openchemlib 9.21.0 → 9.22.1

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
@@ -1298,7 +1298,7 @@ function init(OCL) {
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  delete OCL.GenericUIHelper;
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  }
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1301
- // lib/extend/appendChangeCustomLabelPosition.js
1301
+ // lib/extend/append_change_custom_label_position.js
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  function appendChangeCustomLabelPosition(Molecule2) {
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  Molecule2.prototype.changeCustomLabelPosition = function changeCustomLabelPosition(customLabelPosition) {
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  switch (customLabelPosition) {
@@ -1341,7 +1341,7 @@ function appendChangeCustomLabelPosition(Molecule2) {
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  };
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  }
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- // lib/extend/appendGetNextCustomAtomLabel.js
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+ // lib/extend/append_get_next_custom_atom_label.js
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  function appendGetNextCustomAtomLabel(Molecule2) {
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  Molecule2.prototype.getNextCustomAtomLabel = function getNextCustomAtomLabel(label) {
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  let nextLabel = label || "1";
@@ -1375,7 +1375,7 @@ function getNextLabel(label) {
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  return "1";
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  }
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- // lib/extend/extendFromMolfile.js
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+ // lib/extend/extend_from_molfile.js
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  function extendFromMolfile(Molecule2) {
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  const _fromMolfile = Molecule2.fromMolfile;
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  Molecule2.fromMolfile = function fromMolfile(molfile, options = {}) {
@@ -1422,7 +1422,7 @@ function extendFromMolfile(Molecule2) {
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  };
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  }
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- // lib/extend/extendToMolfile.js
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+ // lib/extend/extend_to_molfile.js
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  var CUSTOM_ATOMS_LABELS_TAGS = [
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  "M STY",
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  "M SLB",
@@ -1478,7 +1478,7 @@ function extendToMolfile(Molecule2) {
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  };
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  }
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- // lib/extend/extendToRxn.js
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+ // lib/extend/extend_to_rxn.js
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  function extendToRxn(Reaction2) {
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  const _toRxn = Reaction2.prototype.toRxn;
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  const _toRxnV3 = Reaction2.prototype.toRxnV3;
@@ -1499,7 +1499,7 @@ function internalToRxn(reaction, rxnFct, options) {
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  }
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  }
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- // lib/extend/extendToSVG.js
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+ // lib/extend/extend_to_svg.js
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  function extendToSVG(Molecule2) {
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  const _toSVG = Molecule2.prototype.toSVG;
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  Molecule2.prototype.toSVG = function toSVG(width, height, id, options) {
@@ -2175,7 +2175,7 @@ function getExports($wnd) {
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  RuntimeException_1.call(this, msg);
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  this.$init_213();
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  }
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- defineClass(154, 22, { 4: 1, 12: 1, 1: 1, 22: 1, 18: 1 }, JsException_0);
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+ defineClass(153, 22, { 4: 1, 12: 1, 1: 1, 22: 1, 18: 1 }, JsException_0);
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  _.$init_213 = function $init_213() {
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  this.backingJsObject_0 = UNINITIALIZED_0;
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  };
@@ -2192,7 +2192,7 @@ function getExports($wnd) {
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  JsException_0.call(this, e);
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  this.$init_214();
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  }
2195
- defineClass(430, 154, { 4: 1, 12: 1, 1: 1, 22: 1, 18: 1 });
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+ defineClass(430, 153, { 4: 1, 12: 1, 1: 1, 22: 1, 18: 1 });
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  _.$init_214 = function $init_214() {
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  };
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  function $clinit_JavaScriptException() {
@@ -3853,7 +3853,7 @@ function getExports($wnd) {
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  RuntimeException_1.call(this, s);
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  this.$init_288();
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  }
3856
- defineClass(141, 22, { 4: 1, 12: 1, 1: 1, 22: 1, 18: 1 }, IllegalStateException, IllegalStateException_0);
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+ defineClass(140, 22, { 4: 1, 12: 1, 1: 1, 22: 1, 18: 1 }, IllegalStateException, IllegalStateException_0);
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  _.$init_288 = function $init_288() {
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  };
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  function $clinit_IndexOutOfBoundsException() {
@@ -4061,7 +4061,7 @@ function getExports($wnd) {
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  JsException_1.call(this, message);
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  this.$init_292();
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  }
4064
- defineClass(75, 154, { 4: 1, 12: 1, 1: 1, 22: 1, 18: 1 }, NullPointerException, NullPointerException_0, NullPointerException_1);
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+ defineClass(75, 153, { 4: 1, 12: 1, 1: 1, 22: 1, 18: 1 }, NullPointerException, NullPointerException_0, NullPointerException_1);
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  _.$init_292 = function $init_292() {
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  };
4067
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  _.createError = function createError_0(msg) {
@@ -4807,7 +4807,7 @@ function getExports($wnd) {
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  var e, e$iterator, joiner;
4808
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  joiner = new StringJoiner(delimiter);
4809
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  for (e$iterator = elements.iterator(); e$iterator.hasNext_0(); ) {
