(function(O,P,Q,G,R,I,s,K,L,M,z,S,N,T,y,C,U,t,V,W,X,Y,Z,$,aa,ba,ca,da,ea,u,fa,ga,ha,ia,ja,ka,la,ma,na,oa,pa,qa,ra,sa,ta,ua,va,wa,xa,ya,za,Aa,Ba,Ca,Da,Ea,l){I("JS");K(null,"JS.MathExt","java.lang.Float $.Number java.util.Date $.Hashtable $.Random JU.AU $.BS $.CU $.Lst $.M3 $.M4 $.Measure $.P3 $.P4 $.PT $.Quat $.SB $.V3 J.api.Interface J.atomdata.RadiusData J.c.VDW J.i18n.GT JM.BondSet JS.SV $.ScriptParam $.T JU.BSUtil $.Escape $.JmolMolecule $.Logger $.Parser $.Point3fi".split(" "),function(){c$=M(function(){this.pm=
this.rand=this.e=this.vwr=null;L(this,arguments)},JS,"MathExt");N(c$,function(){});l(c$,"init",function(d){this.e=d;this.vwr=this.e.vwr;return this},"~O");l(c$,"evaluate",function(d,a,b,c){switch(c){case 135266826:case 135266818:case 135266821:case 135266318:case 135266820:case 135266822:return this.evaluateMath(d,b,c);case 1276118017:case 1276117504:case 1276117507:case 1276117508:case 1276117511:case 1276384259:case 1276383249:return this.evaluateList(d,a.intValue,b);case 135266306:case 269484096:return this.evaluateArray(d,
b,!1);case 135266307:case 135270418:return this.evaluateQuaternion(d,b,c);case 1276116995:return this.evaluateBin(d,b);case 135270423:return this.evaluateCache(d,b);case 1276117514:case 1276117515:return this.evaluateRowCol(d,b,c);case 1766856708:return this.evaluateColor(d,b);case 135270405:return this.evaluateCompare(d,b);case 1229980163:case 135266310:case 1276252167:return this.evaluateConnected(d,b,c);case 135402505:return this.evaluateContact(d,b);case 135267329:return this.evaluateCross(d,
b);case 135270408:return this.evaluateData(d,b);case 1276117505:return this.evaluateDotDist(d,b,0);case 1276118018:if(269484241==a.tok)return this.evaluateDotDist(d,b,a.intValue);case 135266305:case 1746538509:return this.evaluateMeasure(d,b,a.tok);case 1229984263:case 135271427:return this.evaluateLoad(d,b,1229984263==c);case 1276117019:return this.evaluateFind(d,b);case 1288701959:case 1826248716:return this.evaluateFormat(d,a.intValue,b,1826248716==c);case 135368713:return this.evaluateUserFunction(d,
a.value,b,a.intValue,269484241==a.tok);case 1276117018:case 1276121098:return this.evaluateGetProperty(d,b,1276117018==c,269484241==a.tok);case 137363467:return this.evaluateHelix(d,b);case 135267841:case 135266319:case 135267842:return this.evaluatePlane(d,b,c);case 135266829:case 135287308:case 135271429:case 135270926:return this.evaluateScript(d,b,c);case 1276118020:case 1276118021:case 1276117512:return this.evaluateString(d,a.intValue,b);case 135266320:return this.evaluatePoint(d,b);case 135304707:return this.evaluatePrompt(d,
b);case 135267844:return this.evaluateRandom(d,b);case 1276116993:return this.evaluateIn(d,b);case 1276121113:return this.evaluateModulation(d,b);case 1276117020:return this.evaluateReplace(d,b);case 135267335:case 135267336:case 1238369286:return this.evaluateSubstructure(d,b,c);case 1276117011:case 1276117012:return this.evaluateSort(d,b,c);case 1297090050:return this.evaluateSymop(d,b,269484241==a.tok);case 1276117016:return this.evaluateTensor(d,b);case 135266325:return this.evaluateWithin(d,
b);case 135270422:return this.evaluateWrite(d,b)}return!1},"JS.ScriptMathProcessor,JS.T,~A,~N");l(c$,"evaluateArray",function(d,a,b){var c=a.length;if(b&&(4==c||3==c)){var e=!0;for(b=0;b<c&&e;b++)e=7==a[b].tok&&a[b].getList().size()==c;if(e){var f=t(c*c,0),g=0;for(b=0;b<c&&e;b++)for(var h=a[b].getList(),j=0;j<c;j++){var k=JS.SV.fValue(h.get(j));if(Float.isNaN(k)){e=!1;break}f[g++]=k}if(e)return 3==c?d.addXM3(JU.M3.newA9(f)):d.addXM4(JU.M4.newA16(f))}}c=Array(a.length);for(b=c.length;0<=--b;)c[b]=
JS.SV.newT(a[b]);return d.addXAV(c)},"JS.ScriptMathProcessor,~A,~B");l(c$,"evaluateBin",function(d,a){if(3!=a.length&&4!=a.length)return!1;var b=d.getX(),c=13==b.tok;if(!c&&7!=b.tok)return d.addX(b);var e=JS.SV.fValue(a[0]),f=JS.SV.fValue(a[1]),g=JS.SV.fValue(a[2]),h=4==a.length?JS.SV.sValue(a[3]):null,j=null;if(c)b=b.value;else{c=b.getList();b=t(c.size(),0);null!=h&&(j=JU.AU.createArrayOfHashtable(c.size()));try{for(var k=c.size();0<=--k;)b[k]=JS.SV.fValue(null==h?c.get(k):(j[k]=c.get(k).getMap()).get(h))}catch(q){if(y(q,
Exception))return!1;throw q;}}for(var f=Math.max(G(Math.floor((f-e)/g+0.01)),1),c=C(f,0),m=b.length,k=0;k<m;k++){var n=G(Math.floor((b[k]-e)/g));0>n?n=0:n>=f&&(n=f-1);c[n]++;if(null!=h){var p=j[k];if(null!=p){p.put("_bin",JS.SV.newI(n));var l=e+g*n,s=l+g;p.put("_binMin",JS.SV.newV(3,Float.$valueOf(0==n?-3.4028235E38:l)));p.put("_binMax",JS.SV.newV(3,Float.$valueOf(n==f-1?3.4028235E38:s)))}}}return d.addXAI(c)},"JS.ScriptMathProcessor,~A");l(c$,"evaluateCache",function(d,a){return 0<a.length?!1:d.addXMap(this.vwr.fm.cacheList())},
"JS.ScriptMathProcessor,~A");l(c$,"evaluateColor",function(d,a){var b=0<a.length?JS.SV.sValue(a[0]):"",c=b.startsWith("$");if(2==a.length&&b.equalsIgnoreCase("TOHSL"))return d.addXPt(JU.CU.rgbToHSL(JU.P3.newP(8==a[1].tok?JS.SV.ptValue(a[1]):JU.CU.colorPtFromString(a[1].asString())),!0));if(2==a.length&&b.equalsIgnoreCase("TORGB")){var e=JU.P3.newP(8==a[1].tok?JS.SV.ptValue(a[1]):JU.CU.colorPtFromString(a[1].asString()));return d.addXPt(8==a[1].tok?JU.CU.hslToRGB(e):e)}if(4==a.length&&(1048589==a[3].tok||
1048588==a[3].tok)){var e=JU.P3.newP(8==a[0].tok?JS.SV.ptValue(a[0]):JU.CU.colorPtFromString(a[0].asString())),f=JU.P3.newP(8==a[1].tok?JS.SV.ptValue(a[1]):JU.CU.colorPtFromString(a[1].asString())),g=1048589==a[3].tok;g&&(e=JU.CU.rgbToHSL(e,!1),f=JU.CU.rgbToHSL(f,!1));var h=new JU.SB,f=JU.V3.newVsub(f,e),j=a[2].asInt();2>j&&(j=20);f.scale(1/(j-1));for(b=0;b<j;b++)h.append(JU.Escape.escapeColor(JU.CU.colorPtToFFRGB(g?JU.CU.hslToRGB(e):e))),e.add(f);return d.addXStr(h.toString())}j=c?null:this.vwr.cm.getColorEncoder(b);
if(!c&&null==j)return d.addXStr("");e=1<a.length?JS.SV.fValue(a[1]):3.4028235E38;f=2<a.length?JS.SV.fValue(a[2]):3.4028235E38;g=3<a.length?JS.SV.fValue(a[3]):3.4028235E38;h=3.4028235E38!=g||3.4028235E38!=e&&3.4028235E38==f;3.4028235E38==f&&0==b.length&&(g=e,f=this.vwr.getCurrentColorRange(),e=f[0],f=f[1]);if(c){j=b.substring(1);j=u(-1,[j,null]);if(!this.vwr.shm.getShapePropertyData(24,"colorEncoder",j))return d.addXStr("");j=j[1]}else j.setRange(e,f,e>f);b=j.getColorKey();return h?d.addXPt(JU.CU.colorPtFromInt(j.getArgb(3.4028235E38==
