Clazz.declarePackage("JM");
Clazz.load(null, "JM.Measurement", ["JU.Measure", "$.PT", "$.SB", "J.atomdata.RadiusData", "J.c.VDW", "JM.LabelToken", "JU.Escape"], function(){
var c$ = Clazz.decorateAsClass(function(){
this.ms = null;
this.thisID = null;
this.index = 0;
this.isVisible = true;
this.isHidden = false;
this.isTrajectory = false;
this.$isValid = true;
this.colix = 0;
this.labelColix = -1;
this.mad = 0;
this.tickInfo = null;
this.traceX = -2147483648;
this.traceY = 0;
this.count = 0;
this.countPlusIndices = null;
this.pts = null;
this.value = 0;
this.property = null;
this.strFormat = null;
this.units = null;
this.text = null;
this.vwr = null;
this.strMeasurement = null;
this.type = null;
this.tainted = false;
this.renderAxis = null;
this.renderArc = null;
this.newUnits = null;
this.fixedValue = NaN;
this.isPending = false;
this.inFront = false;
this.useDefaultLabel = false;
Clazz.instantialize(this, arguments);}, JM, "Measurement", null);
Clazz.prepareFields (c$, function(){
this.countPlusIndices =  Clazz.newIntArray (5, 0);
});
Clazz.defineMethod(c$, "isTainted", 
function(){
return (this.tainted && !(this.tainted = false));
});
Clazz.defineMethod(c$, "setM", 
function(modelSet, m, value, colix, strFormat, index){
this.ms = modelSet;
this.index = index;
this.vwr = modelSet.vwr;
this.colix = colix;
this.strFormat = strFormat;
if (m != null) {
this.tickInfo = m.tickInfo;
this.pts = m.pts;
this.mad = m.mad;
this.thisID = m.thisID;
this.text = m.text;
this.property = m.property;
this.units = m.units;
if (this.property == null && "+hz".equals(this.units)) {
this.property = "property_J";
}if (this.thisID != null && this.text != null) this.labelColix = this.text.colix;
}if (this.pts == null) this.pts =  new Array(4);
var indices = (m == null ? null : m.countPlusIndices);
this.count = (indices == null ? 0 : indices[0]);
if (this.count > 0) {
System.arraycopy(indices, 0, this.countPlusIndices, 0, this.count + 1);
this.isTrajectory = modelSet.isTrajectoryMeasurement(this.countPlusIndices);
}this.isPending = Float.isNaN(value);
this.value = (this.isPending || this.isTrajectory ? this.getMeasurement(null) : value);
this.formatMeasurement(null);
return this;
}, "JM.ModelSet,JM.Measurement,~N,~N,~S,~N");
Clazz.defineMethod(c$, "setPoints", 
function(modelSet, indices, points, tickInfo){
this.ms = modelSet;
this.countPlusIndices = indices;
this.count = indices[0];
this.pts = (points == null ?  new Array(4) : points);
this.vwr = modelSet.vwr;
this.tickInfo = tickInfo;
return this;
}, "JM.ModelSet,~A,~A,JM.TickInfo");
Clazz.defineMethod(c$, "setCount", 
function(count){
this.setCountM(count);
}, "~N");
Clazz.defineMethod(c$, "setCountM", 
function(count){
this.count = this.countPlusIndices[0] = count;
}, "~N");
Clazz.defineMethod(c$, "getAtomIndex", 
function(n){
return (n > 0 && n <= this.count ? this.countPlusIndices[n] : -1);
}, "~N");
Clazz.defineMethod(c$, "getAtom", 
function(n){
var pt = this.countPlusIndices[n];
return (pt < -1 ? this.pts[-2 - pt] : this.ms.at[pt]);
}, "~N");
Clazz.defineMethod(c$, "getLastIndex", 
function(){
return (this.count > 0 ? this.countPlusIndices[this.count] : -1);
});
Clazz.defineMethod(c$, "getString", 
function(){
return this.strMeasurement;
});
Clazz.overrideMethod(c$, "toString", 
function(){
return this.getString();
});
Clazz.defineMethod(c$, "getStringUsing", 
function(vwr, strFormat, units){
this.vwr = vwr;
this.value = this.getMeasurement(null);
this.formatMeasurementAs(strFormat, units, true);
if (strFormat == null) return this.getInfoAsString(units);
