDisplay&&
!a.bsSlabDisplay.get(e)))if(d[b++]=a.pis[e],0<c)for(var h=0;3>h;h++)g[h]+=c;return b},"JU.MeshSurface,~N,~N,~A");j(c$,"getUnitCell",function(){return null!=this.unitCell||null!=(this.unitCell=this.vwr.ms.am[this.modelIndex].biosymmetry)||null!=(this.unitCell=this.vwr.ms.getUnitCell(this.modelIndex))||null!=this.spanningVectors&&null!=(this.unitCell=J.api.Interface.getSymmetry(this.vwr,"symmetry").getUnitCell(this.spanningVectors,!0,null))?this.unitCell:null});e(c$,"fixLattice",function(){if(null!=
this.getUnitCell()){var a=new JU.P3i,b=JU.P3i.new3(y(this.lattice.x),y(this.lattice.y),y(this.lattice.z));this.jvxlData.fixedLattice=this.lattice;this.lattice=null;this.unitCell.setMinMaxLatticeParameters(a,b);var c=(b.x-a.x)*(b.y-a.y)*(b.z-a.z),d=new JU.P3,e=this.vc,f=c*this.vc;this.vs=JU.AU.arrayCopyPt(this.vs,f);this.vvs=null==this.vvs?null:JU.AU.ensureLengthA(this.vvs,f);var h=this.pc;this.pis=JU.AU.arrayCopyII(this.pis,c*this.pc);c=0;this.normixes=JU.AU.arrayCopyShort(this.normixes,f);for(f=
a.x;f<b.x;f++)for(var j=a.y;j<b.y;j++)for(var m=a.z;m<b.z;m++)if(!(0==f&&0==j&&0==m)){d.set(f,j,m);this.unitCell.toCartesian(d,!1);for(var n=0;n<e;n++){this.normixes[this.vc]=this.normixes[n];var p=JU.P3.newP(this.vs[n]);p.add(d);this.addVCVal(p,this.vvs[n],!1)}c+=e;for(n=0;n<h;n++)p=JU.AU.arrayCopyI(this.pis[n],-1),p[0]+=c,p[1]+=c,p[2]+=c,this.addPolygon(p,null)}a=new JU.P3;b=new JU.P3;this.setBox(a,b);this.jvxlData.boundingBox=A(-1,[a,b])}});j(c$,"getMinDistance2ForVertexGrouping",function(){return null!=
this.jvxlData.boundingBox&&null!=this.jvxlData.boundingBox[0]&&5>this.jvxlData.boundingBox[1].distanceSquared(this.jvxlData.boundingBox[0])?1E-10:1E-8});j(c$,"getVisibleVertexBitSet",function(){var a=this.getVisibleVBS();if(0<=this.jvxlData.thisSet)for(var b=0;b<this.vc;b++)this.vertexSets[b]!=this.jvxlData.thisSet&&a.clear(b);return a});e(c$,"updateCoordinates",function(a,b){var c=null==b;if(!c)for(var d=0;d<this.connections.length;d++)if(0<=this.connections[d]&&b.get(this.connections[d])){c=!0;
break}c&&(null==this.mat4&&(this.mat4=JU.M4.newM4(null)),this.mat4.mul2(a,this.mat4),this.recalcAltVertices=!0)},"JU.M4,JU.BS")});I("J.jvxl.readers");L(["J.jvxl.readers.SurfaceReader"],"J.jvxl.readers.VolumeDataReader",["java.lang.Float","JU.AU","$.SB","J.jvxl.data.JvxlCoder","JU.Logger"],function(){c$=G(function(){this.dataType=0;this.allowMapData=this.precalculateVoxelData=!1;this.point=null;this.maxGrid=this.ptsPerAngstrom=0;this.useOriginStepsPoints=!1;K(this,arguments)},J.jvxl.readers,"VolumeDataReader",
J.jvxl.readers.SurfaceReader);N(c$,function(){W(this,J.jvxl.readers.VolumeDataReader,[])});j(c$,"init",function(a){this.initVDR(a)},"J.jvxl.readers.SurfaceGenerator");e(c$,"initVDR",function(a){this.initSR(a);this.useOriginStepsPoints=null!=this.params.origin&&null!=this.params.points&&null!=this.params.steps;this.dataType=this.params.dataType;this.allowMapData=this.precalculateVoxelData=!0},"J.jvxl.readers.SurfaceGenerator");e(c$,"setup",function(){this.jvxlFileHeaderBuffer=(new JU.SB).append("volume data read from file\n\n");
J.jvxl.data.JvxlCoder.jvxlCreateHeaderWithoutTitleOrAtoms(this.volumeData,this.jvxlFileHeaderBuffer)},"~B");j(c$,"readVolumeParameters",function(a){this.setup(a);this.initializeVolumetricData();return!0},"~B");j(c$,"readVolumeData",function(a){try{this.readSurfaceData(a)}catch(b){if(T(b,Exception))return System.out.println(b.toString()),!1;throw b;}return!0},"~B");e(c$,"readVoxelDataIndividually",function(a){if(!a||this.allowMapData)if(!a||null!=this.volumeData.sr)this.volumeData.setVoxelDataAsArray(this.voxelData=
null);else{this.newVoxelDataCube();for(a=0;a<this.nPointsX;++a){var b=JU.AU.newFloat2(this.nPointsY);this.voxelData[a]=b;for(var c=0,d=0;d<this.nPointsY;++d)for(var e=b[d]=w(this.nPointsZ,0),f=0;f<this.nPointsZ;++f,++c)e[f]=this.getValue(a,d,f,c)}}},"~B");e(c$,"setVolumeData",function(){});e(c$,"setVolumeDataParams",function(){if(null!=this.params.volumeData)return this.setVolumeDataV(this.params.volumeData),!0;if(!this.useOriginStepsPoints)return!1;this.volumetricOrigin.setT(this.params.origin);
this.volumetricVectors[0].set(this.params.steps.x,0,0);this.volumetricVectors[1].set(0,this.params.steps.y,0);this.volumetricVectors[2].set(0,0,this.params.steps.z);this.voxelCounts[0]=y(this.params.points.x);this.voxelCounts[1]=y(this.params.points.y);this.voxelCounts[2]=y(this.params.points.z);if(1>this.voxelCounts[0]||1>this.voxelCounts[1]||1>this.voxelCounts[2])return!1;this.showGridInfo();return!0});e(c$,"showGridInfo",function(){JU.Logger.info("grid origin  = "+this.params.origin);JU.Logger.info("grid steps   = "+
this.params.steps);JU.Logger.info("grid points  = "+this.params.points);this.ptTemp.x=this.params.steps.x*this.params.points.x;this.ptTemp.y=this.params.steps.y*this.params.points.y;this.ptTemp.z=this.params.steps.z*this.params.points.z;JU.Logger.info("grid lengths = "+this.ptTemp);this.ptTemp.add(this.params.origin);JU.Logger.info("grid max xyz = "+this.ptTemp)});e(c$,"setVoxelRange",function(a,b,c,d,e,f){b>=c&&(b=-10,c=10);var h=c-b,j=this.params.resolution;3.4028235E38!=j&&(d=j);c=F(Math.floor(h*
d))+1;c>e&&(0<(this.dataType&256)?3.4028235E38==j?(this.isQuiet||JU.Logger.info("Maximum number of voxels for index="+a+" exceeded ("+c+") -- set to "+e),c=e):this.isQuiet||JU.Logger.info("Warning -- high number of grid points: "+c):3.4028235E38==j&&(c=e));d=(c-1)/h;d<f&&(c=F(Math.floor(f*h+1)),d=(c-1)/h);e=this.volumeData.volumetricVectorLengths[a]=1/d;this.voxelCounts[a]=c;this.isQuiet||JU.Logger.info("isosurface resolution for axis "+(a+1)+" set to "+d+" points/Angstrom; "+this.voxelCounts[a]+
" voxels");switch(a){case 0:this.volumetricVectors[0].set(e,0,0);this.volumetricOrigin.x=b;break;case 1:this.volumetricVectors[1].set(0,e,0);this.volumetricOrigin.y=b;break;case 2:this.volumetricVectors[2].set(0,0,e),this.volumetricOrigin.z=b,this.isEccentric&&this.eccentricityMatrix.rotate(this.volumetricOrigin),null!=this.center&&!Float.isNaN(this.center.x)&&this.volumetricOrigin.add(this.center)}this.isEccentric&&this.eccentricityMatrix.rotate(this.volumetricVectors[a]);return this.voxelCounts[a]},
"~N,~N,~N,~N,~N,~N");j(c$,"readSurfaceData",function(a){this.readSurfaceDataVDR(a)},"~B");e(c$,"readSurfaceDataVDR",function(a){this.isProgressive&&!a?(this.nDataPoints=this.volumeData.setVoxelCounts(this.nPointsX,this.nPointsY,this.nPointsZ),this.voxelData=null):this.precalculateVoxelData?this.generateCube():this.readVoxelDataIndividually(a)},"~B");e(c$,"generateCube",function(){JU.Logger.info("data type: user volumeData");JU.Logger.info("voxel grid origin:"+this.volumetricOrigin);for(var a=0;3>
a;++a)JU.Logger.info("voxel grid vector:"+this.volumetricVectors[a]);JU.Logger.info("Read "+this.nPointsX+" x "+this.nPointsY+" x "+this.nPointsZ+" data points")});j(c$,"closeReader",function(){})});I("J.jvxl.readers");L(["J.jvxl.readers.VolumeDataReader","JU.BS","$.P3","$.P3i","J.atomdata.AtomData"],"J.jvxl.readers.AtomDataReader","java.lang.Float java.util.Date JU.AU $.SB $.V3 J.atomdata.RadiusData J.c.VDW J.jvxl.data.JvxlCoder JU.BSUtil $.Logger".split(" "),function(){c$=G(function(){this.maxDistance=
0;this.fileDotModel=this.fileName=this.contactPair=null;this.modelIndex=0;this.myIndex=this.atomIndex=this.atomNo=this.atomProp=this.atomRadius=this.atomXyz=this.atomData=null;this.firstNearbyAtom=this.nearbyAtomCount=this.myAtomCount=this.ac=0;this.bsNearby=this.bsMyIgnored=this.bsMySelected=null;this.doUseIterator=this.havePlane=this.doAddHydrogens=!1;this.theProperty=0;this.haveOneProperty=!1;this.sr=this.minPtsPerAng=0;this.rs2=this.rs=null;this.maxRS=0;this.thisAtomSet=this.thisPlane=null;this.vl2=
this.vl1=this.vl0=this.margin=this.thisX=0;this.ptV=this.pt1=this.pt0=this.ptZ0=this.ptY0=this.voxelSource=this.noFaceSpheres=this.validSpheres=this.bsSurfaceVoxels=null;K(this,arguments)},J.jvxl.readers,"AtomDataReader",J.jvxl.readers.VolumeDataReader);$(c$,function(){this.atomData=new J.atomdata.AtomData;this.bsMySelected=new JU.BS;this.bsMyIgnored=new JU.BS;this.ptY0=new JU.P3;this.ptZ0=new JU.P3;this.pt0=new JU.P3i;this.pt1=new JU.P3i;this.ptV=new JU.P3});N(c$,function(){W(this,J.jvxl.readers.AtomDataReader,
[])});e(c$,"initADR",function(a){this.initVDR(a);this.precalculateVoxelData=!0},"J.jvxl.readers.SurfaceGenerator");j(c$,"setup",function(){this.setup2()},"~B");e(c$,"setup2",function(){this.contactPair=this.params.contactPair;this.doAddHydrogens=null!=this.sg.atomDataServer&&this.params.addHydrogens;this.modelIndex=this.params.modelIndex;null!=this.params.bsIgnore&&(this.bsMyIgnored=this.params.bsIgnore);if(null!=this.params.volumeData){this.setVolumeDataV(this.params.volumeData);this.setBBox(this.volumeData.volumetricOrigin,
0);this.ptV.setT(this.volumeData.volumetricOrigin);for(var a=0;3>a;a++)this.ptV.scaleAdd2(this.volumeData.voxelCounts[a]-1,this.volumeData.volumetricVectors[a],this.ptV);this.setBBox(this.ptV,0)}(this.havePlane=null!=this.params.thePlane)&&this.volumeData.setPlaneParameters(this.params.thePlane)});e(c$,"markPlaneVoxels",function(a,b){for(var c=0,d=this.thisX*this.yzCount,e=d+this.yzCount;d<e;d++,c++)this.volumeData.getPoint(d,this.ptV),this.thisPlane[c]=this.ptV.distance(a)-b},"JU.P3,~N");e(c$,"setVolumeForPlane",
function(){this.useOriginStepsPoints?(this.xyzMin=JU.P3.newP(this.params.origin),this.xyzMax=JU.P3.newP(this.params.origin),this.xyzMax.add3((this.params.points.x-1)*this.params.steps.x,(this.params.points.y-1)*this.params.steps.y,(this.params.points.z-1)*this.params.steps.z)):null==this.params.boundingBox?(this.getAtoms(this.params.bsSelected,!1,!0,!1,!1,!1,!1,this.params.mep_marginAngstroms),null==this.xyzMin&&(this.xyzMin=JU.P3.new3(-10,-10,-10),this.xyzMax=JU.P3.new3(10,10,10))):(this.xyzMin=
JU.P3.newP(this.params.boundingBox[0]),this.xyzMax=JU.P3.newP(this.params.boundingBox[1]));this.setRanges(this.params.plane_ptsPerAngstrom,this.params.plane_gridMax,0)});e(c$,"getAtoms",function(a,b,c,d,e,f,h,j){f&&(c=!0);c&&(null==this.params.atomRadiusData&&(this.params.atomRadiusData=new J.atomdata.RadiusData(null,1,J.atomdata.RadiusData.EnumType.FACTOR,J.c.VDW.AUTO)),this.atomData.radiusData=this.params.atomRadiusData,this.atomData.radiusData.valueExtended=this.params.solventExtendedAtomRadius,
b&&(this.atomData.radiusData.vdwType=J.c.VDW.NOJMOL));this.atomData.modelIndex=this.modelIndex;this.atomData.bsSelected=a;this.atomData.bsIgnored=this.bsMyIgnored;this.sg.fillAtomData(this.atomData,1|(e?16:0)|(d?4:0)|(c?2:0));this.doUseIterator&&(this.atomData.bsSelected=null);this.ac=this.atomData.ac;this.modelIndex=this.atomData.firstModelIndex;e=!1;for(d=0;d<this.ac;d++){if((null==a||a.get(d))&&!this.bsMyIgnored.get(d)){if(this.havePlane&&Math.abs(this.volumeData.distancePointToPlane(this.atomData.atomXyz[d]))>
