Clazz.declarePackage ("J.quantum");
Clazz.load (null, "J.quantum.QS", ["java.lang.Character", "$.Float", "JU.SB"], function () {
c$ = Clazz.declareType (J.quantum, "QS");
Clazz.makeConstructor (c$, 
function () {
});
c$.isQuantumBasisSupported = Clazz.defineMethod (c$, "isQuantumBasisSupported", 
function (ch) {
return ("SPLDF".indexOf (Character.toUpperCase (ch)) >= 0);
}, "~S");
c$.getNewDfCoefMap = Clazz.defineMethod (c$, "getNewDfCoefMap", 
function () {
return [ Clazz.newIntArray (1, 0),  Clazz.newIntArray (3, 0),  Clazz.newIntArray (4, 0),  Clazz.newIntArray (5, 0),  Clazz.newIntArray (6, 0),  Clazz.newIntArray (7, 0),  Clazz.newIntArray (10, 0),  Clazz.newIntArray (9, 0),  Clazz.newIntArray (15, 0),  Clazz.newIntArray (11, 0),  Clazz.newIntArray (21, 0),  Clazz.newIntArray (13, 0),  Clazz.newIntArray (28, 0)];
});
c$.getItem = Clazz.defineMethod (c$, "getItem", 
function (i) {
return (i >= 0 && i < 13 ? i : -1);
}, "~N");
c$.getQuantumShellTagID = Clazz.defineMethod (c$, "getQuantumShellTagID", 
function (tag) {
if (tag.equals ("L")) return 2;
return J.quantum.QS.getQuantumShell (tag);
}, "~S");
c$.getQuantumShell = Clazz.defineMethod (c$, "getQuantumShell", 
 function (tag) {
for (var i = 0; i < 13; i++) if (J.quantum.QS.tags[i].equals (tag) || J.quantum.QS.tags2[i].equals (tag)) return i;

return -1;
}, "~S");
c$.getQuantumShellTagIDSpherical = Clazz.defineMethod (c$, "getQuantumShellTagIDSpherical", 
function (tag) {
if (tag.equals ("L")) return 2;
var id = J.quantum.QS.getQuantumShell (tag);
return (id < 0 ? id : J.quantum.QS.idSpherical[id]);
}, "~S");
c$.getQuantumShellTag = Clazz.defineMethod (c$, "getQuantumShellTag", 
function (id) {
return (id >= 0 && id < 13 ? J.quantum.QS.tags[id] : "" + id);
}, "~N");
c$.getMOString = Clazz.defineMethod (c$, "getMOString", 
function (lc) {
var sb =  new JU.SB ();
if (lc.length == 2) return "" + Clazz.floatToInt (lc[0] < 0 ? -lc[1] : lc[1]);
sb.appendC ('[');
for (var i = 0; i < lc.length; i += 2) {
if (i > 0) sb.append (", ");
sb.appendF (lc[i]).append (" ").appendI (Clazz.floatToInt (lc[i + 1]));
}
sb.appendC (']');
return sb.toString ();
}, "~A");
Clazz.defineMethod (c$, "setNboLabels", 
function (tokens, nLabels, orbitals, nOrbitals0, moType) {
for (var i = 0; i < tokens.length; i += nLabels + 2) if (moType.indexOf (tokens[i]) >= 0) {
for (var j = 0; j < nLabels; j++) {
var mo = orbitals.get (j + nOrbitals0);
var type = tokens[i + j + 2];
mo.put ("type", moType + " " + type);
mo.put ("occupancy", Float.$valueOf (type.indexOf ("*") >= 0 || type.indexOf ("(ry)") >= 0 ? 0 : 2));
}
return;
}
}, "~A,~N,JU.Lst,~N,~S");
Clazz.defineStatics (c$,
"S", 0,
"P", 1,
"SP", 2,
"DS", 3,
"DC", 4,
"FS", 5,
"FC", 6,
"GS", 7,
"GC", 8,
"HS", 9,
"HC", 10,
"IS", 11,
"IC", 12,
"MAXID", 13,
"idSpherical", [0, 1, 2, 3, 3, 5, 5, 7, 7, 9, 9, 11, 11],
"tags", ["S", "P", "SP", "5D", "D", "7F", "F", "9G", "G", "11H", "H", "13I", "I"],
"tags2", ["S", "X", "SP", "5D", "XX", "7F", "XXX", "9G", "XXXX", "11H", "XXXXX", "13I", "XXXXXX"]);
});