f?e:g),null)):d.addX(JS.SV.getVariableMap(b))},"JS.ScriptMathProcessor,~A");l(c$,"evaluateCompare",function(d,a){if(2>a.length||5<a.length)return!1;var b,c=JS.SV.sValue(a[a.length-1]),e=c.equalsIgnoreCase("stddev"),f=c.equalsIgnoreCase("ISOMER"),g=c.equalsIgnoreCase("BONDS"),h=!f&&a.length>(e?3:2),j=10==a[0].tok?a[0].value:null,k=10==a[1].tok?a[1].value:null,q=null==j?JS.SV.sValue(a[0]):"",m=null==k?JS.SV.sValue(a[1]):"",n=new JU.M4;b=NaN;var p,l;if(h&&(null==j||null==k))return!1;if(g){if(4!=a.length)return!1;
q=JS.SV.sValue(a[2]);h=q.equalsIgnoreCase("SMILES");try{h&&(q=this.vwr.getSmiles(j))}catch(s){if(y(s,Exception))this.e.evalError(s.getMessage(),null);else throw s;}var r=this.e.getSmilesExt().getFlexFitList(j,k,q,!h);return null==r?d.addXStr(""):d.addXAF(r)}try{if(f){if(3!=a.length)return!1;if(null==j&&null==k)return d.addXStr(this.vwr.getSmilesMatcher().getRelationship(q,m).toUpperCase());var t=null==j?this.vwr.getSmilesMatcher().getMolecularFormula(q,!1):JU.JmolMolecule.getMolecularFormula(this.vwr.ms.at,
j,!1,null,!1),v=null==k?this.vwr.getSmilesMatcher().getMolecularFormula(m,!1):JU.JmolMolecule.getMolecularFormula(this.vwr.ms.at,k,!1,null,!1);if(!t.equals(v))return d.addXStr("NONE");null!=j&&(q=this.e.getSmilesExt().getSmilesMatches("",null,j,null,!1,!0,!1));var w;w=null==k?0<this.vwr.getSmilesMatcher().areEqual(m,q):0<=this.e.getSmilesExt().getSmilesMatches(q,null,k,null,!1,!0,!1).nextSetBit(0);if(!w){p=q+m;if(0<=p.indexOf("/")||0<=p.indexOf("\\")||0<=p.indexOf("@")){if(0<=q.indexOf("@")&&(null!=
k||0<=m.indexOf("@")))if(q=this.vwr.getSmilesMatcher().reverseChirality(q),w=null==k?0<this.vwr.getSmilesMatcher().areEqual(q,m):0<=this.e.getSmilesExt().getSmilesMatches(q,null,k,null,!1,!0,!1).nextSetBit(0))return d.addXStr("ENANTIOMERS");null==k?w=0<this.vwr.getSmilesMatcher().areEqual("/nostereo/"+m,q):(r=this.e.getSmilesExt().getSmilesMatches("/nostereo/"+q,null,k,null,!1,!0,!1),w=0<=r.nextSetBit(0));if(w)return d.addXStr("DIASTERIOMERS")}return d.addXStr("CONSTITUTIONAL ISOMERS")}if(null==j||
null==k)return d.addXStr("IDENTICAL");b=this.e.getSmilesExt().getSmilesCorrelation(j,k,q,null,null,null,null,!1,null,null,!1,65536);return d.addXStr(0.2>b?"IDENTICAL":"IDENTICAL or CONFORMATIONAL ISOMERS (RMSD="+b+")")}if(h){p=new JU.Lst;l=new JU.Lst;var c=JS.SV.sValue(a[2]),x=c.equalsIgnoreCase("MAP"),h=c.equalsIgnoreCase("SMILES"),D=x||c.equalsIgnoreCase("SMARTS");if(h||D)c=3<a.length?JS.SV.sValue(a[3]):null;var u="H".equalsIgnoreCase(c)||"allH".equalsIgnoreCase(c)||"bestH".equalsIgnoreCase(c);
"polyhedra".equalsIgnoreCase(c)&&(c=4<a.length?JS.SV.sValue(a[4]):null);var A="all".equalsIgnoreCase(c)||"allH".equalsIgnoreCase(c),E="best".equalsIgnoreCase(c)||"bestH".equalsIgnoreCase(c);if(null==c||u||A||E){if(!x&&!h)return!1;c="/noaromatic"+(A||E?"/":" nostereo/")+this.e.getSmilesExt().getSmilesMatches(u?"H":"",null,j,null,!1,!0,!1)}else A=!0;b=this.e.getSmilesExt().getSmilesCorrelation(j,k,c,p,l,n,null,x,null,null,E,(h?65536:131072)|(!A&&!E?4194304:0));if(x){var F=p.size();if(0==F)return d.addXStr("");
for(var z=G(l.size()/F),r=new JU.Lst,q=k=0;k<z;k++){var H=JU.AU.newInt2(F);r.addLast(H);for(m=0;m<F;m++,q++)H[m]=C(-1,[p.get(m).i,l.get(q).i])}return A?d.addXList(r):0<r.size()?d.addXAII(r.get(0)):d.addXStr("")}}else p=this.e.getPointVector(a[0],0),l=this.e.getPointVector(a[1],0),null!=p&&null!=l&&(J.api.Interface.getInterface("JU.Eigen",this.vwr,"script"),b=JU.Measure.getTransformMatrix4(p,l,n,null));return e||Float.isNaN(b)?d.addXFloat(b):d.addXM4(n.round(1E-7))}catch(B){if(y(B,Exception))return this.e.evalError(null==
B.getMessage()?B.toString():B.getMessage(),null),!1;throw B;}},"JS.ScriptMathProcessor,~A");l(c$,"evaluateConnected",function(d,a,b){if(5<a.length||1229980163==b&&1!=a.length)return!1;var c=-2147483648,e=2147483647,f=0,g=3.4028235E38,h=65535,j=null,k=null,q=!1,m=!1;switch(b){case 1276252167:j=-2147483648;k=null;if(0<a.length)switch(a[0].tok){case 2:j=a[0].intValue;break;case 4:k=JS.SV.sValue(a[0])}j=u(-1,[Integer.$valueOf(j),k,null]);this.vwr.shm.getShapePropertyData(21,"centers",j);return d.addXBs(null==
j[2]?new JU.BS:j[2]);case 1229980163:j=d.getX();if(10!=j.tok)return!1;j=JS.SV.bsSelectVar(j);k=JS.SV.bsSelectVar(a[0]);a=new JU.Lst;f=this.vwr.ms.at;for(b=j.nextSetBit(0);0<=b;b=j.nextSetBit(b+1)){for(var n=0,g=f[b].bonds,m=g.length;0<=--m;)k.get(g[m].getOtherAtom(f[b]).i)&&n++;a.addLast(Integer.$valueOf(n))}return d.addXList(a)}for(b=0;b<a.length;b++){var p=a[b];switch(p.tok){case 10:if((m=s(p.value,JM.BondSet))&&null!=j)return!1;if(null==j)j=JS.SV.bsSelectVar(p);else if(null==k)k=JS.SV.bsSelectVar(p);
else return!1;break;case 4:n=JS.SV.sValue(p);h=n.equalsIgnoreCase("hbond")?30720:JS.ScriptParam.getBondOrderFromString(n);if(131071==h)return!1;break;case 3:q=!0;default:n=p.asInt();p=p.asFloat();if(2147483647!=e)return!1;-2147483648==c?(c=Math.max(n,0),f=p):(e=n,g=p)}}-2147483648==c?(c=1,e=100,f=0.1,g=1E8):2147483647==e&&(e=c,g=f,f=0.1);null==j&&(j=this.vwr.getAllAtoms());q&&null==k&&(k=j);return null!=k?(a=new JU.BS,this.vwr.makeConnections(f,g,h,1087373321,j,k,a,m,!1,0),d.addX(JS.SV.newV(10,JM.BondSet.newBS(a,
this.vwr.ms.getAtomIndices(this.vwr.ms.getAtoms(1678770178,a)))))):d.addXBs(this.vwr.ms.getAtomsConnected(c,e,h,j))},"JS.ScriptMathProcessor,~A,~N");l(c$,"evaluateContact",function(d,a){if(1>a.length||3<a.length)return!1;var b=0,c=100;switch(a[0].tok){case 3:case 2:c=JS.SV.fValue(a[b++]);break;case 10:break;default:return!1}if(b==a.length||!s(a[b].value,JU.BS))return!1;var e=JU.BSUtil.copy(JS.SV.bsSelectVar(a[b++])),b=b<a.length?JU.BSUtil.copy(JS.SV.bsSelectVar(a[b])):null,c=new J.atomdata.RadiusData(null,
10<c?c/100:c,10<c?J.atomdata.RadiusData.EnumType.FACTOR:J.atomdata.RadiusData.EnumType.OFFSET,J.c.VDW.AUTO),b=this.setContactBitSets(e,b,!0,NaN,c,!1);b.or(e);return d.addXBs(b)},"JS.ScriptMathProcessor,~A");l(c$,"evaluateCross",function(d,a){if(2!=a.length)return!1;var b=a[0],c=a[1];if(8!=b.tok||8!=c.tok)return!1;b=JU.V3.newV(b.value);c=JU.V3.newV(c.value);b.cross(b,c);return d.addXPt(JU.P3.newP(b))},"JS.ScriptMathProcessor,~A");l(c$,"evaluateData",function(d,a){var b=JS.SV.sValue(a[0]);switch(a.length){case 1:break;
case 2:case 3:if(10==a[0].tok)return d.addXStr(this.vwr.getModelFileData(b,JS.SV.sValue(a[1]),3==a.length&&JS.SV.bValue(a[2])));break;case 4:var b=a[1].asInt(),c=a[2].asInt(),e=a[3].asInt(),b=JU.Parser.parseFloatArrayFromMatchAndField(JS.SV.sValue(a[0]),null,0,0,null,b,c,null,e);return d.addXStr(JU.Escape.escapeFloatA(b,!1));default:return!1}if(0==b.indexOf("data2d_"))return b=this.vwr.getDataFloat2D(b),null==b?d.addXStr(""):2==a.length&&2==a[1].tok?(c=a[1].intValue,0>c&&(c+=b.length),0<=c&&c<b.length?