2*(this.atomData.atomRadius[d]=this.getWorkingRadius(d,j)))continue;this.bsMySelected.set(d);e=!this.havePlane}if(c&&(f||e))this.atomData.atomRadius[d]=this.getWorkingRadius(d,j)}e=c&&b?this.getWorkingRadius(-1,j):0;this.myAtomCount=JU.BSUtil.cardinalityOf(this.bsMySelected);j=JU.BSUtil.copy(this.bsMySelected);h=0;this.atomProp=null;this.theProperty=3.4028235E38;this.haveOneProperty=!1;a=this.params.theProperty;if(0<this.myAtomCount){var m=null;if(b){this.atomData.bsSelected=j;this.sg.atomDataServer.fillAtomData(this.atomData,
8);m=Array(h=this.atomData.hydrogenAtomCount);for(d=0;d<this.atomData.hAtoms.length;d++)if(null!=this.atomData.hAtoms[d])for(b=this.atomData.hAtoms[d].length;0<=--b;)m[--h]=this.atomData.hAtoms[d][b];h=m.length;JU.Logger.info(h+" attached hydrogens added")}b=h+this.myAtomCount;c&&(this.atomRadius=w(b,0));this.atomXyz=Array(b);null!=this.params.theProperty&&(this.atomProp=w(b,0));this.atomNo=t(b,0);this.atomIndex=t(b,0);this.myIndex=t(this.ac,0);for(d=0;d<h;d++)c&&(this.atomRadius[d]=e),this.atomXyz[d]=
m[d],this.atomNo[d]=-1,null!=this.atomProp&&this.addAtomProp(d,NaN);this.myAtomCount=h;for(d=j.nextSetBit(0);0<=d;d=j.nextSetBit(d+1))null!=this.atomProp&&this.addAtomProp(this.myAtomCount,null!=a&&d<a.length?a[d]:NaN),this.atomXyz[this.myAtomCount]=this.atomData.atomXyz[d],this.atomNo[this.myAtomCount]=this.atomData.atomicNumber[d],this.atomIndex[this.myAtomCount]=d,this.myIndex[d]=this.myAtomCount,c&&(this.atomRadius[this.myAtomCount]=this.atomData.atomRadius[d]),this.myAtomCount++}this.firstNearbyAtom=
this.myAtomCount;JU.Logger.info(this.myAtomCount+" atoms will be used in the surface calculation");0==this.myAtomCount&&(this.setBBox(JU.P3.new3(10,10,10),0),this.setBBox(JU.P3.new3(-10,-10,-10),0));for(d=0;d<this.myAtomCount;d++)this.setBBox(this.atomXyz[d],c?this.atomRadius[d]+0.5:0);Float.isNaN(this.params.scale)||(b=JU.V3.newVsub(this.xyzMax,this.xyzMin),b.scale(0.5),this.xyzMin.add(b),b.scale(this.params.scale),this.xyzMax.add2(this.xyzMin,b),this.xyzMin.sub(b));if(f&&0!=this.myAtomCount){f=
new JU.P3;this.bsNearby=new JU.BS;for(d=0;d<this.ac;d++)!j.get(d)&&!this.bsMyIgnored.get(d)&&(b=this.atomData.atomRadius[d],null!=this.params.thePlane&&Math.abs(this.volumeData.distancePointToPlane(this.atomData.atomXyz[d]))>2*b||(null!=this.params.theProperty&&(b+=this.maxDistance),f=this.atomData.atomXyz[d],f.x+b>this.xyzMin.x&&(f.x-b<this.xyzMax.x&&f.y+b>this.xyzMin.y&&f.y-b<this.xyzMax.y&&f.z+b>this.xyzMin.z&&f.z-b<this.xyzMax.z)&&(this.bsNearby.set(d),this.nearbyAtomCount++)));f=this.myAtomCount;
if(0!=this.nearbyAtomCount){f+=this.nearbyAtomCount;this.atomRadius=JU.AU.arrayCopyF(this.atomRadius,f);this.atomXyz=JU.AU.arrayCopyObject(this.atomXyz,f);null!=this.atomIndex&&(this.atomIndex=JU.AU.arrayCopyI(this.atomIndex,f));null!=a&&(this.atomProp=JU.AU.arrayCopyF(this.atomProp,f));for(d=this.bsNearby.nextSetBit(0);0<=d;d=this.bsNearby.nextSetBit(d+1))null!=a&&this.addAtomProp(this.myAtomCount,a[d]),this.myIndex[d]=this.myAtomCount,this.atomIndex[this.myAtomCount]=d,this.atomXyz[this.myAtomCount]=
this.atomData.atomXyz[d],this.atomRadius[this.myAtomCount++]=this.atomData.atomRadius[d]}c&&this.setRadii();this.haveOneProperty=!Float.isNaN(this.theProperty)}},"JU.BS,~B,~B,~B,~B,~B,~B,~N");e(c$,"setRadii",function(){if(null==this.rs){this.maxRS=0;this.rs=w(this.myAtomCount,0);this.rs2=w(this.myAtomCount,0);for(var a=0;a<this.myAtomCount;a++){var b=this.rs[a]=this.atomRadius[a]+this.sr;b>this.maxRS&&(this.maxRS=b);this.rs2[a]=this.rs[a]*this.rs[a]}}});e(c$,"addAtomProp",function(a,b){this.atomProp[a]=
b;!Float.isNaN(this.theProperty)&&b!=this.theProperty&&(this.theProperty=3.4028235E38==this.theProperty?b:NaN)},"~N,~N");e(c$,"getWorkingRadius",function(a,b){var c=0>a?this.atomData.hAtomRadius:this.atomData.atomRadius[a];return Float.isNaN(b)?Math.max(c,0.1):c+b},"~N,~N");e(c$,"setHeader",function(a,b){this.jvxlFileHeaderBuffer=new JU.SB;null!=this.atomData.programInfo&&this.jvxlFileHeaderBuffer.append("#created by ").append(this.atomData.programInfo).append(" on ").append(""+new java.util.Date).append("\n");
this.jvxlFileHeaderBuffer.append(a).append("\n").append(b).append("\n")},"~S,~S");e(c$,"setRanges",function(a,b,c){null!=this.xyzMin&&(this.ptsPerAngstrom=a,this.maxGrid=b,this.minPtsPerAng=c,this.setVolumeData(),J.jvxl.data.JvxlCoder.jvxlCreateHeader(this.volumeData,this.jvxlFileHeaderBuffer))},"~N,~N,~N");j(c$,"setVolumeData",function(){this.setVolumeDataADR()});e(c$,"setVolumeDataADR",function(){this.setVolumeDataParams()||(this.setVoxelRange(0,this.xyzMin.x,this.xyzMax.x,this.ptsPerAngstrom,this.maxGrid,
this.minPtsPerAng),this.setVoxelRange(1,this.xyzMin.y,this.xyzMax.y,this.ptsPerAngstrom,this.maxGrid,this.minPtsPerAng),this.setVoxelRange(2,this.xyzMin.z,this.xyzMax.z,this.ptsPerAngstrom,this.maxGrid,this.minPtsPerAng))});e(c$,"setVertexSource",function(){null!=this.meshDataServer&&this.meshDataServer.fillMeshData(this.meshData,1,null);if(null!=this.params.vertexSource){this.params.vertexSource=JU.AU.arrayCopyI(this.params.vertexSource,this.meshData.vc);for(var a=0;a<this.meshData.vc;a++)this.params.vertexSource[a]=
Math.abs(this.params.vertexSource[a])-1}});e(c$,"resetPlane",function(a){for(var b=0;b<this.yzCount;b++)this.thisPlane[b]=a},"~N");e(c$,"resetVoxelData",function(a){for(var b=0;b<this.nPointsX;++b)for(var c=0;c<this.nPointsY;++c)for(var d=0;d<this.nPointsZ;++d)this.voxelData[b][c][d]=a},"~N");e(c$,"getVoxel",function(a,b,c,d){return this.isProgressive?this.thisPlane[d%this.yzCount]:this.voxelData[a][b][c]},"~N,~N,~N,~N");e(c$,"unsetVoxelData",function(){this.unsetVoxelData2()});e(c$,"unsetVoxelData2",
function(){if(this.isProgressive)for(var a=0;a<this.yzCount;a++)3.4028235E38==this.thisPlane[a]&&(this.thisPlane[a]=NaN);else for(a=0;a<this.nPointsX;++a)for(var b=0;b<this.nPointsY;++b)for(var c=0;c<this.nPointsZ;++c)3.4028235E38==this.voxelData[a][b][c]&&(this.voxelData[a][b][c]=NaN)});e(c$,"setGridLimitsForAtom",function(a,b,c,d){b+=this.margin;this.volumeData.xyzToVoxelPt(a.x,a.y,a.z,c);a=F(Math.floor(b/this.volumeData.volumetricVectorLengths[0]));var e=F(Math.floor(b/this.volumeData.volumetricVectorLengths[1]));
b=F(Math.floor(b/this.volumeData.volumetricVectorLengths[2]));d.set(c.x+a,c.y+e,c.z+b);c.set(c.x-a,c.y-e,c.z-b);c.x=Math.max(c.x-1,0);c.y=Math.max(c.y-1,0);c.z=Math.max(c.z-1,0);d.x=Math.min(d.x+1,this.nPointsX);d.y=Math.min(d.y+1,this.nPointsY);d.z=Math.min(d.z+1,this.nPointsZ)},"JU.P3,~N,JU.P3i,JU.P3i");e(c$,"getAtomMinMax",function(a,b){for(var c=0;c<this.nPointsX;c++)b[c]=new JU.BS;for(var d=this.myAtomCount;0<=--d;)if(null==a||a.get(d)){this.setGridLimitsForAtom(this.atomXyz[d],this.atomRadius[d],
this.pt0,this.pt1);for(c=this.pt0.x;c<this.pt1.x;c++)b[c].set(d)}},"JU.BS,~A");e(c$,"markSphereVoxels",function(a,b){for(var c=3.4028235E38!=b&&null!=this.point,d=this.volumetricVectors[0],e=this.volumetricVectors[1],f=this.volumetricVectors[2],h=this.thisAtomSet.nextSetBit(0);0<=h;h=this.thisAtomSet.nextSetBit(h+1))if(this.havePlane||null==this.validSpheres||this.validSpheres.get(h)){var j=null!=this.noFaceSpheres&&this.noFaceSpheres.get(h),m=h>=this.firstNearbyAtom,n=this.atomXyz[h],p=this.atomRadius[h];
if(!(c&&n.distance(this.point)>b+p+0.5)){var s=p+a;this.setGridLimitsForAtom(n,s,this.pt0,this.pt1);this.isProgressive&&(this.pt0.x=this.thisX,this.pt1.x=this.thisX+1);this.volumeData.voxelPtToXYZ(this.pt0.x,this.pt0.y,this.pt0.z,this.ptV);for(var u=this.pt0.x;u<this.pt1.x;u++,this.ptV.add2(d,this.ptY0)){this.ptY0.setT(this.ptV);for(var q=this.pt0.y;q<this.pt1.y;q++,this.ptV.add2(e,this.ptZ0)){this.ptZ0.setT(this.ptV);for(var z=this.pt0.z;z<this.pt1.z;z++,this.ptV.add(f)){var t=this.ptV.distance(n)-
p,w=this.volumeData.getPointIndex(u,q,z);if((0==a||t<=s)&&t<this.getVoxel(u,q,z,w)){if(m||c&&this.ptV.distance(this.point)>b)t=NaN;this.setVoxel(u,q,z,w,t);Float.isNaN(t)||(null!=this.voxelSource&&(this.voxelSource[w]=h+1),0>t&&j&&this.bsSurfaceVoxels.set(w))}}}}}}},"~N,~N");e(c$,"setVoxel",function(a,b,c,d,e){this.isProgressive?this.thisPlane[d%this.yzCount]=e:this.voxelData[a][b][c]=e},"~N,~N,~N,~N,~N")});I("J.jvxl.readers");L(["JU.P3","J.jvxl.readers.AtomDataReader","JU.P4","$.V3"],"J.jvxl.readers.IsoSolventReader",
"java.lang.Float java.util.Hashtable JU.BS $.Lst $.Measure J.jvxl.data.MeshData JU.BSUtil $.Logger $.MeshSurface $.TempArray".split(" "),function(){c$=G(function(){this.envelopeRadius=this.cavityRadius=0;this.dots=null;this.isPocket=this.isCavity=this.doCalculateTroughs=!1;this.bsAtomMinMax=this.p=this.vTemp2=this.ptTemp2=this.plane=this.vTemp=this.ptS2=this.ptS1=this.vFaces=this.vEdges=this.htEdges=this.bsLocale=this.bsSurfaceDone=this.bsSurfacePoints=this.iter=null;this.isSurfacePoint=!1;this.nTest=
this.iAtomSurface=0;na("J.jvxl.readers.IsoSolventReader.Edge")||J.jvxl.readers.IsoSolventReader.$IsoSolventReader$Edge$();na("J.jvxl.readers.IsoSolventReader.Face")||J.jvxl.readers.IsoSolventReader.$IsoSolventReader$Face$();this.ecosASB2=this.dAB2=this.dAB=this.rBS2=this.rAS2=this.rBS=this.rAS=0;K(this,arguments)},J.jvxl.readers,"IsoSolventReader",J.jvxl.readers.AtomDataReader);$(c$,function(){this.ptS1=new JU.P3;this.ptS2=new JU.P3;this.vTemp=new JU.V3;this.plane=new JU.P4;this.ptTemp2=new JU.P3;
this.vTemp2=new JU.V3;this.p=new JU.P3});N(c$,function(){W(this,J.jvxl.readers.IsoSolventReader,[])});j(c$,"init",function(a){this.initADR(a)},"J.jvxl.readers.SurfaceGenerator");j(c$,"readVolumeParameters",function(a){this.setup(a);this.initializeVolumetricData();this.volumeData.setUnitVectors();this.vl0=this.volumeData.volumetricVectorLengths[0];this.vl1=this.volumeData.volumetricVectorLengths[1];this.vl2=this.volumeData.volumetricVectorLengths[2];this.isProgressive&&(this.volumeData.getYzCount(),
this.bsAtomMinMax=Array(this.nPointsX),this.getAtomMinMax(null,this.bsAtomMinMax),this.voxelSource=t(this.volumeData.nPoints,0));return!0},"~B");j(c$,"setup",function(a){this.setup2();if(null==this.contactPair){this.cavityRadius=this.params.cavityRadius;this.envelopeRadius=this.params.envelopeRadius;this.sr=this.params.solventRadius;this.point=this.params.point;this.isCavity=this.params.isCavity&&null!=this.meshDataServer;this.isPocket=null!=this.params.pocket&&null!=this.meshDataServer;this.doUseIterator=
this.doCalculateTroughs=!a&&null!=this.sg.atomDataServer&&!this.isCavity&&0<this.sr&&(1195==this.dataType||1203==this.dataType);this.getAtoms(this.params.bsSelected,this.doAddHydrogens,!0,!1,!1,!0,!1,NaN);if(this.isCavity||this.isPocket)this.dots=this.meshDataServer.calculateGeodesicSurface(this.bsMySelected,this.envelopeRadius);this.setHeader("solvent/molecular surface",this.params.calculationType);if(this.havePlane||!a)this.setRanges(this.params.solvent_ptsPerAngstrom,this.params.solvent_gridMax,
0),this.volumeData.getYzCount(),this.margin=2*this.volumeData.maxGrid;null!=this.bsNearby&&this.bsMySelected.or(this.bsNearby)}else a||this.setVolumeData();this.doCalculateTroughs||(a?(this.precalculateVoxelData=!1,this.volumeData.sr=this):this.isCavity||(this.isProgressive=this.isXLowToHigh=!0));null==this.thisAtomSet&&(this.thisAtomSet=JU.BSUtil.setAll(this.myAtomCount))},"~B");j(c$,"generateCube",function(){if(!(this.isCavity&&null!=this.params.theProperty)){this.isCavity&&1205!=this.dataType&&
