Clazz.declarePackage("JM");
Clazz.load(["JM.Model"], "JM.BioModel", ["java.util.Hashtable", "JU.AU", "$.BS", "$.Lst", "$.SB", "J.api.Interface", "JU.Escape"], function(){
var c$ = Clazz.decorateAsClass(function(){
this.vwr = null;
this.bioPolymerCount = 0;
this.bioPolymers = null;
this.isMutated = false;
this.defaultStructure = null;
Clazz.instantialize(this, arguments);}, JM, "BioModel", JM.Model);
Clazz.defineMethod(c$, "setBioModel", 
function(modelSet, modelIndex, trajectoryBaseIndex, jmolData, properties, auxiliaryInfo){
this.setupArrays();
this.vwr = modelSet.vwr;
this.set(modelSet, modelIndex, trajectoryBaseIndex, jmolData, properties, auxiliaryInfo);
this.isBioModel = true;
this.vwr.getJBR().getBioModelSet(modelSet);
this.clearBioPolymers();
modelSet.am[modelIndex] = this;
this.pdbID = auxiliaryInfo.get("name");
return this;
}, "JM.ModelSet,~N,~N,~S,java.util.Properties,java.util.Map");
Clazz.defineMethod(c$, "addBioPolymer", 
function(polymer){
if (this.bioPolymers.length == 0) this.clearBioPolymers();
if (this.bioPolymerCount == this.bioPolymers.length) this.bioPolymers = JU.AU.doubleLength(this.bioPolymers);
polymer.bioPolymerIndexInModel = this.bioPolymerCount;
this.bioPolymers[this.bioPolymerCount++] = polymer;
return polymer.monomerCount;
}, "JM.BioPolymer");
Clazz.defineMethod(c$, "addSecondaryStructure", 
function(type, structureID, serialID, strandCount, startChainID, startSeqcode, endChainID, endSeqcode, istart, iend, bsAssigned){
for (var i = this.bioPolymerCount; --i >= 0; ) if (Clazz.instanceOf(this.bioPolymers[i],"JM.AlphaPolymer")) (this.bioPolymers[i]).addStructure(type, structureID, serialID, strandCount, startChainID, startSeqcode, endChainID, endSeqcode, istart, iend, bsAssigned);

}, "J.c.STR,~S,~S,~N,~N,~N,~N,~N,~N,~N,JU.BS");
Clazz.defineMethod(c$, "addStructureByBS", 
function(count, dsspType, type, bs){
for (var i = this.bioPolymerCount; --i >= 0; ) {
var b = this.bioPolymers[i];
if (Clazz.instanceOf(b,"JM.AlphaPolymer")) count = (this.bioPolymers[i]).setStructureBS(++count, dsspType, type, bs, true);
}
}, "~N,~N,J.c.STR,JU.BS");
Clazz.defineMethod(c$, "calculateDssx", 
function(vHBonds, doReport, dsspIgnoreHydrogen, setStructure, version){
var haveProt = false;
var haveNucl = false;
for (var i = 0; i < this.bioPolymerCount && !(haveProt && haveNucl); i++) {
if (this.bioPolymers[i].isNucleic()) haveNucl = true;
 else if (Clazz.instanceOf(this.bioPolymers[i],"JM.AminoPolymer")) haveProt = true;
}
var s = "";
if (haveProt) s += (J.api.Interface.getOption("dssx.DSSP", this.vwr, "ms")).calculateDssp(this.bioPolymers, this.bioPolymerCount, vHBonds, doReport, dsspIgnoreHydrogen, setStructure, version);
if (haveNucl && this.auxiliaryInfo.containsKey("dssr") && vHBonds != null) s += this.vwr.getAnnotationParser(true).getHBonds(this.ms, this.modelIndex, vHBonds, doReport);
return s;
}, "JU.Lst,~B,~B,~B,~N");
Clazz.defineMethod(c$, "calculateStructures", 
function(asDSSP, doReport, dsspIgnoreHydrogen, setStructure, includeAlpha, version){
if (this.bioPolymerCount == 0 || !setStructure && !asDSSP) return "";
this.ms.proteinStructureTainted = this.structureTainted = true;
if (setStructure) for (var i = this.bioPolymerCount; --i >= 0; ) if (!asDSSP || this.bioPolymers[i].monomers[0].getNitrogenAtom() != null) this.bioPolymers[i].clearStructures();