d.addXStr(JU.Escape.escapeFloatA(b[c],!1)):d.addXStr("")):d.addXStr(JU.Escape.escapeFloatAA(b,!1));if(0==b.indexOf("property_"))return b=this.vwr.getDataFloat(b),null==b?d.addXStr(""):d.addXStr(JU.Escape.escapeFloatA(b,!1));b=this.vwr.getData(b);return d.addXStr(null==b?"":""+b[1])},"JS.ScriptMathProcessor,~A");l(c$,"evaluateDotDist",function(d,a,b){var c=0!=b;switch(a.length){case 1:break;case 2:if(c)break;default:return!1}var e=d.getX(),f=a[0],g=7==f.tok?null:d.ptValue(f),h=d.planeValue(f);if(c){var j=
b&480,k=32==j||64==j,q=480==j;switch(e.tok){case 10:var m=JS.SV.bsSelectVar(e),n=null,p=k&&2==a.length&&a[1].asBoolean();switch(f.tok){case 10:n=10==f.tok?JS.SV.bsSelectVar(f):null;case 8:a=this.vwr.ms.at;if(p){k=NaN;q=2147483647;for(c=m.nextSetBit(0);0<=c;c=m.nextSetBit(c+1))if(p=null==n?a[c].distanceSquared(g):this.e.getBitsetProperty(n,b,a[c],h,e.value,null,!1,e.index,!1).floatValue(),!(32==j?p>=k:p<=k))k=p,q=c;return d.addXBs(2147483647==q?new JU.BS:JU.BSUtil.newAndSetBit(q))}if(q){if(null==n){k=
t(m.cardinality(),0);j=0;for(c=m.nextSetBit(0);0<=c;c=m.nextSetBit(c+1),j++)k[j]=a[c].distance(g);return d.addXAF(k)}g=t(m.cardinality(),n.cardinality(),0);j=0;for(c=m.nextSetBit(0);0<=c;c=m.nextSetBit(c+1),j++){h=0;for(e=n.nextSetBit(0);0<=e;e=n.nextSetBit(e+1),h++)g[j][h]=a[c].distance(a[e])}return d.addXAFF(g)}if(k){k=t(m.cardinality(),0);c=m.nextSetBit(0);for(j=0;0<=c;c=m.nextSetBit(c+1))k[j++]=this.e.getBitsetProperty(n,b,a[c],h,e.value,null,!1,e.index,!1).floatValue();return d.addXAF(k)}return d.addXObj(this.e.getBitsetProperty(m,
b,g,h,e.value,null,!1,e.index,!1))}}}m=d.ptValue(e);n=d.planeValue(e);e=NaN;try{c?e=null!=h&&2==a.length?JU.Measure.directedDistanceToPlane(m,h,JS.SV.ptValue(a[1])):null==n?null==h?g.distance(m):JU.Measure.distanceToPlane(h,m):JU.Measure.distanceToPlane(n,g):null!=n&&null!=h?e=n.x*h.x+n.y*h.y+n.z*h.z+n.w*h.w:(null!=n?m=JU.P3.new3(n.x,n.y,n.z):null!=h&&(g=JU.P3.new3(h.x,h.y,h.z)),e=m.dot(g))}catch(l){if(!y(l,Exception))throw l;}return d.addXFloat(e)},"JS.ScriptMathProcessor,~A,~N");l(c$,"evaluateHelix",
function(d,a){if(1>a.length||5<a.length)return!1;var b=2<a.length?3:1,c=b>=a.length?"array":JS.SV.sValue(a[b]),b=JS.T.getTokFromName(c);if(2<a.length){var e=d.ptValue(a[0]),f=d.ptValue(a[1]);if(0==b||9!=a[2].tok||null==e||null==f)return!1;var g=JU.Quat.newP4(a[2].value),g=JU.Measure.computeHelicalAxis(e,f,g);return null==g?!1:d.addXObj(JU.Escape.escapeHelical(c,b,e,f,g))}c=s(a[0].value,JU.BS)?a[0].value:this.vwr.ms.getAtoms(1095763987,new Integer(a[0].asInt()));switch(b){case 135266320:return d.addXObj(this.getHelixData(c,
135266320));case 1073741854:return d.addXObj(this.getHelixData(c,1073741854));case 1666189314:return d.addXObj(this.getHelixData(c,1666189314));case 135266305:return d.addXFloat(this.getHelixData(c,135266305).floatValue());case 135176:case 1746538509:return d.addXObj(this.getHelixData(c,b));case 135266306:g=this.getHelixData(c,1073742001);if(null==g)break;return d.addXAS(g)}return!1},"JS.ScriptMathProcessor,~A");l(c$,"getHelixData",function(d,a){var b=d.nextSetBit(0);return 0>b?"null":this.vwr.ms.at[b].group.getHelixData(a,
this.vwr.getQuaternionFrame(),this.vwr.getInt(553648146))},"JU.BS,~N");l(c$,"evaluateFind",function(d,a){var b=d.getX(),c=7==b.tok,e=0==a.length,f=e?"":JS.SV.sValue(a[0]),g=1<a.length&&1048589!=a[1].tok&&1048588!=a[1].tok?JS.SV.sValue(a[1]):"",h=!c&&f.equalsIgnoreCase("SEQUENCE"),j=!c&&f.equalsIgnoreCase("SMILES"),k=!c&&f.equalsIgnoreCase("SMARTS"),q=!c&&f.equalsIgnoreCase("CHEMICAL"),m=!c&&f.equalsIgnoreCase("MF"),n=!c&&f.equalsIgnoreCase("CELLFORMULA"),p=!c&&1048589==a[a.length-1].tok;try{if(q){var l=
10==b.tok?this.vwr.getSmiles(JS.SV.getBitSet(b,!1)):JS.SV.sValue(b),l=0==l.length?"":this.vwr.getChemicalInfo(l,1<a.length?JS.T.getTokenFromName(g.toLowerCase()):null);l.endsWith("\n")&&(l=l.substring(0,l.length-1));l.startsWith("InChI")&&(l=JU.PT.rep(JU.PT.rep(l,"InChI=",""),"InChIKey=",""));return d.addXStr(l)}if(j||k||10==b.tok){var q=j||k?2:1,s=q<a.length&&10==a[q].tok?a[q++].value:null,r="bonds".equalsIgnoreCase(JS.SV.sValue(a[a.length-1])),q=r||p,l=null;switch(b.tok){case 4:var t=JS.SV.sValue(b);
if(null!=s)return!1;if(g.equalsIgnoreCase("mf"))l=this.vwr.getSmilesMatcher().getMolecularFormula(t,k);else{var v=4>a.length||!p;3<a.length&&(q=1048589==a[2].tok);l=this.e.getSmilesExt().getSmilesMatches(g,t,null,null,k,!q,v)}break;case 10:if(m&&0!=g.length)return d.addXBs(JU.JmolMolecule.getBitSetForMF(this.vwr.ms.at,b.value,g));if(m||n)return d.addXStr(JU.JmolMolecule.getMolecularFormula(this.vwr.ms.at,b.value,!1,m?null:this.vwr.ms.getCellWeights(b.value),p));if(h)return d.addXStr(this.vwr.getSmilesOpt(b.value,
-1,-1,256|(q?259:0)));if(j||k)f=g;if(r)var w=this.vwr.getSmilesMatcher().getCorrelationMaps(f,this.vwr.ms.at,this.vwr.ms.ac,b.value,(j?65536:131072)|4194304),l=0<w.length?this.vwr.ms.getDihedralMap(w[0]):C(0,0);else l=this.e.getSmilesExt().getSmilesMatches(f,null,b.value,s,!j,!q,!1)}null==l&&this.e.invArg();return d.addXObj(l)}}catch(x){if(y(x,Exception))this.e.evalError(x.getMessage(),null);else throw x;}j=0<=g.indexOf("v");n=0<=g.indexOf("i");g=0<=g.indexOf("m");k=2==a.length;if(c||k){p=this.getPatternMatcher();
h=m=null;k=c?b.getList():null;if(0<f.length)try{m=0==f.length?null:p.compile(f,n),h=JS.SV.strListValue(b)}catch(u){if(y(u,Exception))this.e.evalError(u.toString(),null);else throw u;}n=null==h?k.size():h.length;JU.Logger.debugging&&JU.Logger.debug("finding "+f);f=new JU.BS;p=0;r=null;s=g?new JU.Lst:null;t="";for(b=0;b<n;b++){if(null==m)switch(v=k.get(b),v.tok){case 6:v=v.getMap().isEmpty()!=e;break;case 7:v=0==v.getList().size()!=e;break;case 4:v=0==v.asString().length!=e;break;default:v=!0}else t=
h[b],r=m.matcher(t),v=r.find();if(g&&v||!g&&v==!j)p++,f.set(b),g&&s.addLast(j?t.substring(0,r.start())+t.substring(r.end()):r.group())}if(!c)return g?d.addXStr(1==s.size()?s.get(0):""):j?d.addXBool(1==p):g?d.addXStr(0==p?"":r.group()):d.addXInt(0==p?0:r.start()+1);if(g){c=Array(p);if(0<p)for(b=h.length;0<=--b;)f.get(b)&&(--p,c[p]=g?s.get(p):h[b]);return d.addXAS(c)}c=new JU.Lst;for(b=f.nextSetBit(0);0<=b;b=f.nextSetBit(b+1))c.addLast(k.get(b));return d.addXList(c)}return h?d.addXStr(this.vwr.getJBR().toStdAmino3(JS.SV.sValue(b))):