4810
- e = castTo(e$iterator.next_3(), 153);
4810
+ e = castTo(e$iterator.next_3(), 152);
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  joiner.add_12(e);
4812
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  }
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  return joiner.toString_0();
@@ -5024,7 +5024,7 @@ function getExports($wnd) {
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  }
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  return s;
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  }
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- stringCastMap = { 4: 1, 153: 1, 24: 1, 1: 1, 2: 1 };
5027
+ stringCastMap = { 4: 1, 152: 1, 24: 1, 1: 1, 2: 1 };
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  var CASE_INSENSITIVE_ORDER;
5029
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  function $clinit_Comparator() {
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  $clinit_Comparator = emptyMethod;
@@ -5735,7 +5735,7 @@ function getExports($wnd) {
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  var Ljava_lang_Throwable_2_classLit = createForClass("java.lang", "Throwable", 18, Ljava_lang_Object_2_classLit);
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  var Ljava_lang_Exception_2_classLit = createForClass("java.lang", "Exception", 12, Ljava_lang_Throwable_2_classLit);
5737
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  var Ljava_lang_RuntimeException_2_classLit = createForClass("java.lang", "RuntimeException", 22, Ljava_lang_Exception_2_classLit);
5738
- var Ljava_lang_JsException_2_classLit = createForClass("java.lang", "JsException", 154, Ljava_lang_RuntimeException_2_classLit);
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+ var Ljava_lang_JsException_2_classLit = createForClass("java.lang", "JsException", 153, Ljava_lang_RuntimeException_2_classLit);
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  var Lcom_google_gwt_core_client_impl_JavaScriptExceptionBase_2_classLit = createForClass("com.google.gwt.core.client.impl", "JavaScriptExceptionBase", 430, Ljava_lang_JsException_2_classLit);
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  var Lcom_google_gwt_core_client_JavaScriptException_2_classLit = createForClass("com.google.gwt.core.client", "JavaScriptException", 161, Lcom_google_gwt_core_client_impl_JavaScriptExceptionBase_2_classLit);
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  var Lcom_google_gwt_core_client_JavaScriptObject_2_classLit = createForClass("com.google.gwt.core.client", "JavaScriptObject$", 0, Ljava_lang_Object_2_classLit);
@@ -5758,7 +5758,7 @@ function getExports($wnd) {
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  var Ljava_lang_ClassCastException_2_classLit = createForClass("java.lang", "ClassCastException", 373, Ljava_lang_RuntimeException_2_classLit);
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  var Ljava_lang_Number_2_classLit = createForClass("java.lang", "Number", 19, Ljava_lang_Object_2_classLit);
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  var Ljava_lang_Double_2_classLit = createForClass("java.lang", "Double", 370, Ljava_lang_Number_2_classLit);
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- var Ljava_lang_IllegalStateException_2_classLit = createForClass("java.lang", "IllegalStateException", 141, Ljava_lang_RuntimeException_2_classLit);
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+ var Ljava_lang_IllegalStateException_2_classLit = createForClass("java.lang", "IllegalStateException", 140, Ljava_lang_RuntimeException_2_classLit);
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  var Ljava_lang_IndexOutOfBoundsException_2_classLit = createForClass("java.lang", "IndexOutOfBoundsException", 84, Ljava_lang_RuntimeException_2_classLit);
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  var Ljava_lang_Integer_2_classLit = createForClass("java.lang", "Integer", 35, Ljava_lang_Number_2_classLit);
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  var Ljava_lang_NullPointerException_2_classLit = createForClass("java.lang", "NullPointerException", 75, Ljava_lang_JsException_2_classLit);
@@ -7124,14 +7124,12 @@ function getExports($wnd) {
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  atomStr = atmStart + ("" + this.mMol.getAtomListString_0(atom)) + "]";
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7125
  if (length__I__devirtual$_0(atomStr) > 5)
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7126
  atomStr = atmStart + this.mMol.getAtomList_0(atom).length + "]";
7127
- if (neq(and_0(this.mMol.getAtomQueryFeatures(atom), 2048), 0))
7128
- hydrogensToAdd = -1;
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7127
  } else if (neq(and_0(this.mMol.getAtomQueryFeatures(atom), 1), 0)) {
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  atomStr = "?";
7131
- if (neq(and_0(this.mMol.getAtomQueryFeatures(atom), 2048), 0))
7132
- hydrogensToAdd = -1;
7133
7129
  } else if (this.mMol.getAtomicNo_0(atom) != 6 || jsNotEquals(propStr, null) || jsNotEquals(isoStr, null) && (!isSmallCustomLabelOnly || (this.mDisplayMode & 32768) == 0) || hydrogensToAdd > 0 || !this.mAtomIsConnected[atom])
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  atomStr = this.mMol.getAtomLabel_0(atom);
7131
+ if (neq(and_0(this.mMol.getAtomQueryFeatures(atom), 2048), 0) && hydrogensToAdd == 0)
7132
+ isoStr = this.append(isoStr, "!s");
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7133
  labelWidth = 0;
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  if (!this.mMol.isSelectedAtom_0(atom) & this.mMol.isExcludeGroupAtom(atom))
7137
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  this.setColorCode(-8);
@@ -7236,11 +7234,7 @@ function getExports($wnd) {
7236
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  hydrogenWidth = this.getStringWidth("H");
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7235
  hNoWidth = 0;
7238
7236
  hHeight = this.getTextSize();
7239
- if (hydrogensToAdd == -1) {
7240
- hNoStr = "n";
7241
- this.mpSetSmallLabelSize();
7242
- hNoWidth = this.getStringWidth(hNoStr);
7243
- } else if (hydrogensToAdd > 1) {
7237
+ if (hydrogensToAdd > 1) {
7244
7238
  hNoStr = valueOf_18(hydrogensToAdd);
7245
7239
  this.mpSetSmallLabelSize();
7246
7240
  hNoWidth = this.getStringWidth(hNoStr);
@@ -9453,8 +9447,8 @@ function getExports($wnd) {
9453
9447
  }
9454
9448
  return false;
9455
9449
  }
9456
- defineClass(804, 1, { 1: 1 });
9457
- var Lcom_actelion_research_chem_AtomFunctionAnalyzer_2_classLit = createForClass("com.actelion.research.chem", "AtomFunctionAnalyzer", 804, Ljava_lang_Object_2_classLit);
9450
+ defineClass(803, 1, { 1: 1 });
9451
+ var Lcom_actelion_research_chem_AtomFunctionAnalyzer_2_classLit = createForClass("com.actelion.research.chem", "AtomFunctionAnalyzer", 803, Ljava_lang_Object_2_classLit);
9458
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  function $clinit_AtomTypeCalculator() {
9459
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  $clinit_AtomTypeCalculator = emptyMethod;
9460
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  $clinit_Object();
@@ -11182,7 +11176,7 @@ function getExports($wnd) {
11182
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  var comparator, consolidatedRank, count, i, i0, i1, level, levelOffset, rankObject;
11183
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  levelOffset = levelStart[currentLevel];
11184
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  count = levelStart[currentLevel + 1] - levelOffset;