1206!=this.dataType?(this.params.vertexSource=null,this.newVoxelDataCube(),this.resetVoxelData(3.4028235E38),this.markSphereVoxels(this.cavityRadius,this.params.distance),this.generateSolventCavity(),this.resetVoxelData(3.4028235E38),this.markSphereVoxels(0,NaN)):(this.voxelSource=t(this.volumeData.nPoints,0),this.generateSolventCube());this.unsetVoxelData();var a=this.params.slabInfo;if(null!=a)for(var b=0;b<a.size();b++)a.get(b)[2].booleanValue()&&U(a.get(b)[0],JU.P4)&&(this.volumeData.capData(a.get(b)[0],
this.params.cutoff),a.remove(b--))}});j(c$,"getSurfacePointAndFraction",function(a,b,c,d,e,f,h,j,m,n,p,s,u){n=this.marchingCubes.getLinearOffset(h,j,m,n);p=this.marchingCubes.getLinearOffset(h,j,m,p);this.isSurfacePoint=null!=this.bsSurfaceVoxels&&(this.bsSurfaceVoxels.get(n)||this.bsSurfaceVoxels.get(p));if(null!=this.voxelSource){var q=Math.abs(Float.isNaN(d)||c<d?this.voxelSource[n]:this.voxelSource[p]);0<q&&(this.iAtomSurface=this.atomIndex[q-1])}if(J.jvxl.readers.IsoSolventReader.testLinear||
null==this.voxelSource||0==this.voxelSource[n]||this.voxelSource[n]!=this.voxelSource[p])return this.getSPF(a,b,c,d,e,f,h,j,m,n,p,s,u);a=s[0]=JU.MeshSurface.getSphericalInterpolationFraction(0>this.voxelSource[n]?this.sr:this.atomRadius[this.voxelSource[n]-1],c,d,f.length());u.scaleAdd2(a,f,e);return c+a*(d-c)},"~N,~B,~N,~N,JU.T3,JU.V3,~N,~N,~N,~N,~N,~A,JU.T3");j(c$,"addVertexCopy",function(a,b,c,d){a=this.addVC(a,b,c,d);if(0>a)return a;this.isSurfacePoint&&this.bsSurfacePoints.set(a);null!=this.params.vertexSource&&
(this.params.vertexSource[a]=this.iAtomSurface);return a},"JU.T3,~N,~N,~B");j(c$,"selectPocket",function(a){null!=this.meshDataServer&&this.meshDataServer.fillMeshData(this.meshData,1,null);for(var b=this.meshData.vs,c=this.meshData.vc,d=this.meshData.vvs,e=this.dots.length,f=0;f<c;f++)for(var h=0;h<e;h++)this.dots[h].distance(b[f])<this.envelopeRadius&&(d[f]=NaN);this.meshData.getSurfaceSet();b=this.meshData.nSets;c=JU.BS.newN(b);for(f=0;f<b;f++)if(null!=(d=this.meshData.surfaceSet[f]))for(h=d.nextSetBit(0);0<=
h;h=d.nextSetBit(h+1))if(Float.isNaN(this.meshData.vvs[h])){c.set(f);break}for(f=0;f<b;f++)null!=this.meshData.surfaceSet[f]&&c.get(f)==a&&this.meshData.invalidateSurfaceSet(f);this.updateSurfaceData();a||(this.meshData.surfaceSet=null);null!=this.meshDataServer&&(this.meshDataServer.fillMeshData(this.meshData,3,null),this.meshData=new J.jvxl.data.MeshData)},"~B");j(c$,"postProcessVertices",function(){this.setVertexSource();if(this.doCalculateTroughs&&null!=this.bsSurfacePoints){var a=new JU.BS,b=
this.meshData.getSurfaceSet(),c=null,d=this.isPocket?null:J.jvxl.data.MeshData.calculateVolumeOrArea(this.meshData,-2147483648,!1,!1),e=this.isCavity?4.71238898038469*Math.pow(this.sr,3):0,f=0,h=!1;if(null!=d&&!this.isCavity)for(var j=0;j<this.meshData.nSets;j++){var m=d[j];Math.abs(m)>f&&(f=Math.abs(m),h=0>m)}f=h?-1:1;for(j=0;j<this.meshData.nSets;j++)if(h=b[j],h.intersects(this.bsSurfacePoints)&&(null==d||d[j]*f>e)&&null!=this.params.vertexSource){m=new JU.BS;null==c&&(c=Array(b.length));for(var n=
h.nextSetBit(0);0<=n;n=h.nextSetBit(n+1)){var p=this.params.vertexSource[n];if(!(0>p)){if(a.get(p)){this.meshData.invalidateSurfaceSet(j);break}m.set(p)}}a.or(m)}else this.meshData.invalidateSurfaceSet(j);this.updateSurfaceData();null!=this.meshDataServer&&(this.meshDataServer.fillMeshData(this.meshData,3,null),this.meshData=new J.jvxl.data.MeshData)}null!=this.params.thePlane&&null==this.params.slabInfo&&this.params.addSlabInfo(JU.TempArray.getSlabWithinRange(-100,0))});e(c$,"generateSolventCavity",
function(){for(var a=JU.BS.newN(this.nPointsX*this.nPointsY*this.nPointsZ),b=0,c=this.dots.length,d=0,e,f=this.envelopeRadius,h=0;h<this.nPointsX;++h)for(var j=0;j<this.nPointsY;++j){var m=0;a:for(;m<this.nPointsZ;++m,++b)if(3.4028235E38>(e=this.voxelData[h][j][m])&&e>=this.cavityRadius){this.volumeData.voxelPtToXYZ(h,j,m,this.ptV);for(var n=0;n<c;n++)if(this.dots[n].distance(this.ptV)<f)continue a;a.set(b);d++}}JU.Logger.info("cavities include "+d+" voxel points");this.atomRadius=w(d,0);this.atomXyz=
Array(d);for(c=b=h=0;h<this.nPointsX;++h)for(j=0;j<this.nPointsY;++j)for(m=0;m<this.nPointsZ;++m)a.get(b++)&&(this.volumeData.voxelPtToXYZ(h,j,m,this.atomXyz[c]=new JU.P3),this.atomRadius[c++]=this.voxelData[h][j][m]);this.myAtomCount=this.firstNearbyAtom=d;this.thisAtomSet=JU.BSUtil.setAll(this.myAtomCount);this.rs=null;this.setRadii()});e(c$,"generateSolventCube",function(){1205!=this.dataType&&(this.params.vertexSource=t(this.volumeData.nPoints,0),this.bsSurfaceDone=new JU.BS,this.bsSurfaceVoxels=
new JU.BS,this.bsSurfacePoints=new JU.BS,this.doCalculateTroughs?(this.iter=this.sg.atomDataServer.getSelectedAtomIterator(this.bsMySelected,!0,!1,!1),this.vEdges=new JU.Lst,this.bsLocale=Array(this.myAtomCount),this.htEdges=new java.util.Hashtable,this.getEdges(),JU.Logger.info(this.vEdges.size()+" edges"),this.vFaces=new JU.Lst,this.getFaces(),JU.Logger.info(this.vFaces.size()+" faces"),this.htEdges=this.bsLocale=null,this.iter.release(),this.iter=null,this.newVoxelDataCube(),this.resetVoxelData(3.4028235E38),
this.markFaceVoxels(!0),this.markToroidVoxels(),this.validSpheres.or(this.noFaceSpheres),this.vEdges=null,this.markFaceVoxels(!1),this.vFaces=null):(this.newVoxelDataCube(),this.resetVoxelData(3.4028235E38)),this.markSphereVoxels(0,this.doCalculateTroughs?3.4028235E38:this.params.distance),this.validSpheres=this.noFaceSpheres=null)});e(c$,"getEdges",function(){for(var a=0;a<this.myAtomCount;a++)this.bsLocale[a]=new JU.BS;for(a=0;a<this.myAtomCount;a++){var b=this.atomXyz[a],c=this.rs[a];for(this.sg.atomDataServer.setIteratorForAtom(this.iter,
this.atomIndex[a],c+this.maxRS);this.iter.hasNext();){var d=this.iter.next(),d=this.myIndex[d];if(!(a>=this.firstNearbyAtom&&d>=this.firstNearbyAtom)){var e=this.rs[d],f=b.distance(this.atomXyz[d]);f>=c+e||(e=ma(J.jvxl.readers.IsoSolventReader.Edge,this,null,this,a,d,f),this.vEdges.addLast(e),this.bsLocale[a].set(d),this.bsLocale[d].set(a),this.htEdges.put(e.toString(),e))}}}});e(c$,"findEdge",function(a,b){return this.htEdges.get(a<b?a+"_"+b:b+"_"+a)},"~N,~N");e(c$,"getFaces",function(){var a=new JU.BS;
this.validSpheres=new JU.BS;this.noFaceSpheres=JU.BSUtil.setAll(this.myAtomCount);for(var b=this.vEdges.size();0<=--b;){var c=this.vEdges.get(b),d=c.ia,e=c.ib;a.clearAll();a.or(this.bsLocale[d]);a.and(this.bsLocale[e]);for(var f=a.nextSetBit(e+1);0<=f;f=a.nextSetBit(f+1))if(this.getSolventPoints(c,d,e,f)){var h,j=!1;if(null!=(h=this.validateFace(d,e,f,c,this.ptS1)))this.vFaces.addLast(h),j=!0;if(null!=(h=this.validateFace(d,e,f,c,this.ptS2)))this.vFaces.addLast(h),j=!0;j&&(this.noFaceSpheres.clear(d),
this.noFaceSpheres.clear(e),this.noFaceSpheres.clear(f))}}});e(c$,"validateFace",function(a,b,c,d,e){this.sg.atomDataServer.setIteratorForPoint(this.iter,this.modelIndex,e,this.maxRS);for(var f=!0;this.iter.hasNext();){var h=this.iter.next(),j=this.myIndex[h];if(!(j==a||j==b||j==c)&&this.atomData.atomXyz[h].distance(e)<this.atomData.atomRadius[h]+this.sr){f=!1;break}}h=this.findEdge(b,c);j=this.findEdge(a,c);e=f?ma(J.jvxl.readers.IsoSolventReader.Face,this,null,a,b,c,e):null;d.addFace(e);h.addFace(e);
j.addFace(e);if(!f)return null;this.validSpheres.set(a);this.validSpheres.set(b);this.validSpheres.set(c);return e},"~N,~N,~N,J.jvxl.readers.IsoSolventReader.Edge,JU.P3");e(c$,"markFaceVoxels",function(a){for(var b=new JU.BS,c=this.volumetricVectors[0],d=this.volumetricVectors[1],e=this.volumetricVectors[2],f=this.vFaces.size();0<=--f;){var h=this.vFaces.get(f),j=this.atomXyz[h.ia],m=this.atomXyz[h.ib],n=this.atomXyz[h.ic],p=h.pS;this.setGridLimitsForAtom(p,this.sr,this.pt0,this.pt1);this.volumeData.voxelPtToXYZ(this.pt0.x,
this.pt0.y,this.pt0.z,this.ptV);for(var s=this.pt0.x;s<this.pt1.x;s++,this.ptV.add2(c,this.ptY0)){this.ptY0.setT(this.ptV);for(var u=this.pt0.y;u<this.pt1.y;u++,this.ptV.add2(d,this.ptZ0)){this.ptZ0.setT(this.ptV);for(var q=this.pt0.z;q<this.pt1.z;q++,this.ptV.add(e)){var t=this.sr-this.ptV.distance(p),w=this.voxelData[s][u][q],y=this.volumeData.getPointIndex(s,u,q);a&&0<t&&this.bsSurfaceDone.set(y);if(JU.Measure.isInTetrahedron(this.ptV,j,m,n,p,this.plane,this.vTemp,this.vTemp2,!1)&&(!a?!this.bsSurfaceDone.get(y)&&
0>t&&t>1.8*-this.volumeData.maxGrid&&t>w==b.get(y):0<t&&(0>w||3.4028235E38==w||t>w==b.get(y))))b.set(y),this.setVoxel(s,u,q,y,t),null!=this.voxelSource&&(this.voxelSource[y]=-1-h.ia),0<t&&this.bsSurfaceVoxels.set(y)}}}}},"~B");e(c$,"markToroidVoxels",function(){for(var a=this.volumetricVectors[0],b=this.volumetricVectors[1],c=this.volumetricVectors[2],d=this.vEdges.size();0<=--d;){var e=this.vEdges.get(d);if(e.isValid()){var f=e.ia,h=e.ib,j=this.atomXyz[f],m=this.atomXyz[h];this.rAS=this.rs[f];this.rBS=
this.rs[h];this.rAS2=this.rs2[f];this.rBS2=this.rs2[h];this.dAB=e.d;this.dAB2=e.d2;this.ecosASB2=e.cosASB2;this.setGridLimitsForAtom(e,e.maxr,this.pt0,this.pt1);this.volumeData.voxelPtToXYZ(this.pt0.x,this.pt0.y,this.pt0.z,this.ptV);for(e=this.pt0.x;e<this.pt1.x;e++,this.ptV.add2(a,this.ptY0)){this.ptY0.setT(this.ptV);for(h=this.pt0.y;h<this.pt1.y;h++,this.ptV.add2(b,this.ptZ0)){this.ptZ0.setT(this.ptV);for(var n=this.pt0.z;n<this.pt1.z;n++,this.ptV.add(c)){var p=this.checkSpecialVoxel(j,m,this.ptV);
if(!Float.isNaN(p)&&(p=this.sr-p,p<this.voxelData[e][h][n])){var s=this.volumeData.getPointIndex(e,h,n);this.setVoxel(e,h,n,s,p);null!=this.voxelSource&&(this.voxelSource[s]=-1-f)}}}}}}});j(c$,"unsetVoxelData",function(){if(this.havePlane)if(this.isProgressive)for(var a=0;a<this.yzCount;a++)0.001>this.thisPlane[a]||(this.thisPlane[a]=0.001);else for(a=0;a<this.nPointsX;++a)for(var b=0;b<this.nPointsY;++b)for(var c=0;c<this.nPointsZ;++c)0.001>this.voxelData[a][b][c]||(this.voxelData[a][b][c]=0.001);
else this.unsetVoxelData2()});e(c$,"getSolventPoints",function(a,b,c,d){var e=this.rs[b],f=a.v;a=(a.d2+this.rs2[b]-this.rs2[c])/(2*a.d*e);c=Math.acos(a);this.p.scaleAdd2(a*e,f,this.atomXyz[b]);JU.Measure.getPlaneThroughPoint(this.p,f,this.plane);b=Math.sin(c)*e;a=this.atomXyz[d];c=this.rs[d];e=JU.Measure.distanceToPlane(this.plane,a);if(Math.abs(e)>=0.9*c)return!1;this.ptTemp.scaleAdd2(-e,f,a);a=this.p.distance(this.ptTemp);d=(b*b+a*a-(this.rs2[d]-e*e))/(2*b*a);if(0.99<=Math.abs(d))return!1;e=this.vTemp2;
e.sub2(this.ptTemp,this.p);e.normalize();this.ptTemp.scaleAdd2(b*d,e,this.p);e.cross(f,e);e.normalize();e.scale(Math.sqrt(1-d*d)*b);this.ptS1.add2(this.ptTemp,e);this.ptS2.sub2(this.ptTemp,e);return!0},"J.jvxl.readers.IsoSolventReader.Edge,~N,~N,~N");e(c$,"checkSpecialVoxel",function(a,b,c){var d=a.distance(c),e=a.distanceSquared(c),f=this.rAS/d;if(1<f)return this.p.set(a.x+(c.x-a.x)*f,a.y+(c.y-a.y)*f,a.z+(c.z-a.z)*f),b.distanceSquared(this.p)>=this.rBS2?NaN:this.solventDistance(this.rAS,this.rAS2,