d.addXInt(JS.SV.sValue(b).indexOf(f)+1)},"JS.ScriptMathProcessor,~A");l(c$,"evaluateGetProperty",function(d,a,b,c){var e=0;if(b&&1!=a.length)return!1;var f=0==a.length?0:a[0].tok;if(2==a.length&&(7==f||6==f||14==f))return d.addXObj(this.vwr.extractProperty(a[0].value,a[1].value.toString(),-1));var f=0<a.length?JS.SV.sValue(a[e++]):"",g=f.toLowerCase();0>g.indexOf("[select ")&&(f=g);var h=!1;f.equals("json")&&a.length>e&&(h=!0,f=JS.SV.sValue(a[e++]));var j=null;if(c&&(j=d.getX(),10!=j.tok))return d.addXObj(this.vwr.extractProperty(j,
f,-1));c&&(!b&&!g.startsWith("bondinfo")&&!g.startsWith("atominfo"))&&(f="atomInfo."+f);g="";if(f.equalsIgnoreCase("fileContents")&&2<a.length){e=JS.SV.sValue(a[1]);for(g=2;g<a.length;g++)e+="|"+JS.SV.sValue(a[g]);g=e;e=a.length}else if(a.length>e)switch(a[e].tok){case 10:g=JS.SV.bsSelectVar(a[e++]);f.equalsIgnoreCase("bondInfo")&&(a.length>e&&10==a[e].tok)&&(g=u(-1,[g,JS.SV.bsSelectVar(a[e])]));break;case 6:case 4:this.vwr.checkPropertyParameter(f)&&(g=a[e++].value)}if(c){c=JS.SV.bsSelectVar(j);
if(0>c.nextSetBit(0))return d.addXStr("");g=c}b&&(f="auxiliaryInfo.models."+f);f=JU.PT.rep(f,".[","[");b=this.vwr.getProperty(null,f,null==j?g:j);e<a.length&&(b=this.vwr.extractProperty(b,a,e));return d.addXObj(h?"{"+JU.PT.toJSON("value",b)+"}":JS.SV.isVariableType(b)?b:JU.Escape.toReadable(f,b))},"JS.ScriptMathProcessor,~A,~B,~B");l(c$,"evaluateFormat",function(d,a,b,c){var e=2>b.length||1288701959==a?d.getX():null,f=0==b.length?"%U":7==b[0].tok?null:JS.SV.sValue(b[0]);if(0<b.length&&null!=e&&null!=
f){if(2==b.length)var e=e.getList(),g=b[1].getList(),e=JS.SV.getVariableList(this.getSublist(e,g));b=u(-1,[b[0],e]);e=null}if(null==e){a=c?-1:JS.SV.getFormatType(f);if(0<=a&&2!=b.length)return!1;if(0<=a||2>b.length||7!=b[1].tok)return b=JS.SV.format(b,a,!1),f.equalsIgnoreCase("json")?d.addXStr(b):d.addXObj(b);f=b[1].getList();b=u(-1,[b[0],null]);c=Array(f.size());for(e=c.length;0<=--e;)b[1]=f.get(e),c[e]=JS.SV.format(b,a,!0).toString();return d.addXAS(c)}if(7==e.tok&&null==f)return e=e.getList(),
g=b[0].getList(),f=this.getSublist(e,g),d.addXList(f);b=JS.SV.getBitSet(e,!0);a=JS.T.tokAttr(a,480);return d.addXObj(null==b?JS.SV.sprintf(JU.PT.formatCheck(f),e):this.e.getCmdExt().getBitsetIdent(b,f,e.value,!0,e.index,a))},"JS.ScriptMathProcessor,~N,~A,~B");l(c$,"getSublist",function(d,a){for(var b=new JU.Lst,c=0,e=d.size();c<e;c++){for(var f=new JU.Lst,g=d.get(c).getMap(),h=0,j=a.size();h<j;h++){var k=g.get(JS.SV.sValue(a.get(h)));f.addLast(null==k?JS.SV.newS(""):k)}b.addLast(JS.SV.getVariableList(f))}return b},
"JU.Lst,JU.Lst");l(c$,"evaluateList",function(d,a,b){var c=b.length,e=d.getX(),f=7==e.tok,g;switch(a){case 1276384259:return 2==c&&d.addX(e.pushPop(b[1],b[0]))||1==c&&d.addX(e.pushPop(b[0],null));case 1276383249:return 1==c&&d.addX(e.pushPop(null,b[0]))||0==c&&d.addX(e.pushPop(null,null));case 1276118017:if(1!=c&&2!=c)return!1;break;case 1276118021:case 1276118020:break;default:if(1!=c)return!1}var h=null,j=null,k=null;if(2==c){var l=JS.SV.sValue(b[0]);g=b[1];if(1276118017==a){h=f?JS.SV.strListValue(e):
JU.PT.split(JS.SV.sValue(e),"\n");j=7==g.tok?JS.SV.strListValue(g):JU.PT.split(JS.SV.sValue(g),"\n");k=Array(c=Math.max(h.length,j.length));for(e=0;e<c;e++)k[e]=(e>=h.length?"":h[e])+l+(e>=j.length?"":j[e]);return d.addXAS(k)}if(1048589!=g.tok)return!1;k=e.getList();(c=0==l.length)&&(l=",");if(1276118020==a){j=Array(k.size());for(e=k.size();0<=--e;)if(b=k.get(e).getList(),null==b)j[e]=k.get(e);else{a=new JU.SB;f=0;for(h=b.size();f<h;f++)0<f&&a.append(l),g=b.get(f),a.append(c&&4==g.tok?'"'+JU.PT.rep(g.value,
'"','""')+'"':""+g.asString());j[e]=JS.SV.newS(a.toString())}return d.addXAV(j)}a=new JU.Lst;c&&(l="\x00");j=C(2,0);e=0;for(g=k.size();e<g;e++){f=k.get(e).asString();if(c){j[1]=0;for(h=j[0]=0;;){b=JU.PT.getCSVString(f,j);if(null==b){if(-1==j[1]){f+=++e<g?"\n"+k.get(e).asString():'"';j[1]=h;continue}f=f.substring(0,h)+f.substring(h).$replace(",","\x00");break}f=f.substring(0,h)+f.substring(h,j[0]).$replace(",","\x00")+b+f.substring(j[1]);j[1]=h=j[0]+b.length}}for(var m=f.$plit(l),n=new JU.Lst,f=0,
h=m.length;f<h;f++){b=m[f];if(0>b.indexOf("."))try{n.addLast(JS.SV.newI(Integer.parseInt(b)));continue}catch(p){if(!y(p,Exception))throw p;}else try{n.addLast(JS.SV.getVariable(Float.$valueOf(Float.parseFloat(b))));continue}catch(s){if(!y(s,Exception))throw s;}n.addLast(JS.SV.newS(b))}a.addLast(JS.SV.getVariableList(n))}return d.addXObj(JS.SV.getVariableList(a))}g=0==c?JS.SV.newV(1048579,"all"):b[0];k=1048579==g.tok;if(!f&&4!=e.tok)return d.binaryOp(this.opTokenFor(a),e,g);var m=JS.SV.isScalar(e),
u=JS.SV.isScalar(g),r=n=null,l=e.getList(),z=g.getList();f?c=l.size():m?c=2147483647:(h=JU.PT.split(JS.SV.sValue(e),"\n"),n=t(c=h.length,0),JU.PT.parseFloatArrayData(h,n));if(k&&1276118020!=a){k=0;if(f)for(e=c;0<=--e;)k+=JS.SV.fValue(l.get(e));else if(!m)for(e=c;0<=--e;)k+=n[e];return d.addXFloat(k)}if(1276118020==a&&4==g.tok){a=new JU.SB;if(m)a.append(JS.SV.sValue(e));else{b=k?"":g.value.toString();for(e=0;e<c;e++)a.append(0<e?b:"").append(JS.SV.sValue(l.get(e)))}return d.addXStr(a.toString())}var v=
null;u?v=g:7==g.tok?c=Math.min(c,z.size()):(j=JU.PT.split(JS.SV.sValue(g),"\n"),r=t(j.length,0),JU.PT.parseFloatArrayData(j,r),c=Math.min(c,r.length));var w=this.opTokenFor(a),x=Array(c);if(f&&k)return k=new JU.Lst,d.addXList(this.addAllLists(e.getList(),k));b=m?e:null;for(var D,e=0;e<c;e++){D=u?v:7==g.tok?z.get(e):Float.isNaN(r[e])?JS.SV.getVariable(JS.SV.unescapePointOrBitsetAsVariable(j[e])):JS.SV.newV(3,Float.$valueOf(r[e]));m||(b=f?l.get(e):Float.isNaN(n[e])?JS.SV.getVariable(JS.SV.unescapePointOrBitsetAsVariable(h[e])):
JS.SV.newV(3,Float.$valueOf(n[e])));1276118020==a&&7!=b.tok&&(k=new JU.Lst,k.addLast(b),b=JS.SV.getVariableList(k));if(!d.binaryOp(w,b,D))return!1;x[e]=d.getX()}return d.addXAV(x)},"JS.ScriptMathProcessor,~N,~A");l(c$,"addAllLists",function(d,a){for(var b=d.size(),c=0;c<b;c++){var e=d.get(c);7==e.tok?this.addAllLists(e.getList(),a):a.addLast(e)}return a},"JU.Lst,JU.Lst");l(c$,"evaluateLoad",function(d,a,b){var c=-1,e=!1,f=this.vwr.async;switch(a.length){case 3:f=JS.SV.bValue(a[2]);case 2:c=2==a[1].tok?
