Clazz.declarePackage("J.adapter.readers.xml");
Clazz.load(["J.adapter.readers.xml.XmlMOReader"], "J.adapter.readers.xml.XmlMolproReader", ["JU.PT"], function(){
var c$ = Clazz.declareType(J.adapter.readers.xml, "XmlMolproReader", J.adapter.readers.xml.XmlMOReader);
Clazz.makeConstructor(c$, 
function(){
Clazz.superConstructor (this, J.adapter.readers.xml.XmlMolproReader, []);
this.dslist = "d0 d2- d1+ d2+ d1-";
this.fclist = "XXX YYY ZZZ XXY XXZ XYY YYZ XZZ YZZ XYZ";
this.fslist = "f1+ f1- f0 f3+ f2- f3- f2+";
this.iHaveCoefMaps = true;
});
Clazz.overrideMethod(c$, "processStartElement", 
function(localName, nodeName){
if (!this.processing) return;
this.processStart2(localName);
if (!this.processStartMO(localName)) {
if (localName.equals("normalcoordinate")) {
this.setKeepChars(false);
if (!this.parent.doGetVibration(++this.vibrationNumber)) return;
try {
this.asc.cloneLastAtomSet();
} catch (e) {
if (Clazz.exceptionOf(e, Exception)){
System.out.println("" + e);
this.asc.errorMessage = "Error processing normalCoordinate: " + e.getMessage();
this.vibrationNumber = 0;
return;
} else {
throw e;
}
}
if (this.atts.containsKey("wavenumber")) {
var wavenumber = this.atts.get("wavenumber");
var units = "cm^-1";
if (this.atts.containsKey("units")) {
units = this.atts.get("units");
if (units.startsWith("inverseCent")) units = "cm^-1";
}this.asc.setAtomSetFrequency(this.vibrationNumber, null, null, wavenumber, units);
this.setKeepChars(true);
}return;
}if (localName.equals("vibrations")) {
this.vibrationNumber = 0;
return;
}}}, "~S,~S");
Clazz.overrideMethod(c$, "processEndElement", 
function(localName){
if (!this.processEndMO(localName)) {
if (localName.equals("normalcoordinate")) {
if (!this.keepChars) return;
var ac = this.asc.getLastAtomSetAtomCount();
var baseAtomIndex = this.asc.getLastAtomSetAtomIndex();
this.tokens = JU.PT.getTokens(this.chars.toString());
for (var offset = this.tokens.length - ac * 3, i = 0; i < ac; i++) {
this.asc.addVibrationVector(i + baseAtomIndex, this.parseFloatStr(this.tokens[offset++]), this.parseFloatStr(this.tokens[offset++]), this.parseFloatStr(this.tokens[offset++]));
}
this.setKeepChars(false);
}}this.processEnd2(localName);
}, "~S");
});
;//5.0.1-v2 Mon Mar 04 12:59:58 CST 2024