if (!asDSSP || includeAlpha) for (var i = this.bioPolymerCount; --i >= 0; ) if (Clazz.instanceOf(this.bioPolymers[i],"JM.AlphaPolymer")) (this.bioPolymers[i]).calculateStructures(includeAlpha);

return (asDSSP ? this.calculateDssx(null, doReport, dsspIgnoreHydrogen, setStructure, version) : "");
}, "~B,~B,~B,~B,~B,~N");
Clazz.defineMethod(c$, "clearBioPolymers", 
function(){
this.bioPolymers =  new Array(8);
this.bioPolymerCount = 0;
});
Clazz.overrideMethod(c$, "fixIndices", 
function(modelIndex, nAtomsDeleted, bsDeleted){
this.fixIndicesM(modelIndex, nAtomsDeleted, bsDeleted);
this.recalculateLeadMidpointsAndWingVectors();
}, "~N,~N,JU.BS");
Clazz.overrideMethod(c$, "freeze", 
function(){
this.freezeM();
this.bioPolymers = JU.AU.arrayCopyObject(this.bioPolymers, this.bioPolymerCount);
return true;
});
Clazz.defineMethod(c$, "getBioBranches", 
function(biobranches){
var bsBranch;
for (var j = 0; j < this.bioPolymerCount; j++) {
bsBranch =  new JU.BS();
this.bioPolymers[j].getRange(bsBranch, this.isMutated);
var iAtom = bsBranch.nextSetBit(0);
if (iAtom >= 0) {
if (biobranches == null) biobranches =  new JU.Lst();
biobranches.addLast(bsBranch);
}}
return biobranches;
}, "JU.Lst");
Clazz.defineMethod(c$, "getBioPolymerCount", 
function(){
return this.bioPolymerCount;
});
Clazz.defineMethod(c$, "getCachedAnnotationMap", 
function(key, ann){
var cache = (this.dssrCache == null && ann != null ? this.dssrCache =  new java.util.Hashtable() : this.dssrCache);
if (cache == null) return null;
var annotv = cache.get(key);
if (annotv == null && ann != null) {
annotv = (Clazz.instanceOf(ann,"JS.SV") || Clazz.instanceOf(ann,"java.util.Hashtable") ? ann : this.vwr.parseJSONMap(ann));
cache.put(key, annotv);
}return (Clazz.instanceOf(annotv,"JS.SV") || Clazz.instanceOf(annotv,"java.util.Hashtable") ? annotv : null);
}, "~S,~O");
Clazz.defineMethod(c$, "getConformation", 
function(conformationIndex0, doSet, bsAtoms, bsRet){
var isConfig0 = (conformationIndex0 == 0);
if (this.altLocCount == 0) {
if (isConfig0) bsRet.or(bsAtoms);
return;
}var isFirst = (conformationIndex0 <= 0);
var atoms = this.ms.at;
var isSpace = (conformationIndex0 == -32);
var thisAltLoc = (isFirst && !isSpace ? String.fromCharCode(-conformationIndex0) : '\0');
if (isFirst) {
var lastChain = -2147483648;
var lastIns = '\u0000';
var lastRes = -2147483648;
var map =  new java.util.Hashtable();
for (var i = bsAtoms.nextSetBit(0); i >= 0; i = bsAtoms.nextSetBit(i + 1)) {
var atom = atoms[i];
var chain = atom.getChainID();
var res = atom.getResno();
var ins = atom.getInsertionCode();
if (res != lastRes || ins != lastIns || chain != lastChain) {
lastChain = chain;
lastRes = res;
lastIns = ins;
map.clear();
}var name = atom.getAtomName();
var locs = map.get(name);
if (locs == null) map.put(name, locs =  Clazz.newIntArray (1, 0));
var i0 = locs[0] - 1;
if (i0 < 0) {
if (i0 == -2) {
bsAtoms.clear(i);
continue;
}if (isSpace) {
if (atom.altloc != '\0') {
bsAtoms.clear(i);
}} else {
locs[0] = i + 1;
}continue;
}if (isConfig0) {
bsAtoms.clear(i);
locs[0] = -1;
} else if (atom.altloc == thisAltLoc) {
locs[0] = -1;
} else {
i0 = i;
}bsAtoms.clear(i0);
}
} else {
conformationIndex0--;
var g = null;
var ch = '\u0000';
var conformationIndex = conformationIndex0;
var bsFound =  new JU.BS();
for (var i = bsAtoms.nextSetBit(0); i >= 0; i = bsAtoms.nextSetBit(i + 1)) {
var atom = atoms[i];
var altloc = atom.altloc;
if (altloc == '\0') continue;
if (atom.group !== g) {
g = atom.group;
ch = '\0';
conformationIndex = conformationIndex0;
bsFound.clearAll();
}if (conformationIndex >= 0 && altloc != ch && !bsFound.get(altloc.charCodeAt(0))) {
ch = altloc;
conformationIndex--;
bsFound.set(altloc.charCodeAt(0));
}if (conformationIndex >= 0 || altloc != ch) bsAtoms.clear(i);
}
}if (bsAtoms.nextSetBit(0) >= 0) {
bsRet.or(bsAtoms);
if (doSet) for (var j = this.bioPolymerCount; --j >= 0; ) this.bioPolymers[j].setConformation(bsAtoms);