a[1].asInt():-1,e=1048589==a[1].tok;case 1:a=JS.SV.sValue(a[0]);a=a.$replace("\\","/");break;default:return!1}if(e)return d.addXMap(this.vwr.fm.getFileAsMap(a));e=a.startsWith("?");if(this.vwr.isJS&&(e||f)){if(b&&e)return d.addXStr("");a=this.e.loadFileAsync("load()_",a,d.oPt,!0)}return d.addXStr(b?this.vwr.fm.getFilePath(a,!1,!1):this.vwr.getFileAsString4(a,c,!1,!1,!0,"script"))},"JS.ScriptMathProcessor,~A,~B");l(c$,"evaluateMath",function(d,a,b){if(135266318==b)return 1==a.length&&4==a[0].tok?d.addXStr(new java.util.Date+
"\t"+JS.SV.sValue(a[0])):d.addXInt((System.currentTimeMillis()&2147483647)-(0==a.length?0:a[0].asInt()));if(1!=a.length)return!1;if(135266826==b)return 2==a[0].tok?d.addXInt(Math.abs(a[0].asInt())):d.addXFloat(Math.abs(a[0].asFloat()));a=JS.SV.fValue(a[0]);switch(b){case 135266818:return d.addXFloat(180*Math.acos(a)/3.141592653589793);case 135266821:return d.addXFloat(Math.cos(3.141592653589793*a/180));case 135266820:return d.addXFloat(Math.sin(3.141592653589793*a/180));case 135266822:return d.addXFloat(Math.sqrt(a))}return!1},
"JS.ScriptMathProcessor,~A,~N");l(c$,"evaluateMeasure",function(d,a,b){var c=0;switch(b){case 1746538509:b=new JU.Lst;for(var e=t(-1,[3.4028235E38,3.4028235E38]),f=null,g=null,h=!1,j=!1,k=0,l=!1,m=null,n=0,p=3.4028235E38,s=!1,u=!1,m=0;m<a.length;m++)switch(a[m].tok){case 10:var r=a[m].value;0==r.length()&&(l=!0);b.addLast(r);c++;n++;break;case 8:r=new JU.Point3fi;r.setT(a[m].value);b.addLast(r);c++;break;case 2:case 3:e[k++%2]=JS.SV.fValue(a[m]);break;case 4:r=JS.SV.sValue(a[m]);r.equalsIgnoreCase("vdw")||
r.equalsIgnoreCase("vanderwaals")?p=(m+1<a.length&&2==a[m+1].tok?a[++m].asInt():100)/100:r.equalsIgnoreCase("notConnected")?j=!0:r.equalsIgnoreCase("connected")?h=!0:r.equalsIgnoreCase("minArray")?s=1<=n:r.equalsIgnoreCase("asArray")?u=1<=n:JU.PT.isOneOf(r.toLowerCase(),";nm;nanometers;pm;picometers;angstroms;ang;au;")||r.endsWith("hz")?g=r.toLowerCase():f=c+":"+r;break;default:return!1}if(2>c||4<c||2<k||j&&h)return!1;if(l||3.4028235E38!=p&&(2!=n||2!=c))return d.addXStr("");m=3.4028235E38==p?new J.atomdata.RadiusData(e,
0,null,null):new J.atomdata.RadiusData(null,p,J.atomdata.RadiusData.EnumType.FACTOR,J.c.VDW.AUTO);return d.addXObj(this.vwr.newMeasurementData(null,b).set(0,null,m,f,g,null,h,j,null,!0,0,0,null).getMeasurements(u,s));case 135266305:if(3!=(c=a.length)&&4!=c)return!1;break;default:if(2!=(c=a.length))return!1}b=Array(c);for(m=0;m<c;m++)if(null==(b[m]=d.ptValue(a[m])))return!1;switch(c){case 2:return d.addXFloat(b[0].distance(b[1]));case 3:return d.addXFloat(JU.Measure.computeAngleABC(b[0],b[1],b[2],
!0));case 4:return d.addXFloat(JU.Measure.computeTorsion(b[0],b[1],b[2],b[3],!0))}return!1},"JS.ScriptMathProcessor,~A,~N");l(c$,"evaluateModulation",function(d,a){var b="",c=NaN,e=null;switch(a.length){case 0:break;case 1:switch(a[0].tok){case 8:e=a[0].value;break;case 4:b=a[0].asString();break;default:c=JS.SV.fValue(a[0])}break;case 2:b=JS.SV.sValue(a[0]);c=JS.SV.fValue(a[1]);break;default:return!1}null==e&&1E6>c&&(e=JU.P3.new3(c,c,c));c=JS.SV.getBitSet(d.getX(),!1);return d.addXList(this.vwr.ms.getModulationList(c,
(b+"D").toUpperCase().charAt(0),e))},"JS.ScriptMathProcessor,~A");l(c$,"evaluatePlane",function(d,a,b){if(135267841==b&&3!=a.length||135267842==b&&2!=a.length&&3!=a.length||0==a.length||4<a.length)return!1;var c,e,f,g,h;switch(a.length){case 1:if(10==a[0].tok&&(b=JS.SV.getBitSet(a[0],!1),3==b.cardinality()))return a=this.vwr.ms.getAtomPointVector(b),d.addXPt4(JU.Measure.getPlaneThroughPoints(a.get(0),a.get(1),a.get(2),new JU.V3,new JU.V3,new JU.P4));a=JU.Escape.uP(JS.SV.sValue(a[0]));return s(a,JU.P4)?