return this.strMeasurement;
}, "JV.Viewer,~S,~S");
Clazz.defineMethod(c$, "getStringDetail", 
function(){
return (this.count == 2 ? "Distance" : this.count == 3 ? "Angle" : "Torsion") + this.getMeasurementScript(" - ", false) + " : " + this.value;
});
Clazz.defineMethod(c$, "refresh", 
function(pts){
this.value = this.getMeasurement(pts);
this.isTrajectory = this.ms.isTrajectoryMeasurement(this.countPlusIndices);
this.formatMeasurement(null);
}, "~A");
Clazz.defineMethod(c$, "getMeasurementScript", 
function(sep, withModelIndex){
var sb =  new JU.SB();
var asBitSet = (sep.equals(" "));
for (var i = 1; i <= this.count; i++) sb.append(i > 1 ? sep : " ").append(this.getLabel(i, asBitSet, withModelIndex));

return sb.toString();
}, "~S,~B");
Clazz.defineMethod(c$, "formatMeasurementAs", 
function(strFormat, units, useDefault){
if (strFormat != null && strFormat.length == 0) strFormat = null;
if (!useDefault && strFormat != null && strFormat.indexOf(this.countPlusIndices[0] + ":") != 0) return;
this.strFormat = strFormat;
this.formatMeasurement(units);
}, "~S,~S,~B");
Clazz.defineMethod(c$, "formatMeasurement", 
function(units){
this.tainted = true;
switch (Float.isNaN(this.value) ? 0 : this.count) {
default:
this.strMeasurement = null;
return;
case 2:
this.strMeasurement = this.formatDistance(units);
return;
case 3:
case 4:
this.strMeasurement = this.formatAngle(this.value);
return;
}
}, "~S");
Clazz.defineMethod(c$, "reformatDistanceIfSelected", 
function(isDefault){
if (this.count == 2 && this.vwr.slm.isSelected(this.countPlusIndices[1]) && this.vwr.slm.isSelected(this.countPlusIndices[2])) {
var pt;
if (this.useDefaultLabel && this.strFormat != null && (pt = this.strFormat.indexOf("//")) >= 0) this.strFormat = this.strFormat.substring(0, pt);
if (isDefault) this.units = null;
this.formatMeasurement(null);
}}, "~B");
Clazz.defineMethod(c$, "formatDistance", 
function(units){
var label = this.getLabelString();
if (label == null) return "";
var pt = this.strFormat.indexOf("//");
if (units == null) {
units = this.units;
if (units == null) {
units = (pt >= 0 ? this.strFormat.substring(pt + 2) : this.property == null ? this.vwr.g.measureDistanceUnits : "");
}}if (pt >= 0) {
this.strFormat = this.strFormat.substring(0, pt);
}this.strFormat += "//" + units;
units = JM.Measurement.fixUnits(units);
pt = label.indexOf("//");
if (pt >= 0) {
label = label.substring(0, pt);
if (label.length == 0) label = "%VALUE";
}var f = this.fixValue(units, (label.indexOf("%V") >= 0));
return this.formatString(f, this.newUnits, label);
}, "~S");
Clazz.defineMethod(c$, "fixValue", 
function(units, andRound){
this.checkJ(units);
if (units != null && units.startsWith("+")) {
if (!this.isPending) this.value = Math.abs(this.value);
units = units.substring(1);
}this.newUnits = units;
if (this.count != 2) return this.value;
var dist = this.value;
if (units == null && this.property != null) units = "";
if (units != null) {
var isPercent = units.equals("%");
if (this.property == null && (isPercent || units.endsWith("hz"))) {
var i1 = this.getAtomIndex(1);
var i2 = this.getAtomIndex(2);
if (i1 >= 0 && i2 >= 0) {
var a1 = this.getAtom(1);
var a2 = this.getAtom(2);
var itype = JM.Measurement.nmrType(units);
var isDC = (!isPercent && itype == 1);
this.type = (isPercent ? "percent" : isDC ? "dipoleCouplingConstant" : itype == 3 ? "NOE or 3JHH" : "J-CouplingConstant");
if (itype == 3) {
var result = this.vwr.getNMRCalculation().getNOEorJHH( Clazz.newArray(-1, [a1, null, null, a2]), 11);
if (result == null) {
dist = NaN;
