Clazz.declarePackage("JU");
Clazz.load(null, "JU.ContactPair", ["JU.P3", "$.V3", "JS.T"], function(){
var c$ = Clazz.decorateAsClass(function(){
this.radii = null;
this.vdws = null;
this.myAtoms = null;
this.pt = null;
this.volume = 0;
this.vdwVolume = 0;
this.score = 0;
this.d = 0;
this.chord = 0;
this.contactType = 0;
this.xVdwClash = NaN;
this.oldType = 0;
Clazz.instantialize(this, arguments);}, JU, "ContactPair", null);
Clazz.prepareFields (c$, function(){
this.radii =  Clazz.newFloatArray (2, 0);
this.vdws =  Clazz.newFloatArray (2, 0);
this.myAtoms =  new Array(2);
});
Clazz.makeConstructor(c$, 
function(atoms, i1, i2, R, r, vdwA, vdwB){
this.radii[0] = R;
this.radii[1] = r;
this.vdws[0] = vdwA;
this.vdws[1] = vdwB;
this.myAtoms[0] = atoms[i1];
this.myAtoms[1] = atoms[i2];
var v = JU.V3.newVsub(this.myAtoms[1], this.myAtoms[0]);
this.d = v.length();
var f = (R - r + this.d) / (2 * this.d);
this.pt =  new JU.P3();
this.pt.scaleAdd2(f, v, this.myAtoms[0]);
this.score = this.d - vdwA - vdwB;
this.contactType = (this.score < 0 ? 1073741881 : 1648363544);
if (this.score < 0) {
this.radii[0] = R = vdwA;
this.radii[1] = r = vdwB;
}this.getVolume();
}, "~A,~N,~N,~N,~N,~N,~N");
Clazz.defineMethod(c$, "getVolume", 
function(){
var R = this.radii[0];
var r = this.radii[1];
this.volume = (R + r - this.d);
this.volume *= 3.141592653589793 * this.volume * (this.d * this.d + 2 * this.d * r - 3 * r * r + 2 * this.d * R + 6 * r * R - 3 * R * R) / 12 / this.d;
this.vdwVolume = (this.score > 0 ? -this.volume : this.volume);
var a = (this.d * this.d - r * r + R * R);
this.chord = Math.sqrt(4 * this.d * this.d * R * R - a * a) / this.d;
});
Clazz.defineMethod(c$, "setForVdwClash", 
function(isVdw){
if (Float.isNaN(this.xVdwClash)) return false;
if (isVdw) {
this.oldType = this.contactType;
this.contactType = 1648363544;
this.radii[0] = this.vdws[0] + this.xVdwClash;
this.radii[1] = this.vdws[1] + this.xVdwClash;
} else {
this.contactType = this.oldType;
this.radii[0] = this.vdws[0];
this.radii[1] = this.vdws[1];
}this.getVolume();
return true;
}, "~B");
Clazz.defineMethod(c$, "switchAtoms", 
function(){
var atom = this.myAtoms[0];
this.myAtoms[0] = this.myAtoms[1];
this.myAtoms[1] = atom;
var r = this.radii[0];
this.radii[0] = this.radii[1];
this.radii[1] = r;
r = this.vdws[0];
this.vdws[0] = this.vdws[1];
this.vdws[1] = r;
});
Clazz.overrideMethod(c$, "toString", 
function(){
return "type=" + JS.T.nameOf(this.contactType) + " " + this.myAtoms[0] + " " + this.myAtoms[1] + " dAB=" + this.d + " score=" + this.score + " chord=" + this.chord + " volume=" + this.volume;
});
});
;//5.0.1-v2 Tue Jul 23 17:25:20 CDT 2024