11185
- rankObject = initUnidimensionalArray(Lcom_actelion_research_chem_Canonizer$2RankObject_2_classLit, { 4: 1, 1: 1, 7: 1 }, 157, count, 0, 1);
11179
+ rankObject = initUnidimensionalArray(Lcom_actelion_research_chem_Canonizer$2RankObject_2_classLit, { 4: 1, 1: 1, 7: 1 }, 156, count, 0, 1);
11186
11180
  for (i0 = 0; i0 < count; i0++) {
11187
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  setCheck(rankObject, i0, new Canonizer$2RankObject(this));
11188
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  rankObject[i0].rank = graphRank[i0 + levelOffset];
@@ -11242,7 +11236,7 @@ function getExports($wnd) {
11242
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  var baseIndex, comparator, consolidatedRank, i, level, nextBaseIndex, parent_0, parent0, parentCount, parentIndex, rankObject;
11243
11237
  for (level = currentLevel; level > 1; level--) {
11244
11238
  parentCount = levelStart[level] - levelStart[level - 1];
11245
- rankObject = initUnidimensionalArray(Lcom_actelion_research_chem_Canonizer$1RankObject_2_classLit, { 4: 1, 1: 1, 7: 1 }, 156, parentCount, 0, 1);
11239
+ rankObject = initUnidimensionalArray(Lcom_actelion_research_chem_Canonizer$1RankObject_2_classLit, { 4: 1, 1: 1, 7: 1 }, 155, parentCount, 0, 1);
11246
11240
  baseIndex = levelStart[level];
11247
11241
  for (parent0 = 0; parent0 < parentCount; parent0++) {
11248
11242
  parentIndex = levelStart[level - 1] + parent0;
@@ -12571,7 +12565,7 @@ function getExports($wnd) {
12571
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  _.$init_7 = function $init_7() {
12572
12566
  };
12573
12567
  _.compare_0 = function compare_1(r1, r2) {
12574
- return this.compare(castTo(r1, 156), castTo(r2, 156));
12568
+ return this.compare(castTo(r1, 155), castTo(r2, 155));
12575
12569
  };
12576
12570
  _.equals_0 = function equals_0(other) {
12577
12571
  return getClassPrototype(1).equals_0.call(this, other);
@@ -12606,13 +12600,13 @@ function getExports($wnd) {
12606
12600
  Object_0.call(this);
12607
12601
  this.$init_8();
12608
12602
  }
12609
- defineClass(156, 1, { 156: 1, 1: 1 }, Canonizer$1RankObject);
12603
+ defineClass(155, 1, { 155: 1, 1: 1 }, Canonizer$1RankObject);
12610
12604
  _.$init_8 = function $init_8() {
12611
12605
  };
12612
12606
  _.parentHCount = 0;
12613
12607
  _.parentIndex = 0;
12614
12608
  _.parentRank = 0;
12615
- var Lcom_actelion_research_chem_Canonizer$1RankObject_2_classLit = createForClass("com.actelion.research.chem", "Canonizer/1RankObject", 156, Ljava_lang_Object_2_classLit);
12609
+ var Lcom_actelion_research_chem_Canonizer$1RankObject_2_classLit = createForClass("com.actelion.research.chem", "Canonizer/1RankObject", 155, Ljava_lang_Object_2_classLit);
12616
12610
  function $clinit_Canonizer$2() {
12617
12611
  $clinit_Canonizer$2 = emptyMethod;
12618
12612
  $clinit_Object();
@@ -12628,7 +12622,7 @@ function getExports($wnd) {
12628
12622
  _.$init_9 = function $init_9() {
12629
12623
  };
12630
12624
  _.compare_0 = function compare_3(r1, r2) {
12631
- return this.compare_1(castTo(r1, 157), castTo(r2, 157));
12625
+ return this.compare_1(castTo(r1, 156), castTo(r2, 156));
12632
12626
  };
12633
12627
  _.equals_0 = function equals_1(other) {
12634
12628
  return getClassPrototype(1).equals_0.call(this, other);
@@ -12649,13 +12643,13 @@ function getExports($wnd) {
12649
12643
  Object_0.call(this);
12650
12644
  this.$init_10();
12651
12645
  }
12652
- defineClass(157, 1, { 157: 1, 1: 1 }, Canonizer$2RankObject);
12646
+ defineClass(156, 1, { 156: 1, 1: 1 }, Canonizer$2RankObject);
12653
12647
  _.$init_10 = function $init_10() {
12654
12648
  };
12655
12649
  _.index_0 = 0;
12656
12650
  _.parent_0 = 0;
12657
12651
  _.rank = 0;
12658
- var Lcom_actelion_research_chem_Canonizer$2RankObject_2_classLit = createForClass("com.actelion.research.chem", "Canonizer/2RankObject", 157, Ljava_lang_Object_2_classLit);
12652
+ var Lcom_actelion_research_chem_Canonizer$2RankObject_2_classLit = createForClass("com.actelion.research.chem", "Canonizer/2RankObject", 156, Ljava_lang_Object_2_classLit);
12659
12653
  function $clinit_Canonizer$ESRGroup() {
12660
12654
  $clinit_Canonizer$ESRGroup = emptyMethod;
12661
12655
  }
@@ -13692,14 +13686,14 @@ function getExports($wnd) {
13692
13686
  checkCriticalArgument_1(isNotNull(result), "Enum constant undefined: " + name_0);
13693
13687
  return result;
13694
13688
  }
13695
- defineClass(48, 1, { 4: 1, 24: 1, 48: 1, 1: 1 });
13689
+ defineClass(47, 1, { 4: 1, 24: 1, 47: 1, 1: 1 });
13696
13690
  _.$init_17 = function $init_17() {
13697
13691
  };
13698
13692
  _.compareTo_1 = function compareTo_4(other) {
13699
- return this.compareTo(castTo(other, 48));
13693
+ return this.compareTo(castTo(other, 47));
13700
13694
  };
13701
13695
  _.compareTo = function compareTo_3(other) {
13702
- return this.ordinal_0 - castTo(other, 48).ordinal_0;
13696
+ return this.ordinal_0 - castTo(other, 47).ordinal_0;
13703
13697
  };
13704
13698
  _.equals = function equals_3(other) {
13705
13699
  return maskUndefined(this) === maskUndefined(other);
@@ -13726,7 +13720,7 @@ function getExports($wnd) {
13726
13720
  return this.toString();
13727
13721
  };
13728
13722
  _.ordinal_0 = 0;
13729
- var Ljava_lang_Enum_2_classLit = createForClass("java.lang", "Enum", 48, Ljava_lang_Object_2_classLit);
13723
+ var Ljava_lang_Enum_2_classLit = createForClass("java.lang", "Enum", 47, Ljava_lang_Object_2_classLit);
13730
13724
  function $clinit_CanonizerUtil$IDCODE_TYPE() {
13731
13725
  $clinit_CanonizerUtil$IDCODE_TYPE = emptyMethod;
13732
13726
  $clinit_Enum();
@@ -13748,7 +13742,7 @@ function getExports($wnd) {
13748
13742
  $clinit_CanonizerUtil$IDCODE_TYPE();
13749
13743
  return stampJavaTypeInfo(getClassLiteralForArray(Lcom_actelion_research_chem_CanonizerUtil$IDCODE_1TYPE_2_classLit, 1), { 4: 1, 1: 1, 7: 1 }, 126, 0, [NORMAL, NOSTEREO, BACKBONE, TAUTOMER, NOSTEREO_TAUTOMER]);
13750
13744
  }
13751
- defineClass(126, 48, { 126: 1, 4: 1, 24: 1, 48: 1, 1: 1 }, CanonizerUtil$IDCODE_TYPE);
13745
+ defineClass(126, 47, { 126: 1, 4: 1, 24: 1, 47: 1, 1: 1 }, CanonizerUtil$IDCODE_TYPE);
13752
13746
  _.$init_18 = function $init_18() {
13753
13747
  };
13754
13748
  var BACKBONE, NORMAL, NOSTEREO, NOSTEREO_TAUTOMER, TAUTOMER;
@@ -14098,7 +14092,7 @@ function getExports($wnd) {
14098
14092
  Object_0.call(this);
14099
14093
  this.$init_21();
14100
14094
  }
14101
- defineClass(138, 1, { 1: 1, 30: 1 });
14095
+ defineClass(137, 1, { 1: 1, 30: 1 });
14102
14096
  _.$init_21 = function $init_21() {
14103
14097
  };
14104
14098
  _.forEach = function forEach(action) {
@@ -14220,7 +14214,7 @@ function getExports($wnd) {
14220
14214
  }
14221
14215
  return joiner.toString_0();
14222
14216
  };
14223
- var Ljava_util_AbstractCollection_2_classLit = createForClass("java.util", "AbstractCollection", 138, Ljava_lang_Object_2_classLit);
14217
+ var Ljava_util_AbstractCollection_2_classLit = createForClass("java.util", "AbstractCollection", 137, Ljava_lang_Object_2_classLit);
14224
14218
  function $clinit_List() {
14225
14219
  $clinit_List = emptyMethod;
14226
14220
  }
@@ -14306,7 +14300,7 @@ function getExports($wnd) {
14306
14300
  AbstractCollection.call(this);
14307
14301
  this.$init_22();
14308
14302
  }
14309
- defineClass(139, 138, { 1: 1, 30: 1, 56: 1 });
14303
+ defineClass(138, 137, { 1: 1, 30: 1, 56: 1 });
14310
14304
  _.$init_22 = function $init_22() {
14311
14305
  };
14312
14306
  _.replaceAll = function replaceAll(operator) {
@@ -14408,7 +14402,7 @@ function getExports($wnd) {