d.addXPt4(a):d.addXStr(""+a);case 2:if(135267842==b){if(9!=a[1].tok)return!1;f=new JU.P3;b=new JU.V3;h=new JU.V3;g=a[1].value;if(9==a[0].tok)return a=JU.Measure.getIntersectionPP(a[0].value,g),null==a?d.addXStr(""):d.addXList(a);e=d.ptValue(a[0]);return null==e?d.addXStr(""):d.addXPt(JU.Measure.getIntersection(e,null,g,f,b,h))}case 3:case 4:switch(b){case 135267841:return d.addXPt4(this.e.getHklPlane(JU.P3.new3(JS.SV.fValue(a[0]),JS.SV.fValue(a[1]),JS.SV.fValue(a[2]))));case 135267842:c=d.ptValue(a[0]);
e=d.ptValue(a[1]);if(null==c||null==e)return d.addXStr("");e=JU.V3.newV(e);e.normalize();if(9==a[2].tok)return f=new JU.P3,b=new JU.V3,h=new JU.V3,c=JU.Measure.getIntersection(c,e,a[2].value,f,b,h),null==c?d.addXStr(""):d.addXPt(c);f=d.ptValue(a[2]);if(null==f)return d.addXStr("");a=new JU.V3;JU.Measure.projectOntoAxis(f,c,e,a);return d.addXPt(f)}switch(a[0].tok){case 2:case 3:if(3==a.length)return c=JS.SV.fValue(a[0]),f=JS.SV.fValue(a[1]),a=JS.SV.fValue(a[2]),b=JU.V3.new3(0,0,1),e=JU.P3.new3(0,1,
0),a=JU.Quat.newVA(e,a),a.getMatrix().rotate(b),e.set(0,0,1),a=JU.Quat.newVA(e,f),a.getMatrix().rotate(b),e.setT(b),e.scale(c),g=new JU.P4,JU.Measure.getPlaneThroughPoint(e,b,g),d.addXPt4(g);break;case 10:case 8:c=d.ptValue(a[0]);e=d.ptValue(a[1]);if(null==e)return!1;f=2<a.length&&(10==a[2].tok||8==a[2].tok)?d.ptValue(a[2]):null;b=JU.V3.newV(e);if(null==f)return g=new JU.P4,2==a.length||!a[2].asBoolean()?(f=JU.P3.newP(c),f.add(e),f.scale(0.5),b.sub(c),b.normalize()):1048589==a[2].tok?f=c:(b.sub(c),
f=new JU.P3,f.scaleAdd2(a[2].asFloat(),b,c)),JU.Measure.getPlaneThroughPoint(f,b,g),d.addXPt4(g);h=new JU.V3;a=4==a.length?d.ptValue(a[3]):null;a=JU.Measure.getDirectedNormalThroughPoints(c,e,f,a,b,h);return d.addXPt4(JU.P4.new4(b.x,b.y,b.z,a))}}if(4!=a.length)return!1;b=JS.SV.fValue(a[0]);e=JS.SV.fValue(a[1]);c=JS.SV.fValue(a[2]);a=JS.SV.fValue(a[3]);return d.addXPt4(JU.P4.new4(b,e,c,a))},"JS.ScriptMathProcessor,~A,~N");l(c$,"evaluatePoint",function(d,a){switch(a.length){default:return!1;case 1:if(3==
a[0].tok||2==a[0].tok)return d.addXInt(a[0].asInt());var b=JS.SV.sValue(a[0]);7==a[0].tok&&(b="{"+b+"}");b=JU.Escape.uP(b);return s(b,JU.P3)?d.addXPt(b):d.addXStr(""+b);case 2:b=JS.SV.ptValue(a[0]);if(null==b)return!1;1048588==a[1].tok?this.vwr.tm.unTransformPoint(b,b):this.vwr.tm.transformPt3f(b,b);return d.addXPt(b);case 3:return d.addXPt(JU.P3.new3(a[0].asFloat(),a[1].asFloat(),a[2].asFloat()));case 4:return d.addXPt4(JU.P4.new4(a[0].asFloat(),a[1].asFloat(),a[2].asFloat(),a[3].asFloat()))}},"JS.ScriptMathProcessor,~A");
l(c$,"evaluatePrompt",function(d,a){if(1!=a.length&&2!=a.length&&3!=a.length)return!1;var b=JS.SV.sValue(a[0]),c=1<a.length&&7==a[1].tok?JS.SV.strListValue(a[1]):null,e=null!=c||1==a.length||3==a.length&&a[2].asBoolean(),f=null!=c?null:2<=a.length?JS.SV.sValue(a[1]):"OK",b=""+this.vwr.prompt(b,f,c,e);return e&&null!=c?d.addXInt(Integer.parseInt(b)+1):d.addXStr(b)},"JS.ScriptMathProcessor,~A");l(c$,"evaluateQuaternion",function(d,a,b){var c=null,e=a.length,f=2147483647,g=!1;135270418==b&&(1<e&&(4==
a[e-1].tok&&a[e-1].value.equalsIgnoreCase("relative"))&&(e--,g=!0),1<e&&(2==a[e-1].tok&&10==a[0].tok)&&(f=a[e-1].asInt(),0>=f&&(f=2147483646),e--));switch(e){case 0:case 1:case 4:break;case 2:if(135270418==b){if(7==a[0].tok&&(7==a[1].tok||1048589==a[1].tok))break;if(10==a[0].tok&&(2==a[1].tok||10==a[1].tok))break}if(null==(c=d.ptValue(a[0]))||135270418!=b&&8==a[1].tok)return!1;break;case 3:if(135270418!=b)return!1;if(9==a[0].tok){if(8!=a[2].tok&&10!=a[2].tok)return!1;break}for(var h=0;3>h;h++)if(8!=
a[h].tok&&10!=a[h].tok)return!1;break;default:return!1}var j=h=null,k=null;switch(e){case 0:return d.addXPt4(this.vwr.tm.getRotationQ().toPoint4f());default:if(135270418==b&&7==a[0].tok){b=this.e.getQuaternionArray(a[0].getList(),1073742001);a=JU.Quat.sphereMean(b,null,1E-4);h=s(a,JU.Quat)?a:null;break}else if(135270418==b&&10==a[0].tok)j=this.vwr.getAtomGroupQuaternions(a[0].value,f);else if(11==a[0].tok)h=JU.Quat.newM(a[0].value);else if(9==a[0].tok)k=a[0].value;else if(k=JS.SV.sValue(a[0]),k=JU.Escape.uP(k.equalsIgnoreCase("best")?
this.vwr.getOrientationText(1073741863,null):k),!s(k,JU.P4))return!1;135266307==b&&(h=JU.Quat.newVA(JU.P3.new3(k.x,k.y,k.z),k.w));break;case 2:if(135270418==b){if(7==a[0].tok&&7==a[1].tok){b=this.e.getQuaternionArray(a[0].getList(),1073742001);j=this.e.getQuaternionArray(a[1].getList(),1073742001);j=JU.Quat.div(j,b,f,g);break}if(7==a[0].tok&&1048589==a[1].tok)return b=this.e.getQuaternionArray(a[0].getList(),1073742001),f=t(1,0),JU.Quat.sphereMean(b,f,1E-4),d.addXFloat(f[0]);if(10==a[0].tok&&10==
a[1].tok){b=this.vwr.getAtomGroupQuaternions(a[0].value,2147483647);j=this.vwr.getAtomGroupQuaternions(a[1].value,2147483647);j=JU.Quat.div(j,b,f,g);break}}h=d.ptValue(a[1]);k=d.planeValue(a[0]);h=null!=h?JU.Quat.getQuaternionFrame(JU.P3.new3(0,0,0),c,h):JU.Quat.newVA(c,JS.SV.fValue(a[1]));break;case 3:if(9==a[0].tok)return f=8==a[2].tok?a[2].value:this.vwr.ms.getAtomSetCenter(a[2].value),d.addXStr(JU.Escape.drawQuat(JU.Quat.newP4(a[0].value),"q",JS.SV.sValue(a[1]),f,1));b=Array(3);for(h=0;3>h;h++)b[h]=
8==a[h].tok?a[h].value:this.vwr.ms.getAtomSetCenter(a[h].value);h=JU.Quat.getQuaternionFrame(b[0],b[1],b[2]);break;case 4:135270418==b?k=JU.P4.new4(JS.SV.fValue(a[1]),JS.SV.fValue(a[2]),JS.SV.fValue(a[3]),JS.SV.fValue(a[0])):h=JU.Quat.newVA(JU.P3.new3(JS.SV.fValue(a[0]),JS.SV.fValue(a[1]),JS.SV.fValue(a[2])),JS.SV.fValue(a[3]))}if(null!=j){if(2147483647!=f){f=new JU.Lst;for(h=0;h<j.length;h++)f.addLast(j[h].toPoint4f());return d.addXList(f)}h=0<j.length?j[0]:null}return d.addXPt4((null==h?JU.Quat.newP4(k):
h).toPoint4f())},"JS.ScriptMathProcessor,~A,~N");l(c$,"evaluateRandom",function(d,a){if(3<a.length)return!1;null==this.rand&&(this.rand=new java.util.Random);var b=0,c=1;switch(a.length){case 3:this.rand.setSeed(z(JS.SV.fValue(a[2])));case 2:c=JS.SV.fValue(a[1]);case 1:b=JS.SV.fValue(a[0]);case 0:break;default:return!1}return d.addXFloat(this.rand.nextFloat()*(c-b)+b)},"JS.ScriptMathProcessor,~A");l(c$,"evaluateRowCol",function(d,a,b){if(1!=a.length)return!1;a=a[0].asInt()-1;var c=d.getX();switch(c.tok){case 11:if(0>
a||2<a)break;c=c.value;switch(b){case 1276117515:return b=t(3,0),c.getRow(a,b),d.addXAF(b);default:return b=t(3,0),c.getColumn(a,b),d.addXAF(b)}case 12:if(0>a||2<a)break;c=c.value;switch(b){case 1276117515:return b=t(4,0),c.getRow(a,b),d.addXAF(b);default:return b=t(4,0),c.getColumn(a,b),d.addXAF(b)}case 7:b=c.getList();for(var c=new JU.Lst,e=0,f=b.size();e<f;e++){var g=b.get(e).getList();if(null==g)return d.addXStr("");c.addLast(a<g.size()?g.get(a):JS.SV.newS(""))}return d.addXList(c)}return!1},
"JS.ScriptMathProcessor,~A,~N");l(c$,"evaluateIn",function(d,a){var b=d.getX();switch(a.length){case 1:var c=a[0].getList();if(null!=c)for(var e=0,f=c.size();e<f;e++)if(JS.SV.areEqual(b,c.get(e)))return d.addXInt(e+1);break;default:for(e=0;e<a.length;e++)if(JS.SV.areEqual(b,a[e]))return d.addXInt(e+1)}return d.addXInt(0)},"JS.ScriptMathProcessor,~A");l(c$,"evaluateReplace",function(d,a){var b=!1,c,e;switch(a.length){case 0:b=!0;c=e=null;break;case 3:b=JS.SV.bValue(a[2]);case 2:c=JS.SV.sValue(a[0]);
e=JS.SV.sValue(a[1]);break;default:return!1}var f=d.getX();if(7==f.tok){for(var f=JS.SV.strListValue(f),g=Array(f.length),h=f.length;0<=--h;)g[h]=null==c?JU.PT.clean(f[h]):b?JU.PT.replaceAllCharacters(f[h],c,e):JU.PT.rep(f[h],c,e);return d.addXAS(g)}f=JS.SV.sValue(f);return d.addXStr(null==c?JU.PT.clean(f):b?JU.PT.replaceAllCharacters(f,c,e):JU.PT.rep(f,c,e))},"JS.ScriptMathProcessor,~A");l(c$,"evaluateScript",function(d,a,b){if((135266829==b||135270926==b||135287308==b)&&1!=a.length||0==a.length||
2<a.length)return!1;var c=JS.SV.sValue(a[0]),e=new JU.SB;switch(b){case 135266829:return d.addXObj(this.vwr.evaluateExpressionAsVariable(c));case 135271429:a=2==a.length?JS.SV.sValue(a[1]):".";a.equals(".")||e.append(this.vwr.jsEval(a+"\u0001"+c));(a.equals(".")||a.equals("*"))&&this.e.runScriptBuffer(c,e);break;case 135270926:this.e.runScriptBuffer("show "+c,e);break;case 135287308:e.append(this.vwr.jsEval(c))}var c=e.toString(),f;return Float.isNaN(f=JU.PT.parseFloatStrict(c))?d.addXStr(c):0<=c.indexOf(".")?