}}, "~N,~B,JU.BS,JU.BS");
Clazz.defineMethod(c$, "getDefaultLargePDBRendering", 
function(sb, maxAtoms){
var bs =  new JU.BS();
if (this.getBondCount() == 0) bs = this.bsAtoms;
if (bs !== this.bsAtoms) for (var i = 0; i < this.bioPolymerCount; i++) this.bioPolymers[i].getRange(bs, this.isMutated);

if (bs.nextSetBit(0) < 0) return;
var bs2 =  new JU.BS();
if (bs === this.bsAtoms) {
bs2 = bs;
} else {
for (var i = 0; i < this.bioPolymerCount; i++) if (this.bioPolymers[i].getType() == 0) this.bioPolymers[i].getRange(bs2, this.isMutated);

}if (bs2.nextSetBit(0) >= 0) sb.append("select ").append(JU.Escape.eBS(bs2)).append(";backbone only;");
if (this.act <= maxAtoms) return;
sb.append("select ").append(JU.Escape.eBS(bs)).append(" & connected; wireframe only;");
if (bs !== this.bsAtoms) {
bs2.clearAll();
bs2.or(this.bsAtoms);
bs2.andNot(bs);
if (bs2.nextSetBit(0) >= 0) sb.append("select " + JU.Escape.eBS(bs2) + " & !connected;stars 0.5;spacefill off;");
}}, "JU.SB,~N");
Clazz.defineMethod(c$, "getFullPDBHeader", 
function(){
if (this.modelIndex < 0) return "";
var info = this.auxiliaryInfo.get("fileHeader");
if (info != null) return info;
return this.ms.bioModelset.getBioExt().getFullPDBHeader(this.auxiliaryInfo);
});
Clazz.defineMethod(c$, "getPdbData", 
function(type, ctype, isDraw, bsSelected, out, tokens, pdbCONECT, bsWritten){
this.ms.bioModelset.getBioExt().getPdbDataM(this, this.vwr, type, ctype, isDraw, bsSelected, out, tokens, pdbCONECT, bsWritten);
}, "~S,~S,~B,JU.BS,JU.OC,~A,JU.SB,JU.BS");
Clazz.defineMethod(c$, "getRasmolHydrogenBonds", 
function(bsA, bsB, vHBonds, nucleicOnly, nMax, dsspIgnoreHydrogens, bsHBonds, version){
var doAdd = (vHBonds == null);
if (doAdd) vHBonds =  new JU.Lst();
if (nMax < 0) nMax = 2147483647;
var asDSSX = (bsB == null);
var bp;
var bp1;
if (asDSSX && this.bioPolymerCount > 0) {
this.calculateDssx(vHBonds, false, dsspIgnoreHydrogens, false, version);
} else {
for (var i = this.bioPolymerCount; --i >= 0; ) {
bp = this.bioPolymers[i];
if (bp.monomerCount == 0) continue;
var type = bp.getType();
var isRNA = false;
switch (type) {
case 1:
if (nucleicOnly) continue;
bp.calcRasmolHydrogenBonds(null, bsA, bsB, vHBonds, nMax, null, true, false);
break;
case 2:
isRNA = bp.monomers[0].isRna();
break;
default:
continue;
}
for (var j = this.bioPolymerCount; --j >= 0; ) {