this.rBS2,d,e,b.distanceSquared(c));d=b.distance(c);return 1<(f=this.rBS/d)?(this.p.set(b.x+(c.x-b.x)*f,b.y+(c.y-b.y)*f,b.z+(c.z-b.z)*f),a.distanceSquared(this.p)>=this.rAS2?NaN:this.solventDistance(this.rBS,this.rBS2,this.rAS2,d,d*d,e)):NaN},"JU.P3,JU.P3,JU.P3");e(c$,"solventDistance",function(a,b,c,d,e,f){f=Math.acos((e+this.dAB2-f)/(2*d*this.dAB));c=Math.acos((b+this.dAB2-c)/(2*a*this.dAB));e=b+e-2*a*d*Math.cos(c-f);c=Math.sqrt(e);return this.ecosASB2<(b+e-d*d)/(c*a)?c:NaN},"~N,~N,~N,~N,~N,~N");
e(c$,"dumpLine",function(a,b,c,d){this.sg.log('draw ID "x'+c+this.nTest++ +'" '+JU.P3.newP(a)+" "+JU.P3.newP(b)+" color "+d)},"JU.P3,JU.T3,~S,~S");e(c$,"dumpLine2",function(a,b,c,d,e,f){var h=new JU.V3;h.setT(b);h.sub(a);h.normalize();h.scale(d);h.add(a);this.sg.log('draw ID "'+c+this.nTest++ +'" '+JU.P3.newP(a)+" "+JU.P3.newP(h)+" color "+e);this.sg.log('draw ID "'+c+this.nTest++ +'"'+JU.P3.newP(h)+" "+JU.P3.newP(b)+" color "+f+'"'+c+'"')},"JU.P3,JU.P3,~S,~N,~S,~S");e(c$,"dumpPoint",function(a,b,
c){this.sg.log('draw ID "'+b+this.nTest++ +'"'+JU.P3.newP(a)+" color "+c)},"JU.P3,~S,~S");j(c$,"getValueAtPoint",function(a){if(null!=this.contactPair)return a.distance(this.contactPair.myAtoms[1])-this.contactPair.radii[1];for(var b=3.4028235E38,c=0;c<this.firstNearbyAtom;c++){var d=a.distance(this.atomXyz[c])-this.rs[c];d<b&&(b=d)}return 3.4028235E38==b?NaN:b},"JU.T3,~B");j(c$,"discardTempData",function(a){this.rs2=this.rs=null;this.discardTempDataSR(a)},"~B");j(c$,"getPlane",function(a){0==this.yzCount&&
this.initPlanes();this.thisX=a;this.thisPlane=this.yzPlanes[a%2];null==this.contactPair?(this.resetPlane(3.4028235E38),this.thisAtomSet=this.bsAtomMinMax[a],this.markSphereVoxels(0,this.params.distance),this.unsetVoxelData()):this.markPlaneVoxels(this.contactPair.myAtoms[0],this.contactPair.radii[0]);return this.thisPlane},"~N");c$.$IsoSolventReader$Edge$=function(){ga(self.c$);c$=G(function(){oa(this,arguments);this.cosASB2=this.maxr=this.d2=this.d=this.nInvalid=this.nFaces=this.ib=this.ia=0;this.v=
null;K(this,arguments)},J.jvxl.readers.IsoSolventReader,"Edge",JU.P3);Za(c$,function(a,b,c,d){this.ia=Math.min(b,c);this.ib=Math.max(b,c);this.d=d;this.d2=d*d;this.maxr=Math.sqrt(this.d2/4+Math.max(a.rs2[b],a.rs2[c]));this.ave(a.atomXyz[b],a.atomXyz[c]);this.cosASB2=(a.rs2[b]+a.rs2[c]-this.d2)/(a.rs[c]*a.rs[b]);this.v=JU.V3.newVsub(a.atomXyz[c],a.atomXyz[b]);this.v.normalize()},"J.jvxl.readers.IsoSolventReader,~N,~N,~N");e(c$,"addFace",function(a){this.nFaces++;null==a&&this.nInvalid++},"J.jvxl.readers.IsoSolventReader.Face");
e(c$,"isValid",function(){return 0==this.nFaces||this.nInvalid!=this.nFaces});j(c$,"toString",function(){return this.ia+"_"+this.ib});c$=fa()};c$.$IsoSolventReader$Face$=function(){ga(self.c$);c$=G(function(){oa(this,arguments);this.ic=this.ib=this.ia=0;this.pS=null;K(this,arguments)},J.jvxl.readers.IsoSolventReader,"Face");N(c$,function(a,b,c,d){this.ia=a;this.ib=b;this.ic=c;this.pS=JU.P3.newP(d)},"~N,~N,~N,JU.P3");e(c$,"dump",function(){var a=this.b$["J.jvxl.readers.IsoSolventReader"].atomXyz[this.ia],
b=this.b$["J.jvxl.readers.IsoSolventReader"].atomXyz[this.ib],c=this.b$["J.jvxl.readers.IsoSolventReader"].atomXyz[this.ic];this.b$["J.jvxl.readers.IsoSolventReader"].sg.log('draw ID "x'+("f"+this.ia+"_"+this.ib+"_"+this.ic+"_")+this.b$["J.jvxl.readers.IsoSolventReader"].nTest++ +'" '+JU.P3.newP(a)+" "+JU.P3.newP(b)+" "+JU.P3.newP(c)+" color red")});j(c$,"toString",function(){return this.ia+"_"+this.ib+"_"+this.ic+"_"+this.pS});c$=fa()};X(c$,"testLinear",!1)});I("J.jvxl.readers");L(["J.jvxl.readers.SurfaceReader"],
"J.jvxl.readers.SurfaceFileReader",["JU.PT","J.api.Interface"],function(){c$=G(function(){this.next=this.line=this.out=this.binarydoc=this.br=null;K(this,arguments)},J.jvxl.readers,"SurfaceFileReader",J.jvxl.readers.SurfaceReader);$(c$,function(){this.next=t(1,0)});N(c$,function(){W(this,J.jvxl.readers.SurfaceFileReader,[])});e(c$,"setStream",function(a,b){this.binarydoc.setStream(this.sg.atomDataServer.getJzt(),null==a?null:this.sg.atomDataServer.getBufferedInputStream(a),b)},"~S,~B");j(c$,"init",
function(a){this.initSR(a)},"J.jvxl.readers.SurfaceGenerator");e(c$,"init2",function(a,b){this.init2SFR(a,b)},"J.jvxl.readers.SurfaceGenerator,java.io.BufferedReader");e(c$,"init2SFR",function(a,b){this.init(a);this.br=b},"J.jvxl.readers.SurfaceGenerator,java.io.BufferedReader");e(c$,"newBinaryDocument",function(){return J.api.Interface.getInterface("JU.BinaryDocument",this.sg.atomDataServer,"file")});j(c$,"setOutputChannel",function(a){null==this.binarydoc?this.out=a:this.sg.setOutputChannel(this.binarydoc,
a)},"JU.OC");j(c$,"closeReader",function(){this.closeReaderSFR()});e(c$,"closeReaderSFR",function(){if(null!=this.br)try{this.br.close()}catch(a){if(!T(a,java.io.IOException))throw a;}null!=this.out&&this.out.closeChannel();null!=this.binarydoc&&this.binarydoc.close()});j(c$,"discardTempData",function(a){this.closeReader();this.discardTempDataSR(a)},"~B");e(c$,"getTokens",function(){return JU.PT.getTokensAt(this.line,0)});e(c$,"parseFloat",function(){return JU.PT.parseFloatNext(this.line,this.next)});
e(c$,"parseFloatStr",function(a){this.next[0]=0;return JU.PT.parseFloatNext(a,this.next)},"~S");e(c$,"parseFloatRange",function(a,b,c){this.next[0]=b;return JU.PT.parseFloatRange(a,c,this.next)},"~S,~N,~N");e(c$,"parseInt",function(){return JU.PT.parseIntNext(this.line,this.next)});e(c$,"parseIntStr",function(a){this.next[0]=0;return JU.PT.parseIntNext(a,this.next)},"~S");e(c$,"parseIntNext",function(a){return JU.PT.parseIntNext(a,this.next)},"~S");e(c$,"parseFloatArrayStr",function(a){this.next[0]=
0;return JU.PT.parseFloatArrayNext(a,this.next,null,null,null)},"~S");e(c$,"parseFloatArray",function(a,b,c){return JU.PT.parseFloatArrayNext(this.line,this.next,a,b,c)},"~A,~S,~S");e(c$,"getQuotedStringNext",function(){return JU.PT.getQuotedStringNext(this.line,this.next)});e(c$,"skipTo",function(a,b){if(null!=a)for(;0>this.rd().indexOf(a););null!=b&&(this.next[0]=this.line.indexOf(b)+b.length+2)},"~S,~S");e(c$,"rd",function(){this.line=this.br.readLine();if(null!=this.line&&(this.nBytes+=this.line.length,
null!=this.out)){var a=this.line.getBytes();this.out.write(a,0,a.length);this.out.writeByteAsInt(10)}return this.line})});I("J.jvxl.readers");L(["J.jvxl.readers.SurfaceFileReader"],"J.jvxl.readers.VolumeFileReader","java.lang.Float JU.AU $.PT $.SB J.api.Interface J.atomdata.AtomData JU.Logger".split(" "),function(){c$=G(function(){this.negativeAtomCount=this.endOfData=!1;this.nSurfaces=this.ac=0;this.canDownsample=this.isAngstroms=!1;this.downsampleRemainders=null;this.preProcessPlanes=!1;this.nData=
0;this.readerClosed=!1;this.nSkipZ=this.nSkipY=this.nSkipX=this.downsampleFactor=0;this.yzPlanesRaw=null;this.iPlaneRaw=0;this.boundingBox=null;this.isScaledAlready=!1;K(this,arguments)},J.jvxl.readers,"VolumeFileReader",J.jvxl.readers.SurfaceFileReader);N(c$,function(){W(this,J.jvxl.readers.VolumeFileReader,[])});j(c$,"init2",function(a,b){this.init2VFR(a,b)},"J.jvxl.readers.SurfaceGenerator,java.io.BufferedReader");e(c$,"init2VFR",function(a,b){this.init2SFR(a,b);this.canDownsample=this.isProgressive=
this.isXLowToHigh=!0;this.jvxlData.wasCubic=!0;this.boundingBox=this.params.boundingBox;4==this.params.qmOrbitalType&&(this.hasColorData=null==this.params.parameters||0<=this.params.parameters[1],this.preProcessPlanes=!0,this.params.insideOut=!this.params.insideOut)},"J.jvxl.readers.SurfaceGenerator,java.io.BufferedReader");e(c$,"recordData",function(a){if(Float.isNaN(a))return a;a<this.dataMin&&(this.dataMin=a);a>this.dataMax&&(this.dataMax=a);this.dataMean+=a;this.nData++;return a},"~N");j(c$,"closeReader",
function(){this.readerClosed||(this.readerClosed=!0,this.closeReaderSFR(),0==this.nData||-3.4028235E38==this.dataMax||(this.dataMean/=this.nData,JU.Logger.info("VolumeFileReader closing file: "+this.nData+" points read \ndata min/max/mean = "+this.dataMin+"/"+this.dataMax+"/"+this.dataMean)))});j(c$,"readVolumeParameters",function(){this.endOfData=!1;this.nSurfaces=this.readVolumetricHeader();if(0==this.nSurfaces)return!1;this.nSurfaces<this.params.fileIndex&&(JU.Logger.warn("not enough surfaces in file -- resetting params.fileIndex to "+
this.nSurfaces),this.params.fileIndex=this.nSurfaces);return!0},"~B");j(c$,"readVolumeData",function(a){return this.readVolumeDataVFR(a)},"~B");e(c$,"readVolumeDataVFR",function(a){if(!this.gotoAndReadVoxelData(a))return!1;this.vertexDataOnly||JU.Logger.info("JVXL read: "+this.nPointsX+" x "+this.nPointsY+" x "+this.nPointsZ+" data points");return!0},"~B");e(c$,"readVolumetricHeader",function(){try{this.readParameters();if(-2147483648==this.ac)return 0;this.vertexDataOnly||JU.Logger.info("voxel grid origin:"+
this.volumetricOrigin);var a=this.params.downsampleFactor,b=this.canDownsample&&1<a;1<a&&!this.canDownsample&&(this.jvxlData.msg+="\ncannot downsample this file type");if(b){this.downsampleRemainders=t(3,0);JU.Logger.info("downsample factor = "+a);for(var c=0;3>c;++c){var d=this.voxelCounts[c];this.downsampleRemainders[c]=d%a;this.voxelCounts[c]/=a;this.isPeriodic&&(this.voxelCounts[c]++,this.downsampleRemainders[c]--);this.volumetricVectors[c].scale(a);JU.Logger.info("downsampling axis "+(c+1)+" from "+
d+" to "+this.voxelCounts[c])}}if(!this.vertexDataOnly)for(c=0;3>c;++c)this.isAngstroms||this.volumetricVectors[c].scale(0.5291772),this.line=this.voxelCounts[c]+" "+this.volumetricVectors[c].x+" "+this.volumetricVectors[c].y+" "+this.volumetricVectors[c].z,this.jvxlFileHeaderBuffer.append(this.line).appendC("\n"),JU.Logger.info("voxel grid count/vector:"+this.line);this.scaleIsosurface(this.params.scale);this.volumeData.setVolumetricXml();return this.nSurfaces}catch(e){if(T(e,Exception))return JU.Logger.error(e.toString()),
0;throw e;}});e(c$,"skipComments",function(a){for(var b=new JU.SB;null!=this.rd()&&(a&&0==this.line.length||0==this.line.indexOf("#"));)b.append(this.line).appendC("\n");return b.toString()},"~B");e(c$,"readVoxelVector",function(a){this.rd();var b=this.volumetricVectors[a];if(-2147483648==(this.voxelCounts[a]=this.parseIntStr(this.line)))this.next[0]=this.line.indexOf(" ");b.set(this.parseFloat(),this.parseFloat(),this.parseFloat());this.isAnisotropic&&this.setVectorAnisotropy(b)},"~N");e(c$,"initializeSurfaceData",
function(){this.downsampleFactor=this.params.downsampleFactor;this.nSkipZ=this.nSkipY=this.nSkipX=0;this.canDownsample&&0<this.downsampleFactor&&(this.nSkipX=this.downsampleFactor-1,this.nSkipY=this.downsampleRemainders[2]+(this.downsampleFactor-1)*(this.nSkipZ=(this.nPointsZ-(this.isPeriodic?1:0))*this.downsampleFactor+this.downsampleRemainders[2]),this.nSkipZ=this.downsampleRemainders[1]*this.nSkipZ+(this.downsampleFactor-1)*this.nSkipZ*((this.nPointsY-(this.isPeriodic?1:0))*this.downsampleFactor+
this.downsampleRemainders[1]));null!=this.params.thePlane?this.params.cutoff=0:this.isJvxl&&(this.params.cutoff=this.params.isBicolorMap||this.params.colorBySign?0.01:0.5);this.nDataPoints=0;this.next[0]=0;this.line="";this.jvxlNSurfaceInts=0});j(c$,"readSurfaceData",function(a){this.readSurfaceDataVFR(a)},"~B");e(c$,"readSurfaceDataVFR",function(a){this.initializeSurfaceData();if(this.isProgressive&&!a||this.isJvxl)this.nDataPoints=this.volumeData.setVoxelCounts(this.nPointsX,this.nPointsY,this.nPointsZ),