this.newUnits = units = "";
} else {
dist = result[1];
units = this.newUnits = (result.length == 2 ? "noe" : "hz");
}} else {
dist = (isPercent ? dist / (a1.getVanderwaalsRadiusFloat(this.vwr, J.c.VDW.AUTO) + a2.getVanderwaalsRadiusFloat(this.vwr, J.c.VDW.AUTO)) : isDC ? this.vwr.getNMRCalculation().getDipolarConstantHz(a1, a2) : this.vwr.getNMRCalculation().getIsoOrAnisoHz(true, a1, a2, units, null));
}this.$isValid = !Float.isNaN(dist);
if (isPercent) units = "pm";
}}return JM.Measurement.toUnits(dist, units, andRound);
}return (andRound ? Math.round(dist * 100) / 100 : dist);
}, "~S,~B");
Clazz.defineMethod(c$, "checkJ", 
function(units){
if (this.property != null || units != null || this.units != null) return;
units = this.vwr.g.measureDistanceUnits;
if ("+hz".equals(units)) {
this.property = "property_J";
this.units = units;
}}, "~S");
c$.nmrType = Clazz.defineMethod(c$, "nmrType", 
function(units){
return (units.indexOf("hz") < 0 ? 0 : units.equals("noe_hz") ? 3 : units.startsWith("dc_") || units.equals("khz") ? 1 : 2);
}, "~S");
Clazz.defineMethod(c$, "formatAngle", 
function(angle){
var label = this.getLabelString();
if (label.indexOf("%V") >= 0) angle = Math.round(angle * 10) / 10;
return this.formatString(angle, "\u00B0", label);
}, "~N");
Clazz.defineMethod(c$, "getLabelString", 
function(){
var atomCount = this.countPlusIndices[0];
var s = atomCount + ":";
var label = null;
if (this.strFormat != null) {
if (this.strFormat.length == 0) return null;
label = (this.strFormat.length > 2 && this.strFormat.indexOf(s) == 0 ? this.strFormat : null);
}this.useDefaultLabel = false;
if (label == null) {
this.strFormat = null;
label = this.vwr.getDefaultMeasurementLabel(this.countPlusIndices[0]);
this.useDefaultLabel = (this.units == null);
}if (label.indexOf(s) == 0) label = label.substring(2);
if (this.strFormat == null) this.strFormat = s + label;
return label;
});
Clazz.defineMethod(c$, "formatString", 
function(value, units, label){
return JM.LabelToken.formatLabelMeasure(this.vwr, this, label, value, units);
}, "~N,~S,~S");
Clazz.defineMethod(c$, "sameAsPoints", 
function(indices, points){
if (this.count != indices[0]) return false;
var isSame = true;
for (var i = 1; i <= this.count && isSame; i++) isSame = (this.countPlusIndices[i] == indices[i]);

if (isSame) for (var i = 0; i < this.count && isSame; i++) {
if (points[i] != null) isSame = (this.pts[i].distance(points[i]) < 0.01);
}
if (isSame) return true;
switch (this.count) {
default:
return true;
case 2:
return this.sameAsIJ(indices, points, 1, 2) && this.sameAsIJ(indices, points, 2, 1);
case 3:
return this.sameAsIJ(indices, points, 1, 3) && this.sameAsIJ(indices, points, 2, 2) && this.sameAsIJ(indices, points, 3, 1);
case 4:
return this.sameAsIJ(indices, points, 1, 4) && this.sameAsIJ(indices, points, 2, 3) && this.sameAsIJ(indices, points, 3, 2) && this.sameAsIJ(indices, points, 4, 1);
}
}, "~A,~A");
Clazz.defineMethod(c$, "sameAsIJ", 
function(atoms, points, i, j){
var ipt = this.countPlusIndices[i];
var jpt = atoms[j];
return (ipt >= 0 || jpt >= 0 ? ipt == jpt : this.pts[-2 - ipt].distance(points[-2 - jpt]) < 0.01);
}, "~A,~A,~N,~N");
Clazz.defineMethod(c$, "sameAs", 
function(i, j){
return this.sameAsIJ(this.countPlusIndices, this.pts, i, j);
}, "~N,~N");
Clazz.defineMethod(c$, "getPropMeasurement", 
function(pts){
if (this.countPlusIndices == null || this.count != 2) return NaN;
for (var i = this.count; --i >= 0; ) if (this.countPlusIndices[i + 1] < 0) {
return NaN;
}
try {
var ptA = (pts == null ? this.getAtom(1) : pts[0]);