14408
14402
  _.subList = function subList(fromIndex, toIndex) {
14409
14403
  return new AbstractList$SubList(this, fromIndex, toIndex);
14410
14404
  };
14411
- var Ljava_util_AbstractList_2_classLit = createForClass("java.util", "AbstractList", 139, Ljava_util_AbstractCollection_2_classLit);
14405
+ var Ljava_util_AbstractList_2_classLit = createForClass("java.util", "AbstractList", 138, Ljava_util_AbstractCollection_2_classLit);
14412
14406
  function $clinit_Cloneable() {
14413
14407
  $clinit_Cloneable = emptyMethod;
14414
14408
  }
@@ -14442,7 +14436,7 @@ function getExports($wnd) {
14442
14436
  this.$init_23();
14443
14437
  checkArgument_0(initialCapacity >= 0, "Initial capacity must not be negative");
14444
14438
  }
14445
- defineClass(16, 139, { 4: 1, 1: 1, 16: 1, 30: 1, 56: 1, 128: 1 }, ArrayList, ArrayList_0);
14439
+ defineClass(16, 138, { 4: 1, 1: 1, 16: 1, 30: 1, 56: 1, 128: 1 }, ArrayList, ArrayList_0);
14446
14440
  _.$init_23 = function $init_23() {
14447
14441
  this.array = castToArray(initUnidimensionalArray(Ljava_lang_Object_2_classLit, { 4: 1, 1: 1, 7: 1 }, 1, 0, 5, 1));
14448
14442
  };
@@ -14701,7 +14695,7 @@ function getExports($wnd) {
14701
14695
  }
14702
14696
  }
14703
14697
  }
14704
- defineClass(133, 1, { 1: 1 }, EZHalfParity);
14698
+ defineClass(132, 1, { 1: 1 }, EZHalfParity);
14705
14699
  _.$init_26 = function $init_26() {
14706
14700
  };
14707
14701
  _.getValue = function getValue() {
@@ -14748,7 +14742,7 @@ function getExports($wnd) {
14748
14742
  _.mRemoteAxialAtom = 0;
14749
14743
  _.mStereoBondFound = false;
14750
14744
  _.mValue = 0;
14751
- var Lcom_actelion_research_chem_EZHalfParity_2_classLit = createForClass("com.actelion.research.chem", "EZHalfParity", 133, Ljava_lang_Object_2_classLit);
14745
+ var Lcom_actelion_research_chem_EZHalfParity_2_classLit = createForClass("com.actelion.research.chem", "EZHalfParity", 132, Ljava_lang_Object_2_classLit);
14752
14746
  function $clinit_Element() {
14753
14747
  $clinit_Element = emptyMethod;
14754
14748
  $clinit_Object();
@@ -15236,7 +15230,7 @@ function getExports($wnd) {
15236
15230
  }
15237
15231
  function copyOf_1(original, newLength) {
15238
15232
  var copy, i;
15239
- copy = initUnidimensionalArray(Lcom_actelion_research_chem_Coordinates_2_classLit, { 152: 1, 4: 1, 1: 1, 7: 1 }, 33, newLength, 0, 1);
15233
+ copy = initUnidimensionalArray(Lcom_actelion_research_chem_Coordinates_2_classLit, { 151: 1, 4: 1, 1: 1, 7: 1 }, 33, newLength, 0, 1);
15240
15234
  for (i = 0; i < original.length; i++)
15241
15235
  if (isNotNull(original[i]))
15242
15236
  copy[i] = new Coordinates_2(original[i]);
@@ -15710,33 +15704,32 @@ function getExports($wnd) {
15710
15704
  return -$wnd.Math.atan2(v2.getLength() * v1.dot(n2), n1.dot(n2));
15711
15705
  };
15712
15706
  _.changeAtom_0 = function changeAtom(atom, atomicNo, mass, abnormalValence, radical) {
15713
- var changed;
15707
+ var isAtomicNoChange;
15714
15708
  if ((atomicNo == 1 || atomicNo == 151 || atomicNo == 152) && this.getOccupiedValence_0(atom) > 1)
15715
15709
  return false;
15716
- changed = this.mIsFragment && neq(and_0(this.mAtomQueryFeatures[atom], not_0(1)), 0);
15717
- this.mAtomQueryFeatures[atom] = and_0(this.mAtomQueryFeatures[atom], not_0(1));
15718
- if (jsNotEquals(this.mAtomList, null) && jsNotEquals(this.mAtomList[atom], null)) {
15719
- this.mAtomList[atom] = null;
15720
- changed = true;
15721
- }
15722
- if (jsNotEquals(this.mAtomCustomLabel, null) && jsNotEquals(this.mAtomCustomLabel[atom], null)) {
15723
- this.mAtomCustomLabel[atom] = null;
15724
- changed = true;
15725
- }
15726
- if (atomicNo == this.mAtomicNo[atom] && mass == this.mAtomMass[atom] && abnormalValence == this.getAtomAbnormalValence_0(atom) && radical == this.getAtomRadical_0(atom))
15727
- return changed;
15728
15710
  if (atomicNo == 151 || atomicNo == 152) {
15729
15711
  mass = atomicNo - 149;
15730
15712
  atomicNo = 1;
15731
15713
  }
15732
- this.mAtomFlags[atom] &= 448 | 512;
15733
- this.mAtomicNo[atom] = atomicNo;
15714
+ isAtomicNoChange = atomicNo != this.mAtomicNo[atom] && (!this.mIsFragment || eq(and_0(this.mAtomQueryFeatures[atom], 1), 0) && (jsEquals(this.mAtomList, null) || jsEquals(this.mAtomList[atom], null)));
15715
+ if (isAtomicNoChange) {
15716
+ this.mAtomQueryFeatures[atom] = 0;
15717
+ if (jsNotEquals(this.mAtomList, null) && jsNotEquals(this.mAtomList[atom], null))
15718
+ this.mAtomList[atom] = null;
15719
+ if (jsNotEquals(this.mAtomCustomLabel, null) && jsNotEquals(this.mAtomCustomLabel[atom], null))
15720
+ this.mAtomCustomLabel[atom] = null;
15721
+ } else if (mass == this.mAtomMass[atom] && abnormalValence == this.getAtomAbnormalValence_0(atom) && radical == this.getAtomRadical_0(atom)) {
15722
+ return false;
15723
+ }
15724
+ if (isAtomicNoChange) {
15725
+ this.mAtomicNo[atom] = atomicNo;
15726
+ this.mAtomFlags[atom] &= 448 | 512;
15727
+ this.mAtomCharge[atom] = 0;
15728
+ this.removeMappingNo(this.mAtomMapNo[atom]);
15729
+ }
15734
15730
  this.mAtomMass[atom] = mass;
15735
- this.mAtomCharge[atom] = 0;
15736
- this.mAtomQueryFeatures[atom] = 0;
15737
15731
  this.setAtomAbnormalValence_0(atom, abnormalValence);
15738
15732
  this.setAtomRadical_0(atom, radical);
15739
- this.removeMappingNo(this.mAtomMapNo[atom]);
15740
15733
  this.mValidHelperArrays = 0;
15741
15734
  return true;
15742
15735
  };
@@ -16538,7 +16531,7 @@ function getExports($wnd) {
16538
16531
  this.mAtomicNo = initUnidimensionalArray(I_classLit, { 6: 1, 4: 1, 1: 1 }, 5, this.mMaxAtoms, 15, 1);
16539
16532
  this.mAtomCharge = initUnidimensionalArray(I_classLit, { 6: 1, 4: 1, 1: 1 }, 5, this.mMaxAtoms, 15, 1);
16540
16533
  this.mAtomMapNo = initUnidimensionalArray(I_classLit, { 6: 1, 4: 1, 1: 1 }, 5, this.mMaxAtoms, 15, 1);
16541
- this.mCoordinates = initUnidimensionalArray(Lcom_actelion_research_chem_Coordinates_2_classLit, { 152: 1, 4: 1, 1: 1, 7: 1 }, 33, this.mMaxAtoms, 0, 1);
16534
+ this.mCoordinates = initUnidimensionalArray(Lcom_actelion_research_chem_Coordinates_2_classLit, { 151: 1, 4: 1, 1: 1, 7: 1 }, 33, this.mMaxAtoms, 0, 1);
16542
16535
  for (i = 0; i < this.mMaxAtoms; i++)
16543
16536
  this.mCoordinates[i] = new Coordinates_0();
16544
16537
  this.mAtomMass = initUnidimensionalArray(I_classLit, { 6: 1, 4: 1, 1: 1 }, 5, this.mMaxAtoms, 15, 1);
@@ -17414,7 +17407,7 @@ function getExports($wnd) {
17414
17407
  if (isNotNull(mol))
17415
17408
  mol.copyMolecule_0(this);
17416
17409
  }
17417
- defineClass(151, 62, { 62: 1, 4: 1, 1: 1 });
17410
+ defineClass(150, 62, { 62: 1, 4: 1, 1: 1 });
17418
17411
  _.$init_30 = function $init_30() {
17419
17412
  };
17420
17413
  _.addFragment_0 = function addFragment(sourceMol, rootAtom, atomMap) {
@@ -18385,17 +18378,27 @@ function getExports($wnd) {
18385
18378
  return implicitHydrogens;
18386
18379
  };
18387
18380
  _.getImplicitHydrogens_1 = function getImplicitHydrogens_0(atom) {
18388
- var delocalizedBonds, i, i0, maxValence, occupiedValence, valenceList;
18381
+ var delocalizedBonds, i, i0, i1, maxValence, occupiedValence, valenceList;
18389
18382
  if (this.mIsFragment && eq(and_0(this.mAtomQueryFeatures[atom], 2048), 0))
18390
18383
  return 0;
18391
18384
  if (!this.supportsImplicitHydrogen_0(atom))
18392
18385
  return 0;
18386
+ this.ensureHelperArrays_0(1);
18387
+ if (this.mIsFragment) {
18388
+ if (neq(and_0(this.mAtomQueryFeatures[atom], 1), 0))
18389
+ return 0;
18390
+ if (jsNotEquals(this.mAtomList, null) && jsNotEquals(this.mAtomList[atom], null) && this.mAtomList[atom].length > 1)