this.voxelData=null,this.isJvxl&&(this.jvxlVoxelBitSet=this.getVoxelBitSet(this.nDataPoints));else if(a&&this.volumeData.hasPlane()){this.volumeData.setVoxelMap();var b=this.volumeData.getToPlaneParameter();for(a=0;a<this.nPointsX;++a){for(var c=0;c<this.nPointsY;++c){for(var d=0;d<this.nPointsZ;++d){var e=this.recordData(this.getNextVoxelValue());this.volumeData.isNearPlane(a,c,d,b)&&this.volumeData.setVoxelMapValue(a,c,d,e);0!=this.nSkipX&&this.skipVoxels(this.nSkipX)}0!=this.nSkipY&&this.skipVoxels(this.nSkipY)}0!=
this.nSkipZ&&this.skipVoxels(this.nSkipZ)}}else{this.voxelData=JU.AU.newFloat3(this.nPointsX,-1);for(a=0;a<this.nPointsX;++a){b=JU.AU.newFloat2(this.nPointsY);this.voxelData[a]=b;for(c=0;c<this.nPointsY;++c){e=w(this.nPointsZ,0);b[c]=e;for(d=0;d<this.nPointsZ;++d)e[d]=this.recordData(this.getNextVoxelValue()),0!=this.nSkipX&&this.skipVoxels(this.nSkipX);0!=this.nSkipY&&this.skipVoxels(this.nSkipY)}0!=this.nSkipZ&&this.skipVoxels(this.nSkipZ)}}this.volumeData.setVoxelDataAsArray(this.voxelData)},"~B");
e(c$,"getPlane",function(a){0==a&&this.initPlanes();if(this.preProcessPlanes)return this.getPlaneProcessed(a);a=this.getPlane2(a);null==this.qpc&&this.getPlane(a,!0);return a},"~N");e(c$,"getPlaneProcessed",function(a){var b;if(0==this.iPlaneRaw){this.qpc=J.api.Interface.getOption("quantum.NciCalculation",this.sg.atomDataServer,null);b=new J.atomdata.AtomData;b.modelIndex=-1;b.bsSelected=this.params.bsSelected;this.sg.fillAtomData(b,1);this.qpc.setupCalculation(this.volumeData,this.sg.params.bsSelected,
null,null,null,b.atomXyz,-1,null,null,null,null,null,null,this.params.isSquaredLinear,null,this.params.theProperty,!0,null,this.params.parameters,this.params.testFlags);this.iPlaneRaw=1;this.qpc.setPlanes(this.yzPlanesRaw=w(4,this.yzCount,0));if(this.hasColorData){this.getPlane(this.yzPlanesRaw[0],!1);this.getPlane(this.yzPlanesRaw[1],!1);b=this.yzPlanes[0];for(a=0;a<this.yzCount;a++)b[a]=NaN;return b}this.iPlaneRaw=-1}var c=this.qpc.getNoValue(),d=this.nPointsX-1;switch(this.iPlaneRaw){case -1:b=
this.yzPlanes[a%2];d++;break;case 3:b=this.yzPlanesRaw[0];this.yzPlanesRaw[0]=this.yzPlanesRaw[1];this.yzPlanesRaw[1]=this.yzPlanesRaw[2];this.yzPlanesRaw[2]=this.yzPlanesRaw[3];this.yzPlanesRaw[3]=b;b=this.yzPlanesRaw[this.iPlaneRaw];break;default:this.iPlaneRaw++,b=this.yzPlanesRaw[this.iPlaneRaw]}if(a<d){this.getPlane(b,!1);this.qpc.calcPlane(a,b=this.yzPlanes[a%2]);for(a=0;a<this.yzCount;a++)b[a]!=c&&this.recordData(b[a])}else for(a=0;a<this.yzCount;a++)b[a]=NaN;return b},"~N");e(c$,"getPlane",
function(a,b){try{for(var c=0,d=0;c<this.nPointsY;++c){for(var e=0;e<this.nPointsZ;++e){var f=this.getNextVoxelValue();b&&this.recordData(f);a[d++]=f;0!=this.nSkipX&&this.skipVoxels(this.nSkipX)}0!=this.nSkipY&&this.skipVoxels(this.nSkipY)}0!=this.nSkipZ&&this.skipVoxels(this.nSkipZ)}catch(h){if(!T(h,Exception))throw h;}},"~A,~B");j(c$,"getValue",function(a,b,c,d){return null!=this.boundingBox&&(this.volumeData.voxelPtToXYZ(a,b,c,this.ptTemp),this.ptTemp.x<this.boundingBox[0].x||this.ptTemp.x>this.boundingBox[1].x||
this.ptTemp.y<this.boundingBox[0].y||this.ptTemp.y>this.boundingBox[1].y||this.ptTemp.z<this.boundingBox[0].z||this.ptTemp.z>this.boundingBox[1].z)?NaN:this.getValue2(a,b,c,d)},"~N,~N,~N,~N");e(c$,"skipVoxels",function(a){for(;0<=--a;)this.getNextVoxelValue()},"~N");e(c$,"getVoxelBitSet",function(){return null},"~N");e(c$,"getNextVoxelValue",function(){var a=0;if(1<this.nSurfaces&&!this.params.blockCubeData){for(var b=1;b<this.params.fileIndex;b++)this.nextVoxel();a=this.nextVoxel();for(b=this.params.fileIndex;b<
this.nSurfaces;b++)this.nextVoxel()}else a=this.nextVoxel();return a});e(c$,"nextVoxel",function(){var a=this.parseFloat();if(Float.isNaN(a)){for(;null!=this.rd()&&Float.isNaN(a=this.parseFloatStr(this.line)););null==this.line&&(this.endOfData||JU.Logger.warn("end of file reading cube voxel data? nBytes="+this.nBytes+" nDataPoints="+this.nDataPoints+" (line):"+this.line),this.endOfData=!0,this.line="0 0 0 0 0 0 0 0 0 0")}return a});j(c$,"gotoData",function(a,b){if(this.params.blockCubeData){0<a&&
JU.Logger.info("skipping "+a+" data sets, "+b+" points each");for(var c=0;c<a;c++)this.skipData(b)}},"~N,~N");e(c$,"skipData",function(a){this.skipDataVFR(a)},"~N");e(c$,"skipDataVFR",function(a){for(var b=0;b<a;)b+=this.countData(this.rd())},"~N");e(c$,"countData",function(a){for(var b=0,c=0,d=a.length,e;c<d;){for(;c<d&&(" "==(e=a.charAt(c))||"\t"==e);)++c;for(c<d&&++b;c<d&&" "!=(e=a.charAt(c))&&"\t"!=e;)++c}return b},"~S");c$.checkAtomLine=e(c$,"checkAtomLine",function(a,b,c,d,e){0<=d.indexOf("ANGSTROMS")&&
(b=!0);c=null==c?2147483647:JU.PT.parseInt(c);switch(c){case -2147483648:c=0;d=" "+d.substring(d.indexOf(" ")+1);break;case 2147483647:c=-2147483648;break;default:var f=""+c;d=d.substring(d.indexOf(f)+f.length)}b?0>d.indexOf("ANGSTROM")&&(d+=" ANGSTROMS"):0>d.indexOf("BOHR")&&(d+=" BOHR");d=(-2147483648==c?"":(a?"+":"-")+Math.abs(c))+d+"\n";e.append(d);return b},"~B,~B,~S,~S,JU.SB");j(c$,"getSurfacePointAndFraction",function(a,b,c,d,e,f,h,j,m,n,p,s,u){return this.getSPFv(a,b,c,d,e,f,h,j,m,n,p,s,u)},
"~N,~B,~N,~N,JU.T3,JU.V3,~N,~N,~N,~N,~N,~A,JU.T3");e(c$,"getSPFv",function(a,b,c,d,e,f,h,j,m,n,p,s,u){a=this.getSPF(a,b,c,d,e,f,h,j,m,n,p,s,u);if(null==this.qpc||Float.isNaN(a)||!this.hasColorData)return a;n=this.marchingCubes.getLinearOffset(h,j,m,n);p=this.marchingCubes.getLinearOffset(h,j,m,p);return this.qpc.process(n,p,s[0])},"~N,~B,~N,~N,JU.T3,JU.V3,~N,~N,~N,~N,~N,~A,JU.T3");e(c$,"scaleIsosurface",function(a){this.isScaledAlready||(this.isScaledAlready=!0,this.isAnisotropic&&this.setVolumetricAnisotropy(),
Float.isNaN(a)||(JU.Logger.info("applying scaling factor of "+a),this.volumetricOrigin.scaleAdd2((1-a)/2,this.volumetricVectors[0],this.volumetricOrigin),this.volumetricOrigin.scaleAdd2((1-a)/2,this.volumetricVectors[1],this.volumetricOrigin),this.volumetricOrigin.scaleAdd2((1-a)/2,this.volumetricVectors[2],this.volumetricOrigin),this.volumetricVectors[0].scale(a),this.volumetricVectors[1].scale(a),this.volumetricVectors[2].scale(a)))},"~N");e(c$,"swapXZ",function(){var a=this.volumetricVectors[0];
this.volumetricVectors[0]=this.volumetricVectors[2];this.volumetricVectors[2]=a;a=this.voxelCounts[0];this.voxelCounts[0]=this.voxelCounts[2];this.voxelCounts[2]=a;this.params.insideOut=!this.params.insideOut})});I("J.jvxl.readers");L(["J.jvxl.readers.VolumeFileReader"],"J.jvxl.readers.JvxlXmlReader","java.lang.Float $.NullPointerException java.util.Hashtable JU.AU $.BS $.CU $.Lst $.P3 $.P4 $.PT $.SB J.jvxl.data.JvxlCoder $.MeshData J.jvxl.readers.XmlReader J.shapesurface.IsosurfaceMesh JU.C $.ColorEncoder $.Escape $.Logger".split(" "),
function(){c$=G(function(){this.JVXL_VERSION="2.3";this.invalidatedVertexCount=this.excludedVertexCount=this.excludedTriangleCount=this.colorDataCount=this.edgeDataCount=this.surfaceDataCount=0;this.haveContourData=!1;this.xr=null;this.isXmlFile=!0;this.thisInside=!1;this.bsVoxelBitSet=this.tempDataXml=null;this.includeValueNaN=!0;this.valueCount=0;this.valueRange=this.valueMin=NaN;this.colorPtr=this.fractionPtr=0;this.strFractionTemp="";this.haveReadColorData=!1;this.jvxlColorEncodingRead=null;K(this,
arguments)},J.jvxl.readers,"JvxlXmlReader",J.jvxl.readers.VolumeFileReader);N(c$,function(){W(this,J.jvxl.readers.JvxlXmlReader,[])});j(c$,"init2",function(a,b){this.init2JXR(a,b)},"J.jvxl.readers.SurfaceGenerator,java.io.BufferedReader");e(c$,"init2JXR",function(a,b){this.init2VFR(a,b);this.jvxlData.wasJvxl=this.isJvxl=!0;this.isXLowToHigh=this.canDownsample=!1;this.xr=new J.jvxl.readers.XmlReader(b)},"J.jvxl.readers.SurfaceGenerator,java.io.BufferedReader");j(c$,"readVolumeData",function(a){if(!this.readVolumeDataVFR(a))return!1;
this.strFractionTemp=this.jvxlEdgeDataRead;this.fractionPtr=0;return!0},"~B");j(c$,"gotoAndReadVoxelData",function(a){this.initializeVolumetricData();if(0>this.nPointsX||0>this.nPointsY||0>this.nPointsZ)return!0;try{this.gotoData(this.params.fileIndex-1,this.nPointsX*this.nPointsY*this.nPointsZ);if(this.vertexDataOnly)return!0;this.volumeData.setMappingPlane(this.params.thePlane);this.readSurfaceData(a);this.volumeData.setMappingPlane(null);0<this.edgeDataCount&&(this.jvxlEdgeDataRead=this.jvxlReadFractionData("edge",
this.edgeDataCount));this.params.bsExcluded=this.jvxlData.jvxlExcluded=Array(4);if(this.hasColorData=0<this.colorDataCount)this.jvxlColorDataRead=this.jvxlReadFractionData("color",this.colorDataCount);0<this.excludedVertexCount&&(this.jvxlData.jvxlExcluded[0]=J.jvxl.data.JvxlCoder.jvxlDecodeBitSet(this.xr.getXmlData("jvxlExcludedVertexData",null,!1,!1)),this.xr.isNext("jvxlExcludedPlaneData")&&(this.jvxlData.jvxlExcluded[2]=J.jvxl.data.JvxlCoder.jvxlDecodeBitSet(this.xr.getXmlData("jvxlExcludedPlaneData",
null,!1,!1))));0<this.excludedTriangleCount&&(this.jvxlData.jvxlExcluded[3]=J.jvxl.data.JvxlCoder.jvxlDecodeBitSet(this.xr.getXmlData("jvxlExcludedTriangleData",null,!1,!1)));0<this.invalidatedVertexCount&&(this.jvxlData.jvxlExcluded[1]=J.jvxl.data.JvxlCoder.jvxlDecodeBitSet(this.xr.getXmlData("jvxlInvalidatedVertexData",null,!1,!1)));this.haveContourData&&this.jvxlDecodeContourData(this.jvxlData,this.xr.getXmlData("jvxlContourData",null,!1,!1));if(this.jvxlDataIsColorMapped&&0<this.jvxlData.nVertexColors){this.jvxlData.vertexColorMap=
new java.util.Hashtable;var b=this.xr.getXmlData("jvxlVertexColorData",null,!0,!1),c=J.jvxl.readers.XmlReader.getXmlAttrib(b,"baseColor");this.jvxlData.baseColor=0<c.length?c:null;for(a=0;a<this.jvxlData.nVertexColors;a++){var d=this.xr.getXmlData("jvxlColorMap",b,!0,!1),e=J.jvxl.readers.XmlReader.getXmlAttrib(d,"color"),f=J.jvxl.data.JvxlCoder.jvxlDecodeBitSet(this.xr.getXmlData("jvxlColorMap",d,!1,!1));this.jvxlData.vertexColorMap.put(e,f)}}}catch(h){if(T(h,Exception))return JU.Logger.error(h.toString()),
!1;throw h;}return!0},"~B");j(c$,"readParameters",function(){var a=this.xr.getXmlData("jvxlFileTitle",null,!1,!1);this.jvxlFileHeaderBuffer=JU.SB.newS(a);this.xr.toTag("jvxlVolumeData");a=this.tempDataXml=this.xr.getXmlData("jvxlVolumeData",null,!0,!1);this.volumetricOrigin.setT(this.xr.getXmlPoint(a,"origin"));this.isAngstroms=!0;this.readVector(0);this.readVector(1);this.readVector(2);this.line=this.xr.toTag("jvxlSurfaceSet");this.nSurfaces=this.parseIntStr(J.jvxl.readers.XmlReader.getXmlAttrib(this.line,
"count"));JU.Logger.info("jvxl file surfaces: "+this.nSurfaces);JU.Logger.info("using default edge fraction base and range");JU.Logger.info("using default color fraction base and range");this.cJvxlEdgeNaN=String.fromCharCode(this.edgeFractionBase+this.edgeFractionRange)});e(c$,"readVector",function(a){var b=this.xr.getXmlData("jvxlVolumeVector",this.tempDataXml,!0,!0);this.tempDataXml=this.tempDataXml.substring(this.tempDataXml.indexOf(b)+b.length);var c=this.parseIntStr(J.jvxl.readers.XmlReader.getXmlAttrib(b,