var ptB = (pts == null ? this.getAtom(2) : pts[1]);
var props = this.vwr.getDataObj(this.property, null, 2);
var ia = ptA.i;
var ib = ptB.i;
return (props == null || ib >= props.length || ia >= props.length ? NaN : props[ia][ib]);
} catch (t) {
return NaN;
}
}, "~A");
Clazz.defineMethod(c$, "getMeasurement", 
function(pts){
this.checkJ(null);
if (!Float.isNaN(this.fixedValue)) return this.fixedValue;
if (this.property != null) return this.getPropMeasurement(pts);
if (this.countPlusIndices == null) return NaN;
if (this.count < 2) return NaN;
for (var i = this.count; --i >= 0; ) if (this.countPlusIndices[i + 1] == -1) {
return NaN;
}
var ptA = (pts == null ? this.getAtom(1) : pts[0]);
var ptB = (pts == null ? this.getAtom(2) : pts[1]);
var ptC;
switch (this.count) {
case 2:
return ptA.distance(ptB);
case 3:
ptC = (pts == null ? this.getAtom(3) : pts[2]);
return JU.Measure.computeAngleABC(ptA, ptB, ptC, true);
case 4:
ptC = (pts == null ? this.getAtom(3) : pts[2]);
var ptD = (pts == null ? this.getAtom(4) : pts[3]);
return JU.Measure.computeTorsion(ptA, ptB, ptC, ptD, true);
default:
return NaN;
}
}, "~A");
Clazz.defineMethod(c$, "getLabel", 
function(i, asBitSet, withModelIndex){
var atomIndex = this.countPlusIndices[i];
return (atomIndex < 0 ? (withModelIndex ? "modelIndex " + this.getAtom(i).mi + " " : "") + JU.Escape.eP(this.getAtom(i)) : asBitSet ? "({" + atomIndex + "})" : this.vwr.getAtomInfo(atomIndex));
}, "~N,~B,~B");
Clazz.defineMethod(c$, "setModelIndex", 
function(modelIndex){
if (this.pts == null) return;
for (var i = 0; i < this.count; i++) {
if (this.pts[i] != null) this.pts[i].mi = modelIndex;
}
}, "~N");
Clazz.defineMethod(c$, "isValid", 
function(){
return !(this.sameAs(1, 2) || this.count > 2 && this.sameAs(1, 3) || this.count == 4 && this.sameAs(2, 4));
});
c$.find = Clazz.defineMethod(c$, "find", 
function(measurements, m){
var indices = m.countPlusIndices;
var points = m.pts;
for (var i = measurements.size(); --i >= 0; ) if (measurements.get(i).sameAsPoints(indices, points)) return i;

return -1;
}, "JU.Lst,JM.Measurement");
Clazz.defineMethod(c$, "isConnected", 
function(atoms, count){
var atomIndexLast = -1;
for (var i = 1; i <= count; i++) {
var atomIndex = this.getAtomIndex(i);
if (atomIndex < 0) continue;
if (atomIndexLast >= 0 && !atoms[atomIndex].isBonded(atoms[atomIndexLast])) return false;
atomIndexLast = atomIndex;
}
return true;
}, "~A,~N");
Clazz.defineMethod(c$, "getInfoAsString", 
function(units){
var f = this.fixValue(units, true);
var sb =  new JU.SB();
sb.append(this.count == 2 ? (this.property != null ? this.property : this.type == null ? "distance" : this.type) : this.count == 3 ? "angle" : "dihedral");
sb.append(" \t").appendF(f);
sb.append(" \t").append(JU.PT.esc(this.strMeasurement));
for (var i = 1; i <= this.count; i++) sb.append(" \t").append(this.getLabel(i, false, false));

if (this.thisID != null) sb.append(" \t").append(this.thisID);
return sb.toString();
}, "~S");
Clazz.defineMethod(c$, "isInRange", 
function(radiusData, value){
if (radiusData.factorType === J.atomdata.RadiusData.EnumType.FACTOR) {
var atom1 = this.getAtom(1);
var atom2 = this.getAtom(2);
var d = (atom1.getVanderwaalsRadiusFloat(this.vwr, radiusData.vdwType) + atom2.getVanderwaalsRadiusFloat(this.vwr, radiusData.vdwType)) * radiusData.value;
return (value <= d);
}return (radiusData.values[0] == 3.4028235E38 || value >= radiusData.values[0] && value <= radiusData.values[1]);
}, "J.atomdata.RadiusData,~N");
Clazz.defineMethod(c$, "isIntramolecular", 
function(atoms, count){