18391
+ return 0;
18392
+ for (i0 = 0; i0 < this.mAllConnAtoms[atom]; i0++)
18393
+ if (bitCount_1(this.mBondQueryFeatures[this.mConnBond[atom][i0]] & 127) > 1)
18394
+ return 0;
18395
+ }
18393
18396
  if (this.mAtomicNo[atom] == 0 || equals_Ljava_lang_Object__Z__devirtual$_2("*", this.getAtomCustomLabel_0(atom)))
18394
18397
  return this.mAllConnAtoms[atom] == 0 ? 1 : 0;
18395
- this.ensureHelperArrays_0(1);
18396
18398
  occupiedValence = 0;
18397
- for (i0 = 0; i0 < this.mAllConnAtoms[atom]; i0++)
18398
- occupiedValence += this.mConnBondOrder[atom][i0];
18399
+ for (i1 = 0; i1 < this.mAllConnAtoms[atom]; i1++)
18400
+ if (!this.mIsFragment || eq(and_0(this.mAtomQueryFeatures[this.mConnAtom[atom][i1]], 536870912), 0))
18401
+ occupiedValence += this.mConnBondOrder[atom][i1];
18399
18402
  if (this.mIsFragment) {
18400
18403
  delocalizedBonds = 1;
18401
18404
  for (i = 0; i < this.mConnAtoms[atom]; i++)
@@ -19909,7 +19912,7 @@ function getExports($wnd) {
19909
19912
  _.mAtoms = 0;
19910
19913
  _.mBonds = 0;
19911
19914
  var FISCHER_PROJECTION_LIMIT = 0, FISCHER_PROJECTION_RING_LIMIT = 24, cMaxConnAtoms = 16, serialVersionUID_2 = 537316094;
19912
- var Lcom_actelion_research_chem_ExtendedMolecule_2_classLit = createForClass("com.actelion.research.chem", "ExtendedMolecule", 151, Lcom_actelion_research_chem_Molecule_2_classLit);
19915
+ var Lcom_actelion_research_chem_ExtendedMolecule_2_classLit = createForClass("com.actelion.research.chem", "ExtendedMolecule", 150, Lcom_actelion_research_chem_Molecule_2_classLit);
19913
19916
  function $clinit_IDCodeParserWithoutCoordinateInvention() {
19914
19917
  $clinit_IDCodeParserWithoutCoordinateInvention = emptyMethod;
19915
19918
  $clinit_Object();
@@ -20747,7 +20750,7 @@ function getExports($wnd) {
20747
20750
  };
20748
20751
  _.inventCoordinates_0 = function inventCoordinates_0(mol) {
20749
20752
  var inventor;
20750
- inventor = new CoordinateInventor_0(this.mCoordinateMode);
20753
+ inventor = new CoordinateInventor(this.mCoordinateMode);
20751
20754
  inventor.setRandomSeed_0(78187493520);
20752
20755
  inventor.invent(mol);
20753
20756
  };
@@ -22104,9 +22107,9 @@ function getExports($wnd) {
22104
22107
  }
22105
22108
  return maxHydrogens;
22106
22109
  }
22107
- defineClass(797, 1, { 1: 1 });
22110
+ defineClass(796, 1, { 1: 1 });
22108
22111
  var cInitialMultiChargeFragmentMembers = 16;
22109
- var Lcom_actelion_research_chem_MoleculeNeutralizer_2_classLit = createForClass("com.actelion.research.chem", "MoleculeNeutralizer", 797, Ljava_lang_Object_2_classLit);
22112
+ var Lcom_actelion_research_chem_MoleculeNeutralizer_2_classLit = createForClass("com.actelion.research.chem", "MoleculeNeutralizer", 796, Ljava_lang_Object_2_classLit);
22110
22113
  function $clinit_MolfileCreator() {
22111
22114
  $clinit_MolfileCreator = emptyMethod;
22112
22115
  $clinit_Object();
@@ -22618,7 +22621,7 @@ function getExports($wnd) {
22618
22621
  else if (startsWith_Ljava_lang_String__Z__devirtual$(line, "M SED"))
22619
22622
  cl.label_0 = trim__Ljava_lang_String___devirtual$(substring_I_Ljava_lang_String___devirtual$(line, 11));
22620
22623
  }
22621
- defineClass(150, 1, { 1: 1 }, MolfileParser, MolfileParser_0);
22624
+ defineClass(149, 1, { 1: 1 }, MolfileParser, MolfileParser_0);
22622
22625
  _.$init_38 = function $init_38() {
22623
22626
  };
22624
22627
  _.TRACE = function TRACE(s) {
@@ -23685,7 +23688,7 @@ function getExports($wnd) {
23685
23688
  _.mMode = 0;
23686
23689
  _.mTreatAnyAsMetalBond = false;
23687
23690
  var ALLOWED_ATOM_LABELS = 0, ALLOWED_ATOM_LABELS_IN_LIST = 1, FIELD_NAME_CUSTOM_LABEL = "NOSEARCH_OCL_CUSTOM_LABEL", MODE_KEEP_HYDROGEN_MAP = 1, debug = false;
23688
- var Lcom_actelion_research_chem_MolfileParser_2_classLit = createForClass("com.actelion.research.chem", "MolfileParser", 150, Ljava_lang_Object_2_classLit);
23691
+ var Lcom_actelion_research_chem_MolfileParser_2_classLit = createForClass("com.actelion.research.chem", "MolfileParser", 149, Ljava_lang_Object_2_classLit);
23689
23692
  function $clinit_MolfileParser$CustomLabel() {
23690
23693
  $clinit_MolfileParser$CustomLabel = emptyMethod;
23691
23694
  $clinit_Object();
@@ -27118,14 +27121,14 @@ function getExports($wnd) {
27118
27121
  this.$init_49();
27119
27122
  this.atomicNo = -1;
27120
27123
  }
27121
- defineClass(468, 1, { 1: 1 }, SmilesAtomParser$AtomLabelInfo);
27124
+ defineClass(480, 1, { 1: 1 }, SmilesAtomParser$AtomLabelInfo);
27122
27125
  _.$init_49 = function $init_49() {
27123
27126
  };
27124
27127
  _.atomicNo = 0;
27125
27128
  _.labelLength = 0;
27126
27129
  _.mayBeAliphatic = false;
27127
27130
  _.mayBeAromatic = false;
27128
- var Lcom_actelion_research_chem_SmilesAtomParser$AtomLabelInfo_2_classLit = createForClass("com.actelion.research.chem", "SmilesAtomParser/AtomLabelInfo", 468, Ljava_lang_Object_2_classLit);
27131
+ var Lcom_actelion_research_chem_SmilesAtomParser$AtomLabelInfo_2_classLit = createForClass("com.actelion.research.chem", "SmilesAtomParser/AtomLabelInfo", 480, Ljava_lang_Object_2_classLit);
27129
27132
  function $clinit_SmilesAtomParser$SmilesRange() {
27130
27133
  $clinit_SmilesAtomParser$SmilesRange = emptyMethod;
27131
27134
  $clinit_Object();
@@ -27136,7 +27139,7 @@ function getExports($wnd) {
27136
27139
  this.$init_50();
27137
27140
  this.smiles = smiles;
27138
27141
  }
27139
- defineClass(469, 1, { 1: 1 }, SmilesAtomParser$SmilesRange);
27142
+ defineClass(481, 1, { 1: 1 }, SmilesAtomParser$SmilesRange);
27140
27143
  _.$init_50 = function $init_50() {
27141
27144
  };
27142
27145
  _.isRange = function isRange() {
@@ -27206,7 +27209,7 @@ function getExports($wnd) {
27206
27209
  _.max_0 = 0;
27207
27210
  _.min_0 = 0;
27208
27211
  _.pos = 0;
27209
- var Lcom_actelion_research_chem_SmilesAtomParser$SmilesRange_2_classLit = createForClass("com.actelion.research.chem", "SmilesAtomParser/SmilesRange", 469, Ljava_lang_Object_2_classLit);
27212
+ var Lcom_actelion_research_chem_SmilesAtomParser$SmilesRange_2_classLit = createForClass("com.actelion.research.chem", "SmilesAtomParser/SmilesRange", 481, Ljava_lang_Object_2_classLit);
27210
27213
  function $clinit_SmilesParser() {
27211
27214
  $clinit_SmilesParser = emptyMethod;
27212
27215
  $clinit_Object();
@@ -27230,7 +27233,7 @@ function getExports($wnd) {
27230
27233
  if (this.mMakeHydrogenExplicit)
27231
27234
  this.mCoordinateMode &= ~2;
27232
27235
  }
27233
- defineClass(131, 1, { 1: 1 }, SmilesParser2, SmilesParser_0);
27236
+ defineClass(159, 1, { 1: 1 }, SmilesParser2, SmilesParser_0);
27234
27237
  _.$init_51 = function $init_51() {
27235
27238
  };
27236
27239
  _.addConnection = function addConnection(a1, a2, bondType, pos1, pos2) {
@@ -27672,7 +27675,7 @@ function getExports($wnd) {
27672
27675
  atomMass = 0;
27673
27676
  }
27674
27677
  if (readStereoFeatures) {
27675
- parity = isNull(parityMap) ? null : castTo(parityMap.get(valueOf_12(fromAtom)), 134);
27678
+ parity = isNull(parityMap) ? null : castTo(parityMap.get(valueOf_12(fromAtom)), 133);
27676
27679
  if (isNotNull(parity))
27677
27680
  parity.addNeighbor(atom0, position, atomParser.getAtomicNo_1() == 1 && this.mMol.getAtomMass_0(atom0) == 0);
27678
27681
  if (atomParser.foundParities()) {
@@ -27803,10 +27806,10 @@ function getExports($wnd) {
27803
27806
  if (ringClosureAtom[number] == baseAtom[bracketLevel])
27804
27807
  throw toJs(new Exception_1("SmilesParser: ring closure to same atom"));
27805
27808
  if (readStereoFeatures && isNotNull(parityMap)) {