if ((bp1 = this.bioPolymers[j]) != null && (isRNA || i != j) && type == bp1.getType()) {
bp1.calcRasmolHydrogenBonds(bp, bsA, bsB, vHBonds, nMax, null, true, false);
}}
}
}if (vHBonds.size() == 0 || !doAdd) return;
this.hasRasmolHBonds = true;
for (var i = 0; i < vHBonds.size(); i++) {
var bond = vHBonds.get(i);
var atom1 = bond.atom1;
var atom2 = bond.atom2;
if (atom1.isBonded(atom2)) continue;
var index = this.ms.addHBond(atom1, atom2, bond.order, bond.getEnergy());
if (bsHBonds != null) bsHBonds.set(index);
}
}, "JU.BS,JU.BS,JU.Lst,~B,~N,~B,JU.BS,~N");
Clazz.defineMethod(c$, "getUnitID", 
function(atom, flags){
var sb =  new JU.SB();
var m = atom.group;
var noTrim = ((flags & 16) != 16);
var ch = ((flags & 8) == 8 ? m.getInsertionCode() : '\0');
var isAll = (ch != '\0');
if ((flags & 1) == 1 && (this.pdbID != null)) sb.append(this.pdbID);
sb.append("|").appendO(this.ms.getInfo(this.modelIndex, "modelNumber")).append("|").append(this.vwr.getChainIDStr(m.chain.chainID)).append("|").append(m.getGroup3()).append("|").appendI(m.getResno());
if ((flags & 4) == 4) {
sb.append("|").append(atom.getAtomName());
if (atom.altloc != '\0') sb.append("|").appendC(atom.altloc);
 else if (noTrim || isAll) sb.append("|");
} else if (noTrim || isAll) {
sb.append("||");
}if (isAll) sb.append("|").appendC(ch);
 else if (noTrim) sb.append("|");
if (noTrim) sb.append("|");
return sb.toString();
}, "JM.Atom,~N");
Clazz.defineMethod(c$, "recalculateLeadMidpointsAndWingVectors", 
function(){
for (var ip = 0; ip < this.bioPolymerCount; ip++) this.bioPolymers[ip].recalculateLeadMidpointsAndWingVectors();

});
Clazz.defineMethod(c$, "resetRasmolBonds", 
function(bs, dsspVersion){
var bsDelete =  new JU.BS();
this.hasRasmolHBonds = false;
var am = this.ms.am;
var bo = this.ms.bo;
for (var i = this.ms.bondCount; --i >= 0; ) {
var bond = bo[i];
if (bond != null && (bond.order & 28672) != 0 && am[bond.atom1.mi].trajectoryBaseIndex == this.modelIndex) bsDelete.set(i);
}
if (bsDelete.nextSetBit(0) >= 0) this.ms.deleteBonds(bsDelete, false);
this.getRasmolHydrogenBonds(bs, bs, null, false, 2147483647, false, null, dsspVersion);
}, "JU.BS,~N");
Clazz.defineMethod(c$, "getAtomicDSSRData", 
function(dssrData, dataType){
if (this.auxiliaryInfo.containsKey("dssr")) this.vwr.getAnnotationParser(true).getAtomicDSSRData(this.ms, this.modelIndex, dssrData, dataType);
}, "~A,~S");
});
;//5.0.1-v7 Mon May 19 15:33:04 CDT 2025