var molecule = -1;
for (var i = 1; i <= count; i++) {
var atomIndex = this.getAtomIndex(i);
if (atomIndex < 0) continue;
var m = atoms[atomIndex].getMoleculeNumber(false);
if (molecule < 0) molecule = m;
 else if (m != molecule) return false;
}
return true;
}, "~A,~N");
Clazz.defineMethod(c$, "isMin", 
function(htMin){
var a1 = this.getAtom(1);
var a2 = this.getAtom(2);
var d = Clazz.floatToInt(a2.distanceSquared(a1) * 100);
var n1 = a1.getAtomName();
var n2 = a2.getAtomName();
var key = (n1.compareTo(n2) < 0 ? n1 + n2 : n2 + n1);
var min = htMin.get(key);
return (min != null && d == min.intValue());
}, "java.util.Map");
c$.isUnits = Clazz.defineMethod(c$, "isUnits", 
function(s){
return (JU.PT.isOneOf((s.startsWith("+") ? s.substring(1) : s).toLowerCase(), ";nm;nanometers;pm;picometers;angstroms;angstroms;ang;\u00C5;au;vanderwaals;vdw;%;noe;") || s.indexOf(" ") < 0 && s.endsWith("hz"));
}, "~S");
c$.toUnits = Clazz.defineMethod(c$, "toUnits", 
function(dist, units, andRound){
if (Float.isNaN(dist)) return NaN;
if (units.equals("hz")) return (andRound ? Math.round(dist * 10) / 10 : dist);
if (units.equals("nm")) return (andRound ? Math.round(dist * 100) / 1000 : dist / 10);
if (units.equals("pm")) return (andRound ? Math.round(dist * 1000) / 10 : dist * 100);
if (units.equals("au")) return (andRound ? Math.round(dist / 0.5291772 * 1000) / 1000 : dist / 0.5291772);
if (units.endsWith("khz")) return (andRound ? Math.round(dist / 10) / 100 : dist / 1000);
return (andRound ? Math.round(dist * 100) / 100 : dist);
}, "~N,~S,~B");
c$.fromUnits = Clazz.defineMethod(c$, "fromUnits", 
function(dist, units){
if (units.equals("nm")) return dist * 10;
if (units.equals("pm")) return dist / 100;
if (units.equals("au")) return dist * 0.5291772;
if (units.equals("\u00C5")) return dist;
return 0;
}, "~N,~S");
c$.fixUnits = Clazz.defineMethod(c$, "fixUnits", 
function(u){
var units = (u.endsWith("s") ? u.substring(0, u.length - 1) : u);
if (units.equals("nanometer")) return "nm";
 else if (units.equals("bohr") || units.equals("atomicunits") || units.equals("atomic")) return "au";
 else if (units.equals("picometer")) return "pm";
 else if (units.equals("\u00E5") || units.equals("angstrom") || units.equals("a") || units.equals("ang")) return "\u00C5";
 else if (units.equals("vanderwaal") || units.equals("vdw")) return "%";
return u;
}, "~S");
Clazz.defineMethod(c$, "getDistanceFormatForState", 
function(){
return (this.useDefaultLabel ? null : this.strFormat);
});
Clazz.defineMethod(c$, "setFromMD", 
function(md, andText){
if (md.thisID != null) {
this.thisID = md.thisID;
this.mad = md.mad;
if (md.colix != 0) this.colix = md.colix;
this.strFormat = md.strFormat;
this.text = md.text;
}this.units = ("default".equals(md.units) ? null : md.units);
this.property = md.property;
this.fixedValue = md.fixedValue;
if (md.colix != 0) this.colix = md.colix;
if (md.mad != 0) this.mad = md.mad;
if (md.strFormat != null) {
this.strFormat = (this.strFormat == null ? md.strFormat : this.strFormat.substring(0, 2)) + md.strFormat.substring(2);
}if (md.text != null) {
if (this.text == null) {
this.text = md.text;
} else {
if (md.text.font != null) {
this.text.setFont(md.text.font, false);
this.text.fontScale = md.text.font.fontSize / md.text.font.fontSizeNominal;
}this.text.text = null;
if (md.text.align != 0) this.text.align = md.text.align;
if (md.colix != 0) this.labelColix = this.text.colix = md.text.colix;
}}this.formatMeasurement(null);
}, "JM.MeasurementData,~B");
});
;//5.0.1-v2 Tue Jul 23 17:25:20 CDT 2024
