Clazz.declarePackage("JM");
Clazz.load(["JM.PhosphorusPolymer"], "JM.NucleicPolymer", ["JU.Measure", "$.P4", "$.V3", "JM.HBond"], function(){
var c$ = Clazz.decorateAsClass(function(){
this.isDssrSet = false;
Clazz.instantialize(this, arguments);}, JM, "NucleicPolymer", JM.PhosphorusPolymer);
Clazz.makeConstructor(c$, 
function(monomers){
Clazz.superConstructor(this, JM.NucleicPolymer, [monomers]);
this.type = 2;
this.hasWingPoints = true;
}, "~A");
Clazz.defineMethod(c$, "getNucleicPhosphorusAtom", 
function(monomerIndex){
return this.monomers[monomerIndex].getLeadAtom();
}, "~N");
Clazz.overrideMethod(c$, "calcEtaThetaAngles", 
function(){
var eta = NaN;
for (var i = 0; i < this.monomerCount - 2; ++i) {
var m1 = this.monomers[i];
var m2 = this.monomers[i + 1];
var p1 = m1.getP();
var c41 = m1.getC4P();
var p2 = m2.getP();
var c42 = m2.getC4P();
if (i > 0) {
var m0 = this.monomers[i - 1];
var c40 = m0.getC4P();
eta = JU.Measure.computeTorsion(c40, p1, c41, p2, true);
}var theta = JU.Measure.computeTorsion(p1, c41, p2, c42, true);
if (eta < 0) eta += 360;
if (theta < 0) theta += 360;
m1.setGroupParameter(1111490565, eta);
m1.setGroupParameter(1111490576, theta);
}
return true;
});
Clazz.overrideMethod(c$, "calcRasmolHydrogenBonds", 
function(polymer, bsA, bsB, vAtoms, nMaxPerResidue, min, checkDistances, dsspIgnoreHydrogens){
var other = polymer;
var vNorm =  new JU.V3();
var vAB =  new JU.V3();
for (var i = this.monomerCount; --i >= 0; ) {
var myNucleotide = this.monomers[i];
if (!myNucleotide.isPurine()) continue;
var myN3 = myNucleotide.getN3();
var isInA = bsA.get(myN3.i);
if (!isInA && !bsB.get(myN3.i)) continue;
var myN1 = myNucleotide.getN1();
var myN9 = myNucleotide.getN0();
var plane = JU.Measure.getPlaneThroughPoints(myN3, myN1, myN9, vNorm, vAB,  new JU.P4());
var bestN3 = null;
var minDist2 = 25;
var bestNucleotide = null;
for (var j = other.monomerCount; --j >= 0; ) {
var otherNucleotide = other.monomers[j];
if (!otherNucleotide.$isPyrimidine) continue;
var otherN3 = otherNucleotide.getN3();
if (isInA ? !bsB.get(otherN3.i) : !bsA.get(otherN3.i)) continue;
var otherN1 = otherNucleotide.getN0();
var dist2 = myN1.distanceSquared(otherN3);
if (dist2 < minDist2 && myN9.distanceSquared(otherN1) > 50 && Math.abs(JU.Measure.distanceToPlane(plane, otherN3)) < 1) {
bestNucleotide = otherNucleotide;
bestN3 = otherN3;
minDist2 = dist2;
}}
var n = 0;
if (bestN3 != null) {
n += JM.NucleicPolymer.addHydrogenBond(vAtoms, myN1, bestN3);
if (n >= nMaxPerResidue) continue;
if (myNucleotide.isGuanine()) {
n += JM.NucleicPolymer.addHydrogenBond(vAtoms, myNucleotide.getN2(), bestNucleotide.getO2());
if (n >= nMaxPerResidue) continue;
n += JM.NucleicPolymer.addHydrogenBond(vAtoms, myNucleotide.getO6(), bestNucleotide.getN4());
if (n >= nMaxPerResidue) continue;
} else {
n += JM.NucleicPolymer.addHydrogenBond(vAtoms, myNucleotide.getN6(), bestNucleotide.getO4());
}}}
}, "JM.BioPolymer,JU.BS,JU.BS,JU.Lst,~N,~A,~B,~B");
c$.addHydrogenBond = Clazz.defineMethod(c$, "addHydrogenBond", 
function(vAtoms, atom1, atom2){
if (atom1 == null || atom2 == null) return 0;
vAtoms.addLast( new JM.HBond(atom1, atom2, 18432, 1, 0, 0));
return 1;
}, "JU.Lst,JM.Atom,JM.Atom");
c$.htGroup1 = null;
});
;//5.0.1-v2 Tue Jul 23 17:25:20 CDT 2024