"count"));-2147483648==c&&(this.vertexDataOnly=!0);this.voxelCounts[a]=0>c?0:c;this.volumetricVectors[a].setT(this.xr.getXmlPoint(b,"vector"));this.isAnisotropic&&this.setVectorAnisotropy(this.volumetricVectors[a])},"~N");j(c$,"gotoData",function(a,b){0<a&&JU.Logger.info("skipping "+a+" data sets, "+b+" points each");this.vertexDataOnly=this.jvxlData.vertexDataOnly=0==b;for(var c=0;c<a;c++)this.jvxlSkipData(b,!0);this.xr.toTag("jvxlSurface");this.jvxlReadSurfaceInfo()},"~N,~N");e(c$,"jvxlSkipData",
function(){this.rd();this.xr.skipTag("jvxlSurface")},"~N,~B");e(c$,"jvxlReadSurfaceInfo",function(){var a,b=this.xr.getXmlData("jvxlSurfaceInfo",null,!0,!0);this.isXLowToHigh=J.jvxl.readers.XmlReader.getXmlAttrib(b,"isXLowToHigh").equals("true");this.jvxlCutoff=this.parseFloatStr(J.jvxl.readers.XmlReader.getXmlAttrib(b,"cutoff"));Float.isNaN(this.jvxlCutoff)||JU.Logger.info("JVXL read: cutoff "+this.jvxlCutoff);var c=this.parseIntStr(J.jvxl.readers.XmlReader.getXmlAttrib(b,"nContourData"));this.haveContourData=
0<c;this.params.isContoured=J.jvxl.readers.XmlReader.getXmlAttrib(b,"contoured").equals("true");if(this.params.isContoured){var d=this.parseIntStr(J.jvxl.readers.XmlReader.getXmlAttrib(b,"nContours"));0>=d?d=0:(0>this.params.thisContour&&(this.params.thisContour=this.parseIntStr(J.jvxl.readers.XmlReader.getXmlAttrib(b,"thisContour"))),a=J.jvxl.readers.XmlReader.getXmlAttrib(b,"contourValues"),0<a.length&&(a=a.$replace("["," ").$replace("]"," "),this.jvxlData.contourValues=this.params.contoursDiscrete=
this.parseFloatArrayStr(a),JU.Logger.info("JVXL read: contourValues "+JU.Escape.eAF(this.jvxlData.contourValues))),a=J.jvxl.readers.XmlReader.getXmlAttrib(b,"contourColors"),0<a.length&&(this.jvxlData.contourColixes=this.params.contourColixes=JU.C.getColixArray(a),this.jvxlData.contourColors=JU.C.getHexCodes(this.jvxlData.contourColixes),JU.Logger.info("JVXL read: contourColixes "+JU.C.getHexCodes(this.jvxlData.contourColixes))),this.params.contourFromZero=J.jvxl.readers.XmlReader.getXmlAttrib(b,
"contourFromZero").equals("true"));this.params.nContours=this.haveContourData?c:d}this.jvxlData.nVertexColors=this.parseIntStr(J.jvxl.readers.XmlReader.getXmlAttrib(b,"nVertexColors"));this.params.isBicolorMap=J.jvxl.readers.XmlReader.getXmlAttrib(b,"bicolorMap").equals("true");this.params.isBicolorMap&&(a=J.jvxl.readers.XmlReader.getXmlAttrib(b,"colorPositive"),0<a.length&&(-2147483648==this.params.colorRgb&&-16776961==this.params.colorPos)&&(this.params.colorPos=JU.CU.getArgbFromString(a)),a=J.jvxl.readers.XmlReader.getXmlAttrib(b,
"colorNegative"),0<a.length&&(-2147483648==this.params.colorRgb&&-65536==this.params.colorNeg)&&(this.params.colorNeg=JU.CU.getArgbFromString(a)));if(this.params.isBicolorMap||this.params.colorBySign)this.jvxlCutoff=0;this.jvxlDataIsColorMapped=(-2147483648==this.params.colorRgb||2147483647==this.params.colorRgb)&&(this.params.isBicolorMap||J.jvxl.readers.XmlReader.getXmlAttrib(b,"colorMapped").equals("true"));this.jvxlData.isJvxlPrecisionColor=J.jvxl.readers.XmlReader.getXmlAttrib(b,"precisionColor").equals("true");
this.jvxlData.jvxlDataIsColorDensity=this.params.colorDensity=-2147483648==this.params.colorRgb&&J.jvxl.readers.XmlReader.getXmlAttrib(b,"colorDensity").equals("true");this.jvxlData.jvxlDataIsColorDensity&&Float.isNaN(this.params.pointSize)&&(a=J.jvxl.readers.XmlReader.getXmlAttrib(b,"pointSize"),0<a.length&&(this.jvxlData.pointSize=this.params.pointSize=this.parseFloatStr(a)));a=J.jvxl.readers.XmlReader.getXmlAttrib(b,"allowVolumeRender");this.jvxlData.allowVolumeRender=this.params.allowVolumeRender=
0==a.length||a.equalsIgnoreCase("true");a=J.jvxl.readers.XmlReader.getXmlAttrib(b,"plane");if(0<=a.indexOf("{")){this.params.thePlane=null;this.params.mapLattice=null;try{this.params.thePlane=JU.Escape.uP(a),a=J.jvxl.readers.XmlReader.getXmlAttrib(b,"maplattice"),JU.Logger.info("JVXL read: plane "+this.params.thePlane),0<=a.indexOf("{")&&(this.params.mapLattice=JU.Escape.uP(a),JU.Logger.info("JVXL read: mapLattice "+this.params.mapLattice)),0==this.params.scale3d&&(this.params.scale3d=this.parseFloatStr(J.jvxl.readers.XmlReader.getXmlAttrib(b,
"scale3d"))),Float.isNaN(this.params.scale3d)&&(this.params.scale3d=0)}catch(e){if(T(e,Exception))null==this.params.thePlane?(JU.Logger.error("JVXL Error reading plane definition -- setting to 0 0 1 0  (z=0)"),this.params.thePlane=JU.P4.new4(0,0,1,0)):JU.Logger.error("JVXL Error reading mapLattice definition -- ignored");else throw e;}this.edgeDataCount=this.surfaceDataCount=0}else this.params.thePlane=null,this.surfaceDataCount=this.parseIntStr(J.jvxl.readers.XmlReader.getXmlAttrib(b,"nSurfaceInts")),
this.edgeDataCount=this.parseIntStr(J.jvxl.readers.XmlReader.getXmlAttrib(b,"nBytesUncompressedEdgeData")),a=J.jvxl.readers.XmlReader.getXmlAttrib(b,"fixedLattice"),0<=a.indexOf("{")&&(this.jvxlData.fixedLattice=JU.Escape.uP(a));this.excludedVertexCount=this.parseIntStr(J.jvxl.readers.XmlReader.getXmlAttrib(b,"nExcludedVertexes"));this.excludedTriangleCount=this.parseIntStr(J.jvxl.readers.XmlReader.getXmlAttrib(b,"nExcludedTriangles"));this.invalidatedVertexCount=this.parseIntStr(J.jvxl.readers.XmlReader.getXmlAttrib(b,
"nInvalidatedVertexes"));a=J.jvxl.readers.XmlReader.getXmlAttrib(b,"slabInfo");0<a.length&&(this.jvxlData.slabInfo=a);this.colorDataCount=Math.max(0,this.parseIntStr(J.jvxl.readers.XmlReader.getXmlAttrib(b,"nBytesUncompressedColorData")));this.jvxlDataIs2dContour=null!=this.params.thePlane&&this.jvxlDataIsColorMapped;this.jvxlData.color=J.jvxl.readers.XmlReader.getXmlAttrib(b,"color");if(0==this.jvxlData.color.length||0<=this.jvxlData.color.indexOf("null"))this.jvxlData.color="orange";this.jvxlData.translucency=
this.parseFloatStr(J.jvxl.readers.XmlReader.getXmlAttrib(b,"translucency"));Float.isNaN(this.jvxlData.translucency)&&(this.jvxlData.translucency=0);a=J.jvxl.readers.XmlReader.getXmlAttrib(b,"meshColor");0<a.length&&(this.jvxlData.meshColor=a);a=J.jvxl.readers.XmlReader.getXmlAttrib(b,"rendering");0<a.length&&(this.jvxlData.rendering=a);this.jvxlData.colorScheme=J.jvxl.readers.XmlReader.getXmlAttrib(b,"colorScheme");0==this.jvxlData.colorScheme.length&&(this.jvxlData.colorScheme=null);0>this.jvxlData.thisSet&&
(a=this.parseIntStr(J.jvxl.readers.XmlReader.getXmlAttrib(b,"set")),0<a&&(this.jvxlData.thisSet=a-1));this.jvxlData.slabValue=this.parseIntStr(J.jvxl.readers.XmlReader.getXmlAttrib(b,"slabValue"));this.jvxlData.isSlabbable=J.jvxl.readers.XmlReader.getXmlAttrib(b,"slabbable").equalsIgnoreCase("true");this.jvxlData.diameter=this.parseIntStr(J.jvxl.readers.XmlReader.getXmlAttrib(b,"diameter"));-2147483648==this.jvxlData.diameter&&(this.jvxlData.diameter=0);this.jvxlDataIs2dContour&&(this.params.isContoured=
!0);this.params.colorBySign&&(this.params.isBicolorMap=!0);a=J.jvxl.readers.XmlReader.getXmlAttrib(b,"insideOut").equals("true");var f=d=c=NaN,h=NaN;this.jvxlDataIsColorMapped&&(c=this.parseFloatStr(J.jvxl.readers.XmlReader.getXmlAttrib(b,"dataMinimum")),d=this.parseFloatStr(J.jvxl.readers.XmlReader.getXmlAttrib(b,"dataMaximum")),f=this.parseFloatStr(J.jvxl.readers.XmlReader.getXmlAttrib(b,"valueMappedToRed")),h=this.parseFloatStr(J.jvxl.readers.XmlReader.getXmlAttrib(b,"valueMappedToBlue")),Float.isNaN(c)&&
(c=f=-1,d=h=1));this.jvxlSetColorRanges(c,d,f,h,a)});e(c$,"jvxlSetColorRanges",function(a,b,c,d,e){this.jvxlDataIsColorMapped&&(!Float.isNaN(a)&&!Float.isNaN(b)&&(0==b&&0==a&&(a=-1,b=1),this.params.mappedDataMin=a,this.params.mappedDataMax=b,JU.Logger.info("JVXL read: data_min/max "+this.params.mappedDataMin+"/"+this.params.mappedDataMax)),this.params.rangeDefined||(!Float.isNaN(c)&&!Float.isNaN(d)?(0==c&&0==d&&(c=-1,d=1),this.params.valueMappedToRed=Math.min(c,d),this.params.valueMappedToBlue=Math.max(c,
d),this.params.isColorReversed=c>d):(this.params.valueMappedToRed=0,this.params.valueMappedToBlue=1),this.params.rangeDefined=!0),JU.Logger.info("JVXL read: color red/blue: "+this.params.valueMappedToRed+"/"+this.params.valueMappedToBlue));this.jvxlData.valueMappedToRed=this.params.valueMappedToRed;this.jvxlData.valueMappedToBlue=this.params.valueMappedToBlue;this.jvxlData.mappedDataMin=this.params.mappedDataMin;this.jvxlData.mappedDataMax=this.params.mappedDataMax;this.jvxlData.isColorReversed=this.params.isColorReversed;
this.jvxlData.insideOut=e;this.params.insideOut&&(this.jvxlData.insideOut=!this.jvxlData.insideOut);this.params.insideOut=this.jvxlData.insideOut},"~N,~N,~N,~N,~B");j(c$,"readSurfaceData",function(){this.thisInside=!this.params.isContoured;this.readSurfaceDataXML()||(this.tempDataXml=this.xr.getXmlData("jvxlEdgeData",null,!0,!1),this.bsVoxelBitSet=J.jvxl.data.JvxlCoder.jvxlDecodeBitSet(this.xr.getXmlData("jvxlEdgeData",this.tempDataXml,!1,!1)),this.readSurfaceDataJXR())},"~B");e(c$,"readSurfaceDataXML",
function(){return this.vertexDataOnly?(this.getEncodedVertexData(),!0):null!=this.params.thePlane?(this.volumeData.setDataDistanceToPlane(this.params.thePlane),this.setVolumeDataV(this.volumeData),this.params.cutoff=0,this.jvxlData.setSurfaceInfo(this.params.thePlane,this.params.mapLattice,0,""),this.jvxlData.scale3d=this.params.scale3d,!0):!1});e(c$,"readSurfaceDataJXR",function(){this.readSurfaceDataVFR(!1);this.volumeData.setMappingPlane(null)});e(c$,"jvxlReadFractionData",function(a){var b;try{if(a.equals("edge"))b=
J.jvxl.data.JvxlCoder.jvxlDecompressString(J.jvxl.readers.XmlReader.getXmlAttrib(this.tempDataXml,"data"));else{var c=this.xr.getXmlData("jvxlColorData",null,!0,!1);this.jvxlData.isJvxlPrecisionColor=J.jvxl.readers.JvxlXmlReader.getEncoding(c).endsWith("2");b=J.jvxl.data.JvxlCoder.jvxlDecompressString(J.jvxl.readers.XmlReader.getXmlAttrib(c,"data"))}}catch(d){if(T(d,Exception))throw JU.Logger.error("Error reading "+a+" data "+d),new NullPointerException;throw d;}return b},"~S,~N");j(c$,"getVoxelBitSet",
function(a){if(null!=this.bsVoxelBitSet)return this.bsVoxelBitSet;var b=new JU.BS,c=0;if(0>=this.surfaceDataCount)return b;for(var d=0;c<a;){d=this.parseInt();if(-2147483648==d&&(this.rd(),null==this.line||-2147483648==(d=this.parseIntStr(this.line))))this.endOfData||JU.Logger.error("end of file in JvxlReader? line="+this.line),this.endOfData=!0,d=1E4;this.thisInside=!this.thisInside;++this.jvxlNSurfaceInts;this.thisInside&&b.setBits(c,c+d);c+=d}return b},"~N");j(c$,"getSurfacePointAndFraction",function(a,
b,c,d,e,f,h,j,m,n,p,s,u){if(0>=this.edgeDataCount)return this.getSPFv(a,b,c,d,e,f,h,j,m,n,p,s,u);u.scaleAdd2(s[0]=this.jvxlGetNextFraction(this.edgeFractionBase,this.edgeFractionRange,0.5),f,e);Float.isNaN(this.valueMin)&&this.setValueMinMax();return 0==this.valueCount||this.includeValueNaN&&Float.isNaN(s[0])?s[0]:this.getNextValue()},"~N,~B,~N,~N,JU.T3,JU.V3,~N,~N,~N,~N,~N,~A,JU.T3");e(c$,"getNextValue",function(){for(var a=NaN;this.colorPtr<this.valueCount&&Float.isNaN(a);){a=this.jvxlData.isJvxlPrecisionColor?