d.addXFloat(f):d.addXInt(JU.PT.parseInt(c))},"JS.ScriptMathProcessor,~A,~N");l(c$,"evaluateSort",function(d,a,b){if(1<a.length)return!1;if(1276117011==b){var c=0==a.length?0:a[0].asInt();return d.addX(d.getX().sortOrReverse(c))}b=d.getX();a=0==a.length?null:a[0];if(4==b.tok){var c=0,e=JS.SV.sValue(b);if(null==a)return d.addXInt(0);a=JS.SV.sValue(a);for(b=0;b<e.length;b++){b=e.indexOf(a,b);if(0>b)break;c++}return d.addXInt(c)}var c=new JU.Lst,f=e=null,g=JS.SV.getVariable(b.value).sortOrReverse(0).getList();
if(null==g)return null==a?d.addXStr(""):d.addXInt(0);b=0;for(var h=g.size();b<=h;b++){var j=b==h?null:g.get(b);if(!(null!=a&&null!=j&&!JS.SV.areEqual(j,a)))if(JS.SV.areEqual(j,e))f.intValue++;else{if(null!=e){var k=new JU.Lst;k.addLast(e);k.addLast(f);c.addLast(JS.SV.getVariableList(k))}f=JS.SV.newI(1);e=j}}return null==a?d.addX(JS.SV.getVariableList(c)):c.isEmpty()?d.addXInt(0):d.addX(c.get(0).getList().get(1))},"JS.ScriptMathProcessor,~A,~N");l(c$,"evaluateString",function(d,a,b){var c=d.getX(),
e=0<b.length?JS.SV.sValue(b[0]):1276117512==a?"":"\n";switch(b.length){case 0:case 1:break;case 2:if(7==c.tok)break;if(1276118021==a){c=JS.SV.getVariable(JU.PT.split(JU.PT.rep(c.value,"\n\r","\n").$replace("\r","\n"),"\n"));break}default:return!1}if(7==c.tok&&1276117512!=a&&(1276118021!=a||2==b.length))return d.addX(c),this.evaluateList(d,a,b);b=1276118021==a&&10==c.tok||1276117512==a&&7==c.tok?null:JS.SV.sValue(c);switch(a){case 1276118021:if(10==c.tok){var c=JS.SV.bsSelectVar(c),e="\n",f=this.vwr.ms.mc;
b="";for(a=0;a<f;a++){b+=0==a?"":"\n";var g=this.vwr.getModelUndeletedAtomsBitSet(a);g.and(c);b+=JU.Escape.eBS(g)}}return d.addXAS(JU.PT.split(b,e));case 1276118020:return 0<b.length&&"\n"==b.charAt(b.length-1)&&(b=b.substring(0,b.length-1)),d.addXStr(JU.PT.rep(b,"\n",e));case 1276117512:if(null!=b)return d.addXStr(JU.PT.trim(b,e));b=JS.SV.strListValue(c);for(a=b.length;0<=--a;)b[a]=JU.PT.trim(b[a],e);return d.addXAS(b)}return d.addXStr("")},"JS.ScriptMathProcessor,~N,~A");l(c$,"evaluateSubstructure",
function(d,a,b){if(0==a.length)return!1;var c=new JU.BS,e=JS.SV.sValue(a[0]);if(0<e.length)try{var f=2==a.length&&10==a[1].tok?JS.SV.bsSelectVar(a[1]):null,c=this.vwr.getSmilesMatcher().getSubstructureSet(e,this.vwr.ms.at,this.vwr.ms.ac,f,135267336==b?65536:131072)}catch(g){if(y(g,Exception))this.e.evalError(g.getMessage(),null);else throw g;}return d.addXBs(c)},"JS.ScriptMathProcessor,~A,~N");l(c$,"evaluateSymop",function(d,a,b){if(0==a.length)return!1;b=b?d.getX():null;if(null!=b&&10!=b.tok)return!1;
b=null!=b?b.value:2<a.length&&10==a[1].tok?a[1].value:this.vwr.getAllAtoms();var c;switch(a[0].tok){case 4:c=JS.SV.sValue(a[0]);break;case 12:c=a[0].escape();break;default:c=null}var e=null==c?a[0].asInt():0,f=1<a.length?d.ptValue(a[1]):null;if(2==a.length&&null!=f)return d.addXObj(this.vwr.ms.getSymTemp(!1).getSymmetryInfoAtom(this.vwr.ms,b,c,e,f,null,null,135266320));a=(1==a.length?"matrix":JS.SV.sValue(a[a.length-1])).toLowerCase();var g=135176;a.equalsIgnoreCase("matrix")?g=12:a.equalsIgnoreCase("array")||
a.equalsIgnoreCase("list")?g=1073742001:a.equalsIgnoreCase("description")?g=1826248716:a.equalsIgnoreCase("xyz")?g=1073741982:a.equalsIgnoreCase("translation")?g=1073742178:a.equalsIgnoreCase("axis")?g=1073741854:a.equalsIgnoreCase("plane")?g=135266319:a.equalsIgnoreCase("angle")?g=135266305:a.equalsIgnoreCase("axispoint")?g=135266320:a.equalsIgnoreCase("center")&&(g=12289);return d.addXObj(this.vwr.ms.getSymTemp(!1).getSymmetryInfoAtom(this.vwr.ms,b,c,e,f,null,a,g))},"JS.ScriptMathProcessor,~A,~B");
l(c$,"evaluateTensor",function(d,a){if(2<a.length)return!1;var b=JS.SV.getBitSet(d.getX(),!1),c=0==a.length?null:JS.SV.sValue(a[0]).toLowerCase(),e=this.vwr.getNMRCalculation();if("unique".equals(c))return d.addXBs(e.getUniqueTensorSet(b));var f=2>a.length?null:JS.SV.sValue(a[1]).toLowerCase();return d.addXList(e.getTensorInfo(c,f,b))},"JS.ScriptMathProcessor,~A");l(c$,"evaluateUserFunction",function(d,a,b,c,e){var f=null;if(e)switch(f=d.getX(),f.tok){case 10:break;case 6:if(0<b.length)return!1;f=
f.getMap().get(a);return null==f?d.addXStr(""):d.addX(f);default:return!1}a=a.toLowerCase();d.wasX=!1;for(var g=new JU.Lst,h=0;h<b.length;h++)g.addLast(b[h]);if(e)return d.addXObj(this.e.getBitsetProperty(JS.SV.bsSelectVar(f),c,null,null,f.value,u(-1,[a,g]),!1,f.index,!1));a=this.e.getUserFunctionResult(a,g,null);return null==a?!1:d.addX(a)},"JS.ScriptMathProcessor,~S,~A,~N,~B");l(c$,"evaluateWithin",function(d,a){if(1>a.length||5<a.length)return!1;var b=a.length,c=0,e=a[0].value,f=""+e,g=a[0].tok;
4==g&&(g=JS.T.getTokFromName(f));var h=1649412120==g;h&&(c=100,e=null);var j=this.vwr.ms,k=!1,l=!1,m=!1,n=h||3==g||2==g,p=null;switch(g){case 1048580:return 3==b&&s(a[1].value,JU.BS)&&s(a[2].value,JU.BS)&&d.addXBs(this.vwr.getBranchBitSet(a[2].value.nextSetBit(0),a[1].value.nextSetBit(0),!0));case 135267336:case 1238369286:case 135267335:c=null;f=!0;switch(b){case 2:break;case 3:if(f=10==a[2].tok)c=a[2].value;break;default:f=!1}f||this.e.invArg();return d.addXObj(this.e.getSmilesExt().getSmilesMatches(JS.SV.sValue(a[1]),
null,c,null,135267335==g,d.asBitSet,!1))}if(s(e,String)){if(0==g){g=1048614;if(2<b)return!1;b=2}}else if(n){h||(c=JS.SV.fValue(a[0]));if(2>b)return!1;switch(g=a[1].tok){case 1048589:case 1048588:k=a[1].asBoolean();b=0;2<a.length&&JS.SV.sValue(a[2]).equalsIgnoreCase("unitcell")&&(g=1614417948);break;case 4:g=JS.SV.sValue(a[1]);if(g.startsWith("$"))return d.addXBs(this.getAtomsNearSurface(c,g.substring(1)));l=g.equalsIgnoreCase("group");h=!l&&g.equalsIgnoreCase("vanderwaals");m=!l&&g.equalsIgnoreCase("unitcell");
g=h?1649412120:m?1614417948:1087373318}}else return!1;m=e=null;switch(b){case 1:switch(g){case 137363467:case 3145760:case 1679429641:return d.addXBs(j.getAtoms(g,null));case 1073741864:return d.addXBs(j.getAtoms(g,""));case 1048614:return d.addXBs(j.getAtoms(1087373320,f))}return!1;case 2:switch(g){case 1048614:g=1087373320;break;case 1087375362:case 1087375361:case 1073741864:case 1087373320:case 1073741916:case 1073742128:case 1073741925:case 1073742189:return d.addXBs(this.vwr.ms.getAtoms(g,JS.SV.sValue(a[a.length-