27806
- parity = castTo(parityMap.get(valueOf_12(ringClosureAtom[number])), 134);
27809
+ parity = castTo(parityMap.get(valueOf_12(ringClosureAtom[number])), 133);
27807
27810
  if (isNotNull(parity))
27808
27811
  parity.addNeighbor(baseAtom[bracketLevel], ringClosurePosition[number], false);
27809
- parity = castTo(parityMap.get(valueOf_12(baseAtom[bracketLevel])), 134);
27812
+ parity = castTo(parityMap.get(valueOf_12(baseAtom[bracketLevel])), 133);
27810
27813
  if (isNotNull(parity))
27811
27814
  parity.addNeighbor(ringClosureAtom[number], position - 1, false);
27812
27815
  }
@@ -27952,7 +27955,7 @@ function getExports($wnd) {
27952
27955
  this.assignKnownEZBondParities();
27953
27956
  if (isNotNull(parityMap)) {
27954
27957
  for (parity$iterator = parityMap.values().iterator(); parity$iterator.hasNext_0(); ) {
27955
- parity = castTo(parity$iterator.next_3(), 134);
27958
+ parity = castTo(parity$iterator.next_3(), 133);
27956
27959
  this.mMol.setAtomParity_0(handleHydrogenAtomMap[parity.mCentralAtom], parity.calculateParity(handleHydrogenAtomMap), false);
27957
27960
  }
27958
27961
  this.mMol.setParitiesValid_0(0);
@@ -27960,7 +27963,7 @@ function getExports($wnd) {
27960
27963
  }
27961
27964
  this.mMol.setParitiesValid_0(0);
27962
27965
  if (createCoordinates) {
27963
- inventor = new CoordinateInventor_0(this.mCoordinateMode);
27966
+ inventor = new CoordinateInventor(this.mCoordinateMode);
27964
27967
  if (neq(this.mRandomSeed, 0))
27965
27968
  inventor.setRandomSeed_0(this.mRandomSeed);
27966
27969
  inventor.invent(this.mMol);
@@ -28160,8 +28163,8 @@ function getExports($wnd) {
28160
28163
  _.mSingleDotSeparator = false;
28161
28164
  _.mSmartsFeatureFound = false;
28162
28165
  _.mSmartsMode = 0;
28163
- var BRACKET_LEVELS = 32, HYDROGEN_IMPLICIT_ZERO = 9, INITIAL_CONNECTIONS = 16, MAX_AROMATIC_RING_SIZE = 15, MAX_CONNECTIONS = 100, MODE_CREATE_SMARTS_WARNING = 64, MODE_ENUMERATE_SMARTS = 128, MODE_MAKE_HYDROGEN_EXPLICIT = 8, MODE_NO_CACTUS_SYNTAX = 16, MODE_SINGLE_DOT_SEPARATOR = 32, MODE_SKIP_COORDINATE_TEMPLATES = 4, SMARTS_MODE_GUESS = 1, SMARTS_MODE_IS_SMARTS = 2, SMARTS_MODE_IS_SMILES = 0, SMARTS_MODE_MASK = 3;
28164
- var Lcom_actelion_research_chem_SmilesParser_2_classLit = createForClass("com.actelion.research.chem", "SmilesParser", 131, Ljava_lang_Object_2_classLit);
28166
+ var BRACKET_LEVELS = 32, HYDROGEN_IMPLICIT_ZERO = 9, INITIAL_CONNECTIONS = 16, MAX_AROMATIC_RING_SIZE = 15, MAX_CONNECTIONS = 100, MODE_CREATE_SMARTS_WARNING = 64, MODE_ENUMERATE_SMARTS = 128, MODE_MAKE_HYDROGEN_EXPLICIT = 8, MODE_NO_CACTUS_SYNTAX = 16, MODE_NO_STACKTRACES = 256, MODE_SINGLE_DOT_SEPARATOR = 32, MODE_SKIP_COORDINATE_TEMPLATES = 4, SMARTS_MODE_GUESS = 1, SMARTS_MODE_IS_SMARTS = 2, SMARTS_MODE_IS_SMILES = 0, SMARTS_MODE_MASK = 3;
28167
+ var Lcom_actelion_research_chem_SmilesParser_2_classLit = createForClass("com.actelion.research.chem", "SmilesParser", 159, Ljava_lang_Object_2_classLit);
28165
28168
  function $clinit_SmilesParser$EnumerationPosition() {
28166
28169
  $clinit_SmilesParser$EnumerationPosition = emptyMethod;
28167
28170
  $clinit_Object();
@@ -28212,7 +28215,7 @@ function getExports($wnd) {
28212
28215
  this.addNeighbor(2147483646, centralAtomPosition + 1, false);
28213
28216
  }
28214
28217
  }
28215
- defineClass(134, 1, { 134: 1, 1: 1 }, SmilesParser$THParity);
28218
+ defineClass(133, 1, { 133: 1, 1: 1 }, SmilesParser$THParity);
28216
28219
  _.$init_53 = function $init_53() {
28217
28220
  };
28218
28221
  _.addNeighbor = function addNeighbor(atom, position, unused) {
@@ -28374,7 +28377,7 @@ function getExports($wnd) {
28374
28377
  _.mError = false;
28375
28378
  _.mIsClockwise = false;
28376
28379
  var PSEUDO_ATOM_HYDROGEN = 0, PSEUDO_ATOM_LONE_PAIR = 2147483647;
28377
- var Lcom_actelion_research_chem_SmilesParser$THParity_2_classLit = createForClass("com.actelion.research.chem", "SmilesParser/THParity", 134, Ljava_lang_Object_2_classLit);
28380
+ var Lcom_actelion_research_chem_SmilesParser$THParity_2_classLit = createForClass("com.actelion.research.chem", "SmilesParser/THParity", 133, Ljava_lang_Object_2_classLit);
28378
28381
  function $clinit_SmilesParser$THParity$ParityNeighbour() {
28379
28382
  $clinit_SmilesParser$THParity$ParityNeighbour = emptyMethod;
28380
28383
  $clinit_Object();
@@ -28506,7 +28509,7 @@ function getExports($wnd) {
28506
28509
  ExtendedMolecule_1.call(this, mol);
28507
28510
  this.$init_56();
28508
28511
  }
28509
- defineClass(17, 151, { 62: 1, 17: 1, 4: 1, 1: 1 }, StereoMolecule, StereoMolecule_0, StereoMolecule_1);
28512
+ defineClass(17, 150, { 62: 1, 17: 1, 4: 1, 1: 1 }, StereoMolecule, StereoMolecule_0, StereoMolecule_1);
28510
28513
  _.$init_56 = function $init_56() {
28511
28514
  };
28512
28515
  _.clear_0 = function clear_5() {
@@ -28523,11 +28526,11 @@ function getExports($wnd) {
28523
28526
  };
28524
28527
  _.ensureHelperArrays_0 = function ensureHelperArrays_0(required) {
28525
28528
  var atom, bond, rankBits, rankMode;
28526
- getClassPrototype(151).ensureHelperArrays_0.call(this, required);
28529
+ getClassPrototype(150).ensureHelperArrays_0.call(this, required);
28527
28530
  if ((required & ~this.mValidHelperArrays) == 0)
28528
28531
  return;
28529
28532
  if ((this.mValidHelperArrays & 15) != 0 && this.mAllAtoms > 1 && this.mCoordinates[0].equals_0(this.mCoordinates[1]))
28530
- new CoordinateInventor_0(0).invent(this);
28533
+ new CoordinateInventor(0).invent(this);
28531
28534
  if (this.mAssignParitiesToNitrogen)
28532
28535
  required |= 128;
28533
28536
  for (atom = 0; atom < this.getAllAtoms_0(); atom++)
@@ -28754,7 +28757,7 @@ function getExports($wnd) {
28754
28757
  };
28755
28758
  _.validate_0 = function validate_0() {
28756
28759
  var angle, atom, i, i0, j;
28757
- getClassPrototype(151).validate_0.call(this);
28760
+ getClassPrototype(150).validate_0.call(this);
28758
28761
  this.ensureHelperArrays_0(31);
28759
28762
  for (atom = 0; atom < this.getAtoms_0(); atom++) {
28760
28763
  if ((this.getAtomESRType_0(atom) == 1 || this.getAtomESRType_0(atom) == 2) && (!this.isAtomStereoCenter_0(atom) || this.getAtomParity_0(atom) == 3))
@@ -29040,7 +29043,7 @@ function getExports($wnd) {
29040
29043
  this.addTautomerIfNew(new TautomerHelper$BondOrders(this, this.mOriginalMol));
29041
29044
  tautomer = this.mOriginalMol.getCompactCopy_0();
29042
29045
  while (!this.mBondOrderDeque.isEmpty()) {
29043
- castTo(this.mBondOrderDeque.poll(), 144).copyToTautomer(tautomer);
29046
+ castTo(this.mBondOrderDeque.poll(), 143).copyToTautomer(tautomer);
29044
29047
  this.addAllTautomers(tautomer);
29045
29048
  if (this.mBondOrderSet.size() >= sMaxTautomers) {
29046
29049
  if (!sSuppressWarning)
@@ -29157,11 +29160,11 @@ function getExports($wnd) {
29157
29160
  for (i = 0; i < this$0.mOriginalMol.getBonds_0(); i++)
29158
29161
  this.encoding[i >> 4] |= $wnd.Math.min(3, mol.getBondOrder_0(i)) << 2 * (i & 15);
29159
29162
  }
29160
- defineClass(144, 1, { 144: 1, 24: 1, 1: 1 }, TautomerHelper$BondOrders);
29163
+ defineClass(143, 1, { 143: 1, 24: 1, 1: 1 }, TautomerHelper$BondOrders);
29161
29164
  _.$init_58 = function $init_58() {
29162
29165
  };
29163
29166
  _.compareTo_1 = function compareTo_12(o) {
29164
- return this.compareTo_6(castTo(o, 144));
29167
+ return this.compareTo_6(castTo(o, 143));
29165
29168
  };
29166
29169
  _.compareTo_6 = function compareTo_11(o) {
29167
29170
  return new IntArrayComparator().compare_2(this.encoding, o.encoding);
@@ -29182,7 +29185,7 @@ function getExports($wnd) {