J.jvxl.data.JvxlCoder.jvxlFractionFromCharacter2(this.jvxlColorDataRead.charCodeAt(this.colorPtr),this.jvxlColorDataRead.charCodeAt(this.colorPtr++ +this.valueCount),this.colorFractionBase,this.colorFractionRange):J.jvxl.data.JvxlCoder.jvxlFractionFromCharacter(this.jvxlColorDataRead.charCodeAt(this.colorPtr++),this.colorFractionBase,this.colorFractionRange,0.5);break}return this.valueMin+a*this.valueRange});e(c$,"setValueMinMax",function(){this.valueCount=this.jvxlColorDataRead.length;this.jvxlData.isJvxlPrecisionColor&&
(this.valueCount/=2);this.includeValueNaN=this.valueCount!=this.jvxlEdgeDataRead.length;this.valueMin=!this.jvxlData.isJvxlPrecisionColor?this.params.valueMappedToRed:3.4028235E38==this.params.mappedDataMin?0:this.params.mappedDataMin;this.valueRange=(!this.jvxlData.isJvxlPrecisionColor?this.params.valueMappedToBlue:3.4028235E38==this.params.mappedDataMin?1:this.params.mappedDataMax)-this.valueMin;this.haveReadColorData=!0});e(c$,"jvxlGetNextFraction",function(a,b,c){this.fractionPtr>=this.strFractionTemp.length&&
(this.endOfData||JU.Logger.error("end of file reading compressed fraction data"),this.endOfData=!0,this.strFractionTemp=""+String.fromCharCode(a),this.fractionPtr=0);return J.jvxl.data.JvxlCoder.jvxlFractionFromCharacter(this.strFractionTemp.charCodeAt(this.fractionPtr++),a,b,c)},"~N,~N,~N");j(c$,"readColorData",function(){if(!this.jvxlDataIsColorMapped)return"";var a=this.jvxlData.vertexCount=this.meshData.vc,b=this.meshData.vcs,c=this.meshData.vvs;if("none".equals(this.jvxlColorEncodingRead)){this.jvxlData.vertexColors=
t(a,0);for(var d=t(1,0),c=JU.PT.parseIntNext(this.jvxlColorDataRead,d),c=Math.min(c,a),a=JU.PT.getTokens(this.jvxlColorDataRead.substring(d[0])),e=!1,f=this.jvxlData.translucency,h=0,d=0;d<c;d++)try{var j=J.jvxl.readers.JvxlXmlReader.getColor(a[d]);0==j?j=h:h=j;b[d]=JU.C.getColixTranslucent(this.jvxlData.vertexColors[d]=j);JU.C.isColixTranslucent(b[d])?e=!0:0!=f&&(b[d]=JU.C.getColixTranslucent3(b[d],!0,f))}catch(m){if(T(m,Exception))JU.Logger.info("JvxlXmlReader: Cannot interpret color code: "+a[d]);
else throw m;}e&&0==f&&(this.jvxlData.translucency=0.5);return"-"}null==this.params.colorEncoder&&(this.params.colorEncoder=new JU.ColorEncoder(null,null));this.params.colorEncoder.setColorScheme(null,!1);this.params.colorEncoder.setRange(this.params.valueMappedToRed,this.params.valueMappedToBlue,this.params.isColorReversed);JU.Logger.info("JVXL reading color data mapped min/max: "+this.params.mappedDataMin+"/"+this.params.mappedDataMax+" for "+a+" vertices. using encoding keys "+this.colorFractionBase+
" "+this.colorFractionRange);JU.Logger.info("mapping red--\x3eblue for "+this.params.valueMappedToRed+" to "+this.params.valueMappedToBlue+" colorPrecision:"+this.jvxlData.isJvxlPrecisionColor);var n=Float.isNaN(this.valueMin);n&&this.setValueMinMax();var p=3.4028235E38,s=-3.4028235E38;if(null==b||b.length<a)this.meshData.vcs=b=Q(a,0);e=j=0;this.params.colorBySign&&(e=JU.C.getColix(this.params.isColorReversed?this.params.colorNeg:this.params.colorPos),j=JU.C.getColix(this.params.isColorReversed?this.params.colorPos:
this.params.colorNeg));for(var f=this.meshData.vertexIncrement,u=3.4028235E38==this.params.mappedDataMin,d=0;d<a;d+=f)h=n?c[d]=this.getNextValue():c[d],u&&(h<p&&(p=h),h>s&&(s=h));u&&(this.params.mappedDataMin=p,this.params.mappedDataMax=s);if(null!=this.jvxlData.colorScheme){n=null!=this.marchingSquares&&this.params.isContoured;for(d=0;d<a;d+=f)h=c[d],n?this.marchingSquares.setContourData(d,h):(h=!this.params.colorBySign?this.params.colorEncoder.getColorIndex(h):(this.params.isColorReversed?0<h:0>=
h)?j:e,b[d]=JU.C.getColixTranslucent3(h,!0,this.jvxlData.translucency))}return this.jvxlColorDataRead+"\n"});c$.getColor=e(c$,"getColor",function(a){var b=0;try{switch(a.charAt(0)){case "[":b=JU.CU.getArgbFromString(a);break;case "0":b=JU.PT.parseIntRadix(a.substring(2),16);break;default:b=JU.PT.parseIntRadix(a,10)}}catch(c){if(!T(c,Exception))throw c;}return b},"~S");e(c$,"getEncodedVertexData",function(){var a=this.xr.getXmlData("jvxlSurfaceData",null,!0,!1);this.jvxlDecodeVertexData(this.xr.getXmlData("jvxlVertexData",
a,!0,!1),!1);var b=this.xr.getXmlData("jvxlTriangleData",a,!0,!1),c=this.xr.getXmlData("jvxlTriangleEdgeData",a,!0,!1),d=this.xr.getXmlData("jvxlPolygonColorData",a,!1,!1);this.jvxlDecodeTriangleData(b,c,d);a=this.xr.getXmlData("jvxlColorData",a,!0,!1);this.jvxlColorEncodingRead=J.jvxl.readers.JvxlXmlReader.getEncoding(a);this.jvxlData.isJvxlPrecisionColor=this.jvxlColorEncodingRead.endsWith("2");a=this.getData(a,"jvxlColorData");this.jvxlColorDataRead=this.jvxlColorEncodingRead.equals("none")?a:
J.jvxl.data.JvxlCoder.jvxlDecompressString(a);this.jvxlDataIsColorMapped=(-2147483648==this.params.colorRgb||2147483647==this.params.colorRgb)&&0<this.jvxlColorDataRead.length;this.haveContourData&&this.jvxlDecodeContourData(this.jvxlData,this.xr.getXmlData("jvxlContourData",null,!1,!1))});e(c$,"getData",function(a,b){var c=J.jvxl.readers.XmlReader.getXmlAttrib(a,"data");0==c.length&&(c=this.xr.getXmlData(b,a,!1,!1));return c},"~S,~S");c$.getEncoding=e(c$,"getEncoding",function(a){if(0<J.jvxl.readers.XmlReader.getXmlAttrib(a,
"len").length)return"";a=J.jvxl.readers.XmlReader.getXmlAttrib(a,"encoding");return 0==a.length?"none":a},"~S");e(c$,"jvxlDecodeVertexData",function(a,b){var c=this.parseIntStr(J.jvxl.readers.XmlReader.getXmlAttrib(a,"count"));b||JU.Logger.info("Reading "+c+" vertices");var d=3*c,e=b?Array(c):null,f,h=J.jvxl.readers.XmlReader.getXmlAttrib(a,"data"),j=J.jvxl.readers.JvxlXmlReader.getEncoding(a);if("none".equals(j)){0==h.length&&(h=this.xr.getXmlData("jvxlVertexData",a,!1,!1));d=JU.PT.parseFloatArray(h);
d[0]!=3*c&&JU.Logger.info("JvxlXmlReader: vertexData count="+y(d[0])+"; expected "+3*c);h=0;for(j=1;h<c;h++){var m=JU.P3.new3(d[j++],d[j++],d[j++]);b?e[h]=m:this.addVertexCopy(m,0,h,!1)}}else{var n=this.xr.getXmlPoint(a,"min"),p=this.xr.getXmlPoint(a,"max");p.sub(n);var s=this.jvxlData.colorFractionBase,u=this.jvxlData.colorFractionRange,q=J.jvxl.data.JvxlCoder.jvxlDecompressString(h);0==q.length&&(q=this.xr.getXmlData("jvxlVertexData",a,!1,!1));h=0;for(j=-1;h<c;h++)m=new JU.P3,f=J.jvxl.data.JvxlCoder.jvxlFractionFromCharacter2(q.charCodeAt(++j),
q.charCodeAt(j+d),s,u),m.x=n.x+f*p.x,f=J.jvxl.data.JvxlCoder.jvxlFractionFromCharacter2(q.charCodeAt(++j),q.charCodeAt(j+d),s,u),m.y=n.y+f*p.y,f=J.jvxl.data.JvxlCoder.jvxlFractionFromCharacter2(q.charCodeAt(++j),q.charCodeAt(j+d),s,u),m.z=n.z+f*p.z,b?e[h]=m:this.addVertexCopy(m,0,h,!1)}return e},"~S,~B");e(c$,"jvxlDecodeTriangleData",function(a,b,c){var d=this.parseIntStr(J.jvxl.readers.XmlReader.getXmlAttrib(a,"count"));if(!(0>d)){var e=t(1,0),f=null==c?-1:1,h=0;JU.Logger.info("Reading "+d+" triangles");
var j=J.jvxl.readers.JvxlXmlReader.getEncoding(a);a=this.getData(a,"jvxlTriangleData");b=this.getData(b,"jvxlTriangleEdgeData");var m=t(3,0),n=t(1,0),p=null,s=7,u=!"none".equals(j);if(u)a=J.jvxl.data.JvxlCoder.jvxlDecompressString(a),b=J.jvxl.data.JvxlCoder.jvxlDecompressString(b).trim(),j=b.length==d;else{var q=JU.PT.parseIntNext(a,n);(j=0<b.length)?(p=t(1,0),JU.PT.parseIntNext(b,p)):0<q&&JU.Logger.info("JvxlXmlReader: jvxlTriangleEdgeData count="+q+"; expected "+d)}for(var z=q=0,w=0,y=-1;q<d;){if(u){var A=
a.charAt(++y);switch(A){case "!":A=0;break;case "+":case ".":case " ":case "\n":case "\r":case "\t":case ",":continue;case "-":case "0":case "1":case "2":case "3":case "4":case "5":case "6":case "7":case "8":case "9":n[0]=y;A=JU.PT.parseIntNext(a,n);y=n[0]-1;break;default:A=A.charCodeAt(0)-92}z+=A}else z=JU.PT.parseIntNext(a,n)-1;m[w]=z;if(3==++w){w=0;if(j&&(s=null==p?b.charCodeAt(q)-48:JU.PT.parseIntNext(b,p),0>s||7<s))s=7;0==--f&&(f=JU.PT.parseIntNext(c,e),A=JU.PT.parseIntNext(c,e),-2147483648==
A?f=0:h=A|4278190080);this.addTriangleCheck(m[0],m[1],m[2],s,h,!1,h);q++}}}},"~S,~S,~S");e(c$,"jvxlDecodeContourData",function(a,b){var c=new JU.Lst,d=new JU.SB,e=new JU.SB,f=-1;a.vContours=null;if(null!=b){for(;0<=(f=b.indexOf("<jvxlContour",f+1));){var h=new JU.Lst,j=this.xr.getXmlData("jvxlContour",b.substring(f),!0,!1),m=this.parseFloatStr(J.jvxl.readers.XmlReader.getXmlAttrib(j,"value"));d.append(" ").appendF(m);var n=J.jvxl.readers.JvxlXmlReader.getColor(J.jvxl.readers.XmlReader.getXmlAttrib(j,
"color")),p=JU.C.getColix(n);e.append(" ").append(JU.Escape.escapeColor(n));var s=J.jvxl.data.JvxlCoder.jvxlDecompressString(J.jvxl.readers.XmlReader.getXmlAttrib(j,"data")),u=J.jvxl.data.JvxlCoder.jvxlDecodeBitSet(this.xr.getXmlData("jvxlContour",j,!1,!1)),j=u.length();J.shapesurface.IsosurfaceMesh.setContourVector(h,j,u,m,p,n,JU.SB.newS(s));c.addLast(h)}j=c.size();if(0<j){a.vContours=JU.AU.createArrayOfArrayList(j);a.contourColixes=this.params.contourColixes=Q(j,0);a.contourValues=this.params.contoursDiscrete=
w(j,0);for(f=0;f<j;f++)a.vContours[f]=c.get(f),a.contourValues[f]=a.vContours[f].get(2).floatValue(),a.contourColixes[f]=a.vContours[f].get(3)[0];a.contourColors=JU.C.getHexCodes(a.contourColixes);JU.Logger.info("JVXL read: "+j+" discrete contours");JU.Logger.info("JVXL read: contour values: "+d);JU.Logger.info("JVXL read: contour colors: "+e)}}},"J.jvxl.data.JvxlData,~S");j(c$,"postProcessVertices",function(){var a=this.params.bsExcluded[1];null!=a&&(null!=this.meshDataServer&&this.meshDataServer.fillMeshData(this.meshData,
1,null),this.meshData.invalidateVertices(a),null!=this.meshDataServer&&(this.meshDataServer.fillMeshData(this.meshData,4,null),this.meshData=new J.jvxl.data.MeshData),this.updateTriangles())})});I("J.rendersurface");L(["J.render.MeshRenderer"],"J.rendersurface.IsosurfaceRenderer",["java.lang.Boolean","$.Float","JU.V3","JU.C","$.Normix"],function(){c$=G(function(){this.isBicolorMap=this.iHideBackground=!1;this.nError=this.backgroundColix=0;this.isosurface=this.imesh=this.vertexValues=null;this.showNumbers=
this.iShowNormals=this.isNavigationMode=!1;this.showKey=null;this.hasColorRange=!1;this.meshScale=-1;this.globalSlabValue=this.mySlabValue=0;K(this,arguments)},J.rendersurface,"IsosurfaceRenderer",J.render.MeshRenderer);j(c$,"render",function(){return this.renderIso()});e(c$,"renderIso",function(){this.setGlobals();for(var a=this.isosurface.meshCount;0<=--a;)if(this.mesh=this.imesh=this.isosurface.meshes[a],null==this.imesh.connections||this.vwr.ms.at[this.imesh.connections[0]].checkVisible())this.hasColorRange=
!1,this.renderMeshSlab()&&(this.renderInfo(),this.isExport&&this.isGhostPass&&(this.exportPass=1,this.renderMeshSlab(),this.exportPass=2));return this.needTranslucent});e(c$,"setGlobals",function(){this.needTranslucent=!1;this.antialias=this.g3d.isAntialiased();this.iShowNormals=this.vwr.getTestFlag(4);this.showNumbers=this.vwr.getTestFlag(3);this.isosurface=this.shape;this.exportPass=this.isExport?2:0;this.isNavigationMode=this.vwr.getBoolean(603979889);this.showKey=this.vwr.getBoolean(603979869)?