1])))}break;case 3:switch(g){case 1048589:case 1048588:case 1087373318:case 1649412120:case 1614417948:case 135266319:case 135267841:case 1048581:break;case 1087373320:f=JS.SV.sValue(a[2]);break;default:return!1}}b=a.length-1;s(a[b].value,JU.P4)?m=a[b].value:s(a[b].value,JU.P3)&&(e=a[b].value,JS.SV.sValue(a[1]).equalsIgnoreCase("hkl")&&(m=this.e.getHklPlane(e)));if(0<b&&null==m&&null==e&&!s(a[b].value,JU.BS))return!1;if(null!=m)return d.addXBs(j.getAtomsNearPlane(c,m));b=10==a[b].tok?JS.SV.bsSelectVar(a[b]):
null;if(1614417948==g)return d.addXObj(this.vwr.ms.getUnitCellPointsWithin(c,b,e,k));if(null!=e)return d.addXBs(this.vwr.getAtomsNearPt(c,e));if(1087373320==g)return d.addXBs(this.vwr.ms.getSequenceBits(f,b));null==b&&(b=new JU.BS);if(!n)return d.addXBs(this.vwr.ms.getAtoms(g,b));if(l)return d.addXBs(this.vwr.getGroupsWithin(z(c),b));h&&(p=new J.atomdata.RadiusData(null,10<c?c/100:c,10<c?J.atomdata.RadiusData.EnumType.FACTOR:J.atomdata.RadiusData.EnumType.OFFSET,J.c.VDW.AUTO));return d.addXBs(this.vwr.ms.getAtomsWithinRadius(c,
b,k,p))},"JS.ScriptMathProcessor,~A");l(c$,"evaluateWrite",function(d,a){switch(a.length){case 0:return!1;case 1:if(!a[0].asString().toUpperCase().equals("PNGJ"))break;return d.addXMap(this.vwr.fm.getFileAsMap(null))}return d.addXStr(this.e.getCmdExt().dispatch(135270422,!0,a))},"JS.ScriptMathProcessor,~A");l(c$,"getAtomsNearSurface",function(d,a){var b=u(-1,[a,null,null]);if(this.e.getShapePropertyData(24,"getVertices",b))return this.getAtomsNearPts(d,b[1],b[2]);b[1]=Integer.$valueOf(0);b[2]=Integer.$valueOf(-1);
return this.e.getShapePropertyData(22,"getCenter",b)?this.vwr.getAtomsNearPt(d,b[2]):new JU.BS},"~N,~S");l(c$,"getAtomsNearPts",function(d,a,b){var c=new JU.BS;if(0==a.length||null!=b&&0==b.cardinality())return c;null==b&&(b=JU.BSUtil.setAll(a.length));for(var e=this.vwr.ms.at,f=this.vwr.ms.ac;0<=--f;)for(var g=e[f],h=b.nextSetBit(0);0<=h;h=b.nextSetBit(h+1))if(g.distance(a[h])<d){c.set(f);break}return c},"~N,~A,JU.BS");l(c$,"getMinMax",function(d,a){for(var b=null,c=null,e=0,f=null;;){if(JU.AU.isAF(d)){if(b=
d,e=b.length,0==e)break}else if(s(d,JU.Lst)){c=d;e=c.size();if(0==e)break;var g=c.get(0);if(4==g.tok&&g.value.startsWith("{")){b=JS.SV.ptValue(g);if(s(b,JU.P3))return this.getMinMaxPoint(c,a);if(s(b,JU.P4))return this.getMinMaxQuaternion(c,a);break}}else break;var h,j=!1;switch(a){case 1141899283:f=new java.util.Hashtable;g=h=0;break;case 32:j=!0;g=3.4028235E38;h=2147483647;break;case 64:g=-3.4028235E38;h=-2147483647;break;default:g=h=0}for(var k=0,l=0,m=!0,n=1141899283==a;0<=--e;){var p=c.get(e),
t=n?1:null==b?JS.SV.fValue(p):b[e];if(!Float.isNaN(t))switch(l++,a){case 160:case 192:k+=t*t;case 128:case 96:g+=t;break;case 1141899283:m=(new Boolean(m&2==p.tok)).valueOf();p=p.asString();t=f.get(p);f.put(p,null==t?new Integer(1):new Integer(t.intValue()+1));break;case 32:case 64:m=(new Boolean(m&2==p.tok)).valueOf(),j==t<g&&(g=t,m&&(h=p.intValue))}}if(1141899283==a)return f;if(0==l)break;switch(a){case 96:g/=l;break;case 192:if(1==l)break;g=Math.sqrt((k-g*g/l)/(l-1));break;case 32:case 64:if(m)return Integer.$valueOf(h);
break;case 160:g=k}return Float.$valueOf(g)}return"NaN"},"~O,~N");l(c$,"getMinMaxPoint",function(d,a){var b=null,c=null,e=0;s(d,Array)?(b=d,e=b.length):s(d,JU.Lst)&&(c=d,e=c.size());if(null!=c||null!=b){for(var f=new JU.P3,g=t(e,0),h=!0,j=0;3>j&&h;j++){for(var k=0;k<e;k++){var l=null==b?JS.SV.ptValue(c.get(k)):b[k];if(null==l){h=!1;break}switch(j){case 0:g[k]=l.x;break;case 1:g[k]=l.y;break;case 2:g[k]=l.z}}if(!h)break;k=this.getMinMax(g,a);if(s(k,Number))switch(k=k.floatValue(),j){case 0:f.x=k;break;
case 1:f.y=k;break;case 2:f.z=k}else break}return f}return"NaN"},"~O,~N");l(c$,"getMinMaxQuaternion",function(d,a){var b;switch(a){case 32:case 64:case 128:case 160:return"NaN"}for(;;){b=this.e.getQuaternionArray(d,1073742001);if(null==b)break;var c=t(1,0);b=JU.Quat.sphereMean(b,c,1E-4);switch(a){case 96:return b;case 192:return Float.$valueOf(c[0])}break}return"NaN"},"JU.Lst,~N");l(c$,"getPatternMatcher",function(){return null==this.pm?this.pm=J.api.Interface.getUtil("PatternMatcher",this.e.vwr,
"script"):this.pm});l(c$,"opTokenFor",function(d){switch(d){case 1276118017:case 1276118020:return JS.T.tokenPlus;case 1276117511:return JS.T.tokenMinus;case 1276117507:return JS.T.tokenTimes;case 1276117508:return JS.T.tokenMul3;case 1276117504:return JS.T.tokenDivide}return null},"~N");l(c$,"setContactBitSets",function(d,a,b,c,e,f){var g,h;null==a?(a=JU.BSUtil.setAll(this.vwr.ms.ac),JU.BSUtil.andNot(a,this.vwr.slm.bsDeleted),a.andNot(d),g=!1):(h=JU.BSUtil.copy(d),h.or(a),h=this.vwr.ms.getModelBS(h,
!1).cardinality(),g=1<h,f&&(1<h&&!this.e.tQuiet)&&this.e.showString(J.i18n.GT._("Note: More than one model is involved in this contact!")));if(!d.equals(a)){if(f=!b||d.cardinality()<a.cardinality())h=this.vwr.ms.getAtomsWithinRadius(c,d,g,Float.isNaN(c)?e:null),a.and(h);b&&(h=this.vwr.ms.getAtomsWithinRadius(c,a,g,Float.isNaN(c)?e:null),d.and(h),f||(h=this.vwr.ms.getAtomsWithinRadius(c,d,g,Float.isNaN(c)?e:null),a.and(h)),h=JU.BSUtil.copy(a),h.and(d),h.equals(d)?a.andNot(d):h.equals(a)&&d.andNot(a))}return a},
"JU.BS,JU.BS,~B,~N,J.atomdata.RadiusData,~B")})})(Clazz,Clazz.newLongArray,Clazz.doubleToByte,Clazz.doubleToInt,Clazz.doubleToLong,Clazz.declarePackage,Clazz.instanceOf,Clazz.load,Clazz.instantialize,Clazz.decorateAsClass,Clazz.floatToInt,Clazz.floatToLong,Clazz.makeConstructor,Clazz.defineEnumConstant,Clazz.exceptionOf,Clazz.newIntArray,Clazz.defineStatics,Clazz.newFloatArray,Clazz.declareType,Clazz.prepareFields,Clazz.superConstructor,Clazz.newByteArray,Clazz.declareInterface,Clazz.p0p,Clazz.pu$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);