29182
29185
  this.encoding[high] &= ~(3 << shift_0);
29183
29186
  this.encoding[high] |= order << shift_0;
29184
29187
  };
29185
- var Lcom_actelion_research_chem_TautomerHelper$BondOrders_2_classLit = createForClass("com.actelion.research.chem", "TautomerHelper/BondOrders", 144, Ljava_lang_Object_2_classLit);
29188
+ var Lcom_actelion_research_chem_TautomerHelper$BondOrders_2_classLit = createForClass("com.actelion.research.chem", "TautomerHelper/BondOrders", 143, Ljava_lang_Object_2_classLit);
29186
29189
  function $clinit_TextDrawingObject() {
29187
29190
  $clinit_TextDrawingObject = emptyMethod;
29188
29191
  $clinit_AbstractDrawingObject();
@@ -29386,7 +29389,7 @@ function getExports($wnd) {
29386
29389
  this.mSize = parseFloat_0(value_0);
29387
29390
  } catch ($e0) {
29388
29391
  $e0 = toJava($e0);
29389
- if (instanceOf($e0, 47)) {
29392
+ if (instanceOf($e0, 46)) {
29390
29393
  nfe = $e0;
29391
29394
  } else
29392
29395
  throw toJs($e0);
@@ -29398,7 +29401,7 @@ function getExports($wnd) {
29398
29401
  this.mStyle = parseInt_2(value_0);
29399
29402
  } catch ($e0) {
29400
29403
  $e0 = toJava($e0);
29401
- if (instanceOf($e0, 47)) {
29404
+ if (instanceOf($e0, 46)) {
29402
29405
  nfe = $e0;
29403
29406
  } else
29404
29407
  throw toJs($e0);
@@ -29418,7 +29421,7 @@ function getExports($wnd) {
29418
29421
  this.mPoint[0].x_0 = parseFloat_0(value_0);
29419
29422
  } catch ($e0) {
29420
29423
  $e0 = toJava($e0);
29421
- if (instanceOf($e0, 47)) {
29424
+ if (instanceOf($e0, 46)) {
29422
29425
  nfe = $e0;
29423
29426
  } else
29424
29427
  throw toJs($e0);
@@ -29430,7 +29433,7 @@ function getExports($wnd) {
29430
29433
  this.mPoint[0].y_0 = parseFloat_0(value_0);
29431
29434
  } catch ($e0) {
29432
29435
  $e0 = toJava($e0);
29433
- if (instanceOf($e0, 47)) {
29436
+ if (instanceOf($e0, 46)) {
29434
29437
  nfe = $e0;
29435
29438
  } else
29436
29439
  throw toJs($e0);
@@ -29960,7 +29963,7 @@ function getExports($wnd) {
29960
29963
  BOND_COUNT[i] = parseInt_2(item_0[3]);
29961
29964
  } catch ($e0) {
29962
29965
  $e0 = toJava($e0);
29963
- if (instanceOf($e0, 47)) {
29966
+ if (instanceOf($e0, 46)) {
29964
29967
  nfe = $e0;
29965
29968
  break;
29966
29969
  } else
@@ -30015,7 +30018,7 @@ function getExports($wnd) {
30015
30018
  Object_0.call(this);
30016
30019
  this.$init_63();
30017
30020
  this.mMol = mol;
30018
- this.mCoordinates = initUnidimensionalArray(Lcom_actelion_research_chem_Coordinates_2_classLit, { 152: 1, 4: 1, 1: 1, 7: 1 }, 33, mol.getAllAtoms_0(), 0, 1);
30021
+ this.mCoordinates = initUnidimensionalArray(Lcom_actelion_research_chem_Coordinates_2_classLit, { 151: 1, 4: 1, 1: 1, 7: 1 }, 33, mol.getAllAtoms_0(), 0, 1);
30019
30022
  for (atom = 0; atom < mol.getAllAtoms_0(); atom++)
30020
30023
  this.mCoordinates[atom] = new Coordinates_2(mol.getAtomCoordinates_0(atom));
30021
30024
  this.mEnergy = NaN;
@@ -30029,7 +30032,7 @@ function getExports($wnd) {
30029
30032
  Object_0.call(this);
30030
30033
  this.$init_63();
30031
30034
  this.mMol = mol;
30032
- this.mCoordinates = initUnidimensionalArray(Lcom_actelion_research_chem_Coordinates_2_classLit, { 152: 1, 4: 1, 1: 1, 7: 1 }, 33, c.mCoordinates.length, 0, 1);
30035
+ this.mCoordinates = initUnidimensionalArray(Lcom_actelion_research_chem_Coordinates_2_classLit, { 151: 1, 4: 1, 1: 1, 7: 1 }, 33, c.mCoordinates.length, 0, 1);
30033
30036
  for (i = 0; i < this.mCoordinates.length; i++)
30034
30037
  this.mCoordinates[i] = new Coordinates_2(c.mCoordinates[i]);
30035
30038
  if (jsNotEquals(c.mBondTorsion, null))
@@ -30397,7 +30400,7 @@ function getExports($wnd) {
30397
30400
  }
30398
30401
  return new BufferedReader(new InputStreamReader_0(getResourceAsStream("/resources/" + sDatabase + resourceName), ($clinit_StandardCharsets(), UTF_8)));
30399
30402
  }
30400
- defineClass(470, 1, { 1: 1 }, TorsionDB);
30403
+ defineClass(468, 1, { 1: 1 }, TorsionDB);
30401
30404
  _.$init_64 = function $init_64() {
30402
30405
  };
30403
30406
  _.getTorsionInfo = function getTorsionInfo(torsionID) {
@@ -30491,7 +30494,7 @@ function getExports($wnd) {
30491
30494
  _.mMergeSpan = 0;
30492
30495
  _.mSupportedModes = 0;
30493
30496
  var DATABASE_COD = "cod/", DATABASE_CSD = "csd/", DEFAULT_MERGE_SPAN = 15, MAX_SP_CHAIN_LENGTH = 15, MODE_ANGLES = 1, MODE_BINS = 2, TORSION_GREEN = 0, TORSION_NOT_FOUND = 0, TORSION_RED = 2, TORSION_YELLOW = 1, cBasePath = "/resources/", cTorsionAngleFile = "torsionAngle.txt", cTorsionBinsFile = "torsionBins.txt", cTorsionFrequencyFile = "torsionFrequency.txt", cTorsionIDFile = "torsionID.txt", cTorsionRangeFile = "torsionRange.txt", sDatabase, sExternalResourcePath, sInstance;
30494
- var Lcom_actelion_research_chem_conf_TorsionDB_2_classLit = createForClass("com.actelion.research.chem.conf", "TorsionDB", 470, Ljava_lang_Object_2_classLit);
30497
+ var Lcom_actelion_research_chem_conf_TorsionDB_2_classLit = createForClass("com.actelion.research.chem.conf", "TorsionDB", 468, Ljava_lang_Object_2_classLit);
30495
30498
  function $clinit_TorsionDescriptor() {
30496
30499
  $clinit_TorsionDescriptor = emptyMethod;
30497
30500
  $clinit_Object();
@@ -31984,11 +31987,7 @@ function getExports($wnd) {
31984
31987
  MODE_CONSIDER_MARKED_ATOMS = 4 | 8;
31985
31988
  TOTAL_FLIPS = 32 + 64 + 128;
31986
31989
  }
31987
- function CoordinateInventor() {
31988
- $clinit_CoordinateInventor();
31989
- CoordinateInventor_0.call(this, 2);
31990
- }
31991
- function CoordinateInventor_0(mode) {
31990
+ function CoordinateInventor(mode) {
31992
31991
  $clinit_CoordinateInventor();
31993
31992
  Object_0.call(this);
31994
31993
  this.$init_70();
@@ -32028,7 +32027,7 @@ function getExports($wnd) {
32028
32027
  return compare_26(c1, c2);
32029
32028
  }
32030
32029
  }
32031
- defineClass(86, 1, { 1: 1 }, CoordinateInventor, CoordinateInventor_0);
32030
+ defineClass(94, 1, { 1: 1 }, CoordinateInventor);
32032
32031
  _.$init_70 = function $init_70() {
32033
32032
  };
32034
32033
  _.addRingFragment = function addRingFragment(ringAtom, ringBond) {
@@ -33471,7 +33470,7 @@ function getExports($wnd) {
33471
33470
  _.mAbsoluteOrientationTemplateFound = false;
33472
33471
  _.mMode = 0;
33473
33472
  var FLIP_AS_LAST_RESORT = 1, FLIP_POSSIBLE = 2, FLIP_PREFERRED = 3, JOIN_DISTANCE_CHARGED_ATOMS = 1.399999976158142, JOIN_DISTANCE_METAL_BONDS = 1.2000000476837158, JOIN_DISTANCE_UNCHARGED_FRAGMENTS = 1.600000023841858, LAST_RESORT_FLIPS = 128, MODE_CONSIDER_MARKED_ATOMS = 0, MODE_DEFAULT = 2, MODE_KEEP_MARKED_ATOM_COORDS = 4, MODE_PREFER_MARKED_ATOM_COORDS = 8, MODE_REMOVE_HYDROGEN = 2, MODE_SKIP_DEFAULT_TEMPLATES = 1, POSSIBLE_FLIPS = 64, PREFERRED_FLIPS = 32, TOTAL_FLIPS = 0, sDefaultTemplateList;
33474
- var Lcom_actelion_research_chem_coords_CoordinateInventor_2_classLit = createForClass("com.actelion.research.chem.coords", "CoordinateInventor", 86, Ljava_lang_Object_2_classLit);
33473
+ var Lcom_actelion_research_chem_coords_CoordinateInventor_2_classLit = createForClass("com.actelion.research.chem.coords", "CoordinateInventor", 94, Ljava_lang_Object_2_classLit);
33475
33474
  function $clinit_CoordinateInventor$1() {
33476
33475
  $clinit_CoordinateInventor$1 = emptyMethod;
33477
33476
  $clinit_ArrayList();
@@ -34910,7 +34909,7 @@ function getExports($wnd) {
34910
34909
  this.$init_91();
34911
34910
  this.mHydrogenMap = this.getHandleHydrogenMap_0();
34912
34911
  rings = this.getRingSet_0();
34913
- this.mRingArom = initUnidimensionalArray(Lcom_actelion_research_chem_forcefield_mmff_RingBoolean_2_classLit, { 4: 1, 1: 1, 7: 1 }, 145, rings.getSize_0(), 0, 1);