Boolean.TRUE:null;this.isosurface.keyXy=null;this.meshScale=-1;this.globalSlabValue=this.vwr.gdata.slab;this.mySlabValue=this.isNavigationMode?y(this.tm.getNavigationOffset().z):2147483647});e(c$,"renderInfo",function(){if(!this.isExport&&this.hasColorRange&&!(null==this.imesh.colorEncoder||Boolean.TRUE!==this.showKey)){this.showKey=Boolean.FALSE;var a=null,b=null,c=null,d=0,e=0;if(this.imesh.showContourLines)if(c=this.imesh.getContours(),null==c){b=this.imesh.jvxlData.contourColixes;if(null==b)return;
d=b.length}else d=c.length,e=1;else a=this.imesh.colorEncoder.getColorSchemeArray(this.imesh.colorEncoder.currentPalette),d=null==a?0:a.length,e=2;if(!(2>d)){var f=this.antialias?2:1,h=this.vwr.getScreenHeight()*f,j=F(F(h/2)/(d-1)),h=3*F(h/4)-j,m=10*f,n=20*f;this.isosurface.keyXy=t(-1,[F(m/f),0,F((m+n)/f),F((h+j)/f),F(j/f)]);for(var p=0;p<d;p++,h-=j){switch(e){case 0:if(!this.g3d.setC(b[p]))return;break;case 1:if(!this.g3d.setC(c[p].get(3)[0]))return;break;case 2:this.vwr.gdata.setColor(a[p])}this.g3d.fillTextRect(m,
h,5,-2147483648,n,j)}this.isosurface.keyXy[1]=F((h+j)/f)}}});e(c$,"renderMeshSlab",function(){this.volumeRender=this.imesh.jvxlData.colorDensity&&this.imesh.jvxlData.allowVolumeRender;var a=this.mySlabValue;this.frontOnly=this.mesh.frontOnly||26==this.shapeID;if(!this.isNavigationMode&&(this.meshSlabValue=this.imesh.jvxlData.slabValue,-2147483648!=this.meshSlabValue&&this.imesh.jvxlData.isSlabbable)){for(var b=this.imesh.jvxlData.boundingBox,a=3.4028235E38,c=1.4E-45,d=b.length;0<=--d;)this.pt2f.setT(b[d]),
this.tm.transformPt3f(this.pt2f,this.pt2f),this.pt2f.z<a&&(a=this.pt2f.z),this.pt2f.z>c&&(c=this.pt2f.z);a=Math.round(a+(c-a)*(100-this.meshSlabValue)/100);this.frontOnly=(new Boolean(this.frontOnly&100<=this.meshSlabValue)).valueOf()}b=this.vwr.gdata.translucentCoverOnly;this.vwr.gdata.translucentCoverOnly=this.frontOnly||!this.vwr.getBoolean(603979967);this.thePlane=this.imesh.jvxlData.jvxlPlane;this.vertexValues=this.mesh.vvs;2147483647!=a&&this.imesh.jvxlData.isSlabbable?(this.g3d.setSlab(a),
a=this.renderMesh2(this.mesh),this.g3d.setSlab(this.globalSlabValue)):a=this.renderMesh2(this.mesh);this.vwr.gdata.translucentCoverOnly=b;return a});j(c$,"render2",function(a){if(this.volumeRender)this.renderPoints();else{switch(this.imesh.dataType){case 70:this.renderLonePair(!1);return;case 71:this.renderLonePair(!0);return}this.isBicolorMap=this.imesh.jvxlData.isBicolorMap;this.render2b(a);this.g3d.setC(4)&&this.imesh.showContourLines&&this.renderContourLines()}},"~B");e(c$,"renderLonePair",function(a){this.pt2f.setT(this.vertices[1]);
this.tm.transformPt3f(this.pt2f,this.pt2f);var b=y(this.vwr.tm.scaleToScreen(y(this.pt2f.z),100));1>b&&(b=1);if(!a){var c=new JU.V3;a=new JU.V3;this.pt1f.setT(this.vertices[0]);this.tm.transformPt3f(this.pt1f,this.pt1f);c.sub2(this.pt2f,this.pt1f);a.set(c.x,c.y,c.z+1);a.cross(a,c);a.normalize();c=this.vwr.tm.scaleToScreen(y(this.pt1f.z),100);a.scale(c);this.pt1f.add2(this.pt2f,a);this.pt2f.sub(a);this.screens[0].set(Math.round(this.pt1f.x),Math.round(this.pt1f.y),Math.round(this.pt1f.z));this.g3d.fillSphereI(b,
this.screens[0])}this.screens[1].set(Math.round(this.pt2f.x),Math.round(this.pt2f.y),Math.round(this.pt2f.z));this.g3d.fillSphereI(b,this.screens[1])},"~B");e(c$,"renderContourLines",function(){var a=this.imesh.getContours();if(null==a)null!=this.imesh.jvxlData.contourValues&&(this.hasColorRange=!0);else{this.hasColorRange=0==this.mesh.meshColix;for(var b=a.length;0<=--b;){var c=a[b];if(!(6>c.size())){this.colix=0==this.mesh.meshColix?c.get(3)[0]:this.mesh.meshColix;if(!this.g3d.setC(this.colix))break;
for(var d=c.size()-1,e=this.getDiameter(),f=6;f<d;f++){var h=c.get(f),j=c.get(++f);if(Float.isNaN(h.x)||Float.isNaN(j.x))break;this.tm.transformPtScrT3(h,this.pt1f);this.tm.transformPtScrT3(j,this.pt2f);this.pt1f.z-=2;this.pt2f.z-=2;!this.antialias&&1==e?this.g3d.drawLineAB(this.pt1f,this.pt2f):this.g3d.fillCylinderBits(1,e,this.pt1f,this.pt2f)}}}}});j(c$,"renderPoints",function(){try{this.volumeRender&&this.g3d.volumeRender(!0);var a=(this.volumeRender||0==this.mesh.pc)&&this.selectedPolyOnly,b=
this.imesh.vertexIncrement,c;0>=this.mesh.diameter?(c=this.vwr.getInt(553648144),this.frontOnly=!1):c=F(this.vwr.getScreenDim()/(this.volumeRender?50:100));var d=Math.round(Float.isNaN(this.mesh.volumeRenderPointSize)?150:1E3*this.mesh.volumeRenderPointSize);1>c&&(c=1);var e=this.showNumbers?F(this.vwr.getScreenWidth()/2):0,f=this.showNumbers?F(this.vwr.getScreenHeight()/2):0;this.showNumbers&&this.vwr.gdata.setFontFid(this.vwr.gdata.getFontFidFS("Monospaced",24));for(var h=!this.imesh.hasGridPoints||
0>this.imesh.firstRealVertex?0:this.imesh.firstRealVertex;h<this.vertexCount;h+=b)if(!(null!=this.vertexValues&&Float.isNaN(this.vertexValues[h])||this.frontOnly&&0>this.transformedVectors[this.normixes[h]].z||0<=this.imesh.jvxlData.thisSet&&this.mesh.vertexSets[h]!=this.imesh.jvxlData.thisSet||!this.mesh.isColorSolid&&null!=this.mesh.vcs&&!this.setColix(this.mesh.vcs[h])||this.haveBsDisplay&&!this.mesh.bsDisplay.get(h)||a&&!this.bsPolygons.get(h))){this.hasColorRange=!0;if(this.showNumbers&&10<this.screens[h].z&&
150>Math.abs(this.screens[h].x-e)&&150>Math.abs(this.screens[h].y-f)){var j=h+(this.mesh.isColorSolid?"":" "+this.mesh.vvs[h]);this.g3d.setC(4);this.g3d.drawStringNoSlab(j,null,this.screens[h].x,this.screens[h].y,this.screens[h].z-30,0)}this.volumeRender?(c=y(this.vwr.tm.scaleToScreen(this.screens[h].z,d)),1>c&&(c=1),this.g3d.volumeRender4(c,this.screens[h].x,this.screens[h].y,this.screens[h].z)):this.g3d.fillSphereI(c,this.screens[h])}if(3==b){this.g3d.setC(this.isTranslucent?JU.C.getColixTranslucent3(12,
!0,0.5):12);for(h=1;h<this.vertexCount;h+=3)this.g3d.fillCylinder(3,F(c/4),this.screens[h],this.screens[h+1]);this.g3d.setC(this.isTranslucent?JU.C.getColixTranslucent3(21,!0,0.5):21);for(h=1;h<this.vertexCount;h+=3)this.g3d.fillSphereI(c,this.screens[h]);this.g3d.setC(this.isTranslucent?JU.C.getColixTranslucent3(7,!0,0.5):7);for(h=2;h<this.vertexCount;h+=3)this.g3d.fillSphereI(c,this.screens[h])}}catch(m){}this.volumeRender&&this.g3d.volumeRender(!1)});j(c$,"renderTriangles",function(a,b,c){this.g3d.addRenderer(1073742182);
var d=this.mesh.pis;this.colix=this.isGhostPass?this.mesh.slabColix:!a&&0!=this.mesh.meshColix?this.mesh.meshColix:this.mesh.colix;var e=!a&&0!=this.mesh.meshColix?null:this.mesh.vcs;this.isTranslucentInherit&&(this.colix=JU.C.copyColixTranslucency(this.mesh.slabColix,this.mesh.colix));this.g3d.setC(this.colix);c&&(this.frontOnly&&a&&(this.frontOnly=!1),this.bsPolygonsToExport.clearAll());1==this.exportType&&(this.frontOnly=!1);var f=this.isGhostPass&&!this.isBicolorMap||null==e||this.mesh.isColorSolid,
h=this.isGhostPass&&!this.isBicolorMap||null==e||!a&&0!=this.mesh.meshColix,j=this.colix;null!=this.imesh.jvxlData.jvxlPlane&&(!f&&!a&&this.mesh.fillTriangles)&&(f=!0,j=4);var m=f&&null!=this.mesh.pcs;m&&(!a&&this.mesh.fillTriangles)&&(m=!1);var n=this.imesh.jvxlData.contourColixes;this.hasColorRange=!f&&!this.isBicolorMap;for(var p=this.getDiameter(),s=this.mesh.pc;0<=--s;){var u=d[s];if(!(null==u||this.selectedPolyOnly&&!this.bsPolygons.get(s))){var q=u[0],t=u[1],w=u[2];if(!(0<=this.imesh.jvxlData.thisSet&&
null!=this.mesh.vertexSets&&this.mesh.vertexSets[q]!=this.imesh.jvxlData.thisSet)&&(!this.haveBsDisplay||this.mesh.bsDisplay.get(q)&&this.mesh.bsDisplay.get(t)&&this.mesh.bsDisplay.get(w))){var y=this.normixes[q],A=this.normixes[t],G=this.normixes[w],C=this.checkNormals(y,A,G);if(!(a&&0==C)){var D,E,F;if(f){if(m&&s<this.mesh.pcs.length){D=this.mesh.pcs[s];if(0==D)continue;j=D}b&&(j=Math.round(10*Math.random())+5);D=E=F=j}else if(D=e[q],E=e[t],F=e[w],this.isBicolorMap){if(D!=E||E!=F)continue;this.isGhostPass&&
(D=E=F=JU.C.copyColixTranslucency(this.mesh.slabColix,D))}if(a)c?this.bsPolygonsToExport.set(s):(t==w?(this.setColix(D),q==t?this.g3d.fillSphereI(p,this.screens[q]):this.g3d.fillCylinder(3,p,this.screens[q],this.screens[t])):this.mesh.colorsExplicit?(this.vwr.gdata.setColor(u[4]),D=JU.C.copyColixTranslucency(this.mesh.colix,2047),this.g3d.setC(D),this.g3d.fillTriangle3CN(this.screens[q],D,y,this.screens[t],D,A,this.screens[w],D,G)):(this.isTranslucentInherit&&null!=e&&(D=JU.C.copyColixTranslucency(this.mesh.slabColix,
e[q]),E=JU.C.copyColixTranslucency(this.mesh.slabColix,e[t]),F=JU.C.copyColixTranslucency(this.mesh.slabColix,e[w])),this.g3d.fillTriangle3CN(this.screens[q],D,y,this.screens[t],E,A,this.screens[w],F,G)),this.iShowNormals&&this.renderNormals());else if(C&=u[3],0!=C){b&&(C=7);this.pt1i.setT(this.screens[q]);this.pt2i.setT(this.screens[t]);this.pt3i.setT(this.screens[w]);this.pt1i.z-=2;this.pt2i.z-=2;this.pt3i.z-=2;if(!h)if(m)this.g3d.setC(this.mesh.fillTriangles?4:n[u[4]%n.length]);else{this.drawTriangle(this.pt1i,
D,this.pt2i,E,this.pt3i,F,C,p);continue}this.drawTriangle(this.pt1i,j,this.pt2i,j,this.pt3i,j,C,p)}}}}}c&&this.exportSurface(f?j:0)},"~B,~B,~B");e(c$,"getDiameter",function(){var a;0>=this.mesh.diameter?(a=0>this.meshScale?this.meshScale=this.vwr.getInt(553648151):this.meshScale,this.antialias&&(a*=2)):a=F(this.vwr.getScreenDim()/100);1>a&&(a=1);return a});e(c$,"renderNormals",function(){if(this.g3d.setC(JU.C.copyColixTranslucency(this.mesh.colix,8))){this.vwr.gdata.setFontFid(this.vwr.gdata.getFontFidFS("Monospaced",
24));for(var a=JU.Normix.getVertexVectors(),b=this.vertexCount;0<=--b;)if(!(null!=this.vertexValues&&Float.isNaN(this.vertexValues[b]))&&!(100<b)){this.pt1f.setT(this.vertices[b]);var c=this.mesh.normixes[b];0<=c&&(this.pt1f.scaleAdd2(3,a[c],this.pt1f),this.tm.transformPtScrT3(this.pt1f,this.pt1f),this.pt1f.set(this.screens[b].x,this.screens[b].y,this.screens[b].z),this.g3d.drawLineAB(this.pt1f,this.pt1f))}}})})})(Clazz,Clazz.newLongArray,Clazz.doubleToByte,Clazz.doubleToInt,Clazz.doubleToLong,Clazz.declarePackage,
Clazz.instanceOf,Clazz.load,Clazz.instantialize,Clazz.decorateAsClass,Clazz.floatToInt,Clazz.floatToLong,Clazz.makeConstructor,Clazz.defineEnumConstant,Clazz.exceptionOf,Clazz.newIntArray,Clazz.defineStatics,Clazz.newFloatArray,Clazz.declareType,Clazz.prepareFields,Clazz.superConstructor,Clazz.newByteArray,Clazz.declareInterface,Clazz.p0p,Clazz.pu$h,Clazz.newShortArray,Clazz.innerTypeInstance,Clazz.isClassDefined,Clazz.prepareCallback,Clazz.newArray,Clazz.castNullAs,Clazz.floatToShort,Clazz.superCall,
Clazz.decorateAsType,Clazz.newBooleanArray,Clazz.newCharArray,Clazz.implementOf,Clazz.newDoubleArray,Clazz.overrideConstructor,Clazz.clone,Clazz.doubleToShort,Clazz.getInheritedLevel,Clazz.getParamsType,Clazz.isAF,Clazz.isAI,Clazz.isAS,Clazz.isASS,Clazz.isAP,Clazz.isAFloat,Clazz.isAII,Clazz.isAFF,Clazz.isAFFF,Clazz.tryToSearchAndExecute,Clazz.getStackTrace,Clazz.inheritArgs,Clazz.alert,Clazz.defineMethod,Clazz.overrideMethod,Clazz.declareAnonymous,Clazz.cloneFinals);