34912
+ this.mRingArom = initUnidimensionalArray(Lcom_actelion_research_chem_forcefield_mmff_RingBoolean_2_classLit, { 4: 1, 1: 1, 7: 1 }, 144, rings.getSize_0(), 0, 1);
34914
34913
  fill_2(this.mRingArom, ($clinit_RingBoolean(), NOT_SET));
34915
34914
  allset = false;
34916
34915
  changed = true;
@@ -35098,20 +35097,20 @@ function getExports($wnd) {
35098
35097
  }
35099
35098
  function values_1() {
35100
35099
  $clinit_RingBoolean();
35101
- return stampJavaTypeInfo(getClassLiteralForArray(Lcom_actelion_research_chem_forcefield_mmff_RingBoolean_2_classLit, 1), { 4: 1, 1: 1, 7: 1 }, 145, 0, [TRUE, FALSE, NOT_SET]);
35100
+ return stampJavaTypeInfo(getClassLiteralForArray(Lcom_actelion_research_chem_forcefield_mmff_RingBoolean_2_classLit, 1), { 4: 1, 1: 1, 7: 1 }, 144, 0, [TRUE, FALSE, NOT_SET]);
35102
35101
  }
35103
- defineClass(145, 48, { 145: 1, 4: 1, 24: 1, 48: 1, 1: 1 }, RingBoolean);
35102
+ defineClass(144, 47, { 144: 1, 4: 1, 24: 1, 47: 1, 1: 1 }, RingBoolean);
35104
35103
  _.$init_93 = function $init_93() {
35105
35104
  };
35106
35105
  var FALSE, NOT_SET, TRUE;
35107
- var Lcom_actelion_research_chem_forcefield_mmff_RingBoolean_2_classLit = createForEnum("com.actelion.research.chem.forcefield.mmff", "RingBoolean", 145, Ljava_lang_Enum_2_classLit, values_1, valueOf_1);
35106
+ var Lcom_actelion_research_chem_forcefield_mmff_RingBoolean_2_classLit = createForEnum("com.actelion.research.chem.forcefield.mmff", "RingBoolean", 144, Ljava_lang_Enum_2_classLit, values_1, valueOf_1);
35108
35107
  function $clinit_RingBoolean$Map() {
35109
35108
  $clinit_RingBoolean$Map = emptyMethod;
35110
35109
  $MAP_0 = createValueOfMap(values_1());
35111
35110
  }
35112
- defineClass(801, 1, { 1: 1 });
35111
+ defineClass(800, 1, { 1: 1 });
35113
35112
  var $MAP_0;
35114
- var Lcom_actelion_research_chem_forcefield_mmff_RingBoolean$Map_2_classLit = createForClass("com.actelion.research.chem.forcefield.mmff", "RingBoolean/Map", 801, Ljava_lang_Object_2_classLit);
35113
+ var Lcom_actelion_research_chem_forcefield_mmff_RingBoolean$Map_2_classLit = createForClass("com.actelion.research.chem.forcefield.mmff", "RingBoolean/Map", 800, Ljava_lang_Object_2_classLit);
35115
35114
  function $clinit_Search() {
35116
35115
  $clinit_Search = emptyMethod;
35117
35116
  $clinit_Object();
@@ -35233,7 +35232,7 @@ function getExports($wnd) {
35233
35232
  $clinit_Separation$Relation();
35234
35233
  return stampJavaTypeInfo(getClassLiteralForArray(Lcom_actelion_research_chem_forcefield_mmff_Separation$Relation_2_classLit, 1), { 4: 1, 1: 1, 7: 1 }, 113, 0, [ONE_ONE, ONE_TWO, ONE_THREE, ONE_FOUR, ONE_X]);
35235
35234
  }
35236
- defineClass(113, 48, { 113: 1, 4: 1, 24: 1, 48: 1, 1: 1 }, Separation$Relation);
35235
+ defineClass(113, 47, { 113: 1, 4: 1, 24: 1, 47: 1, 1: 1 }, Separation$Relation);
35237
35236
  _.$init_95 = function $init_95() {
35238
35237
  };
35239
35238
  var ONE_FOUR, ONE_ONE, ONE_THREE, ONE_TWO, ONE_X;
@@ -35256,11 +35255,11 @@ function getExports($wnd) {
35256
35255
  this.a = a > b ? a : b;
35257
35256
  this.b = a > b ? b : a;
35258
35257
  }
35259
- defineClass(91, 1, { 91: 1, 24: 1, 1: 1 }, SortedPair);
35258
+ defineClass(90, 1, { 90: 1, 24: 1, 1: 1 }, SortedPair);
35260
35259
  _.$init_96 = function $init_96() {
35261
35260
  };
35262
35261
  _.compareTo_1 = function compareTo_18(that) {
35263
- return this.compareTo_9(castTo(that, 91));
35262
+ return this.compareTo_9(castTo(that, 90));
35264
35263
  };
35265
35264
  _.compareTo_9 = function compareTo_17(that) {
35266
35265
  if (this.a > that.a)
@@ -35277,9 +35276,9 @@ function getExports($wnd) {
35277
35276
  var that;
35278
35277
  if (maskUndefined(obj) === maskUndefined(this))
35279
35278
  return true;
35280
- if (!instanceOf(obj, 91))
35279
+ if (!instanceOf(obj, 90))
35281
35280
  return false;
35282
- that = castTo(obj, 91);
35281
+ that = castTo(obj, 90);
35283
35282
  return this.a == that.a && this.b == that.b;
35284
35283
  };
35285
35284
  _.hashCode_1 = function hashCode_3() {
@@ -35290,7 +35289,7 @@ function getExports($wnd) {
35290
35289
  };
35291
35290
  _.a = 0;
35292
35291
  _.b = 0;
35293
- var Lcom_actelion_research_chem_forcefield_mmff_SortedPair_2_classLit = createForClass("com.actelion.research.chem.forcefield.mmff", "SortedPair", 91, Ljava_lang_Object_2_classLit);
35292
+ var Lcom_actelion_research_chem_forcefield_mmff_SortedPair_2_classLit = createForClass("com.actelion.research.chem.forcefield.mmff", "SortedPair", 90, Ljava_lang_Object_2_classLit);
35294
35293
  function $clinit_StretchBend() {
35295
35294
  $clinit_StretchBend = emptyMethod;
35296
35295
  $clinit_Object();
@@ -35905,7 +35904,7 @@ function getExports($wnd) {
35905
35904
  this.$init_103();
35906
35905
  this.table = readIntsFile(csvpath);
35907
35906
  }
35908
- defineClass(480, 1, { 1: 1 }, Atom);
35907
+ defineClass(478, 1, { 1: 1 }, Atom);
35909
35908
  _.$init_103 = function $init_103() {
35910
35909
  };
35911
35910
  _.arom = function arom(type_0) {
@@ -35940,7 +35939,7 @@ function getExports($wnd) {
35940
35939
  _.val_0 = function val_0(type_0) {
35941
35940
  return this.table[this.index_2(type_0)][3];
35942
35941
  };
35943
- var Lcom_actelion_research_chem_forcefield_mmff_table_Atom_2_classLit = createForClass("com.actelion.research.chem.forcefield.mmff.table", "Atom", 480, Ljava_lang_Object_2_classLit);
35942
+ var Lcom_actelion_research_chem_forcefield_mmff_table_Atom_2_classLit = createForClass("com.actelion.research.chem.forcefield.mmff.table", "Atom", 478, Ljava_lang_Object_2_classLit);
35944
35943
  function $clinit_Bndk() {
35945
35944
  $clinit_Bndk = emptyMethod;
35946
35945
  $clinit_Object();
@@ -37448,8 +37447,8 @@ function getExports($wnd) {
37448
37447
  }
37449
37448
  return $clinit_RingBoolean(), TRUE;
37450
37449
  }
37451
- defineClass(802, 1, { 1: 1 });
37452
- var Lcom_actelion_research_chem_forcefield_mmff_type_Atom_2_classLit = createForClass("com.actelion.research.chem.forcefield.mmff.type", "Atom", 802, Ljava_lang_Object_2_classLit);
37450
+ defineClass(801, 1, { 1: 1 });
37451
+ var Lcom_actelion_research_chem_forcefield_mmff_type_Atom_2_classLit = createForClass("com.actelion.research.chem.forcefield.mmff.type", "Atom", 801, Ljava_lang_Object_2_classLit);
37453
37452
  function $clinit_Bond_0() {
37454
37453
  $clinit_Bond_0 = emptyMethod;
37455
37454
  $clinit_Object();
@@ -37668,8 +37667,8 @@ function getExports($wnd) {
37668
37667
  }
37669
37668
  return charges;
37670
37669
  }
37671
- defineClass(803, 1, { 1: 1 });
37672
- var Lcom_actelion_research_chem_forcefield_mmff_type_Charge_2_classLit = createForClass("com.actelion.research.chem.forcefield.mmff.type", "Charge", 803, Ljava_lang_Object_2_classLit);
37670
+ defineClass(802, 1, { 1: 1 });
37671
+ var Lcom_actelion_research_chem_forcefield_mmff_type_Charge_2_classLit = createForClass("com.actelion.research.chem.forcefield.mmff.type", "Charge", 802, Ljava_lang_Object_2_classLit);
37673
37672
  function $clinit_Torsion_0() {
37674
37673
  $clinit_Torsion_0 = emptyMethod;
37675
37674
  $clinit_Object();
@@ -38598,7 +38597,7 @@ function getExports($wnd) {
38598
38597
  Object_0.call(this);
38599
38598
  this.$init_127();
38600
38599
  }
38601
- defineClass(159, 1, { 1: 1 }, ParameterizedStringList);
38600
+ defineClass(158, 1, { 1: 1 }, ParameterizedStringList);
38602
38601
  _.$init_127 = function $init_127() {
38603
38602
  this.mList = new ArrayList();
38604
38603
  };
@@ -38615,7 +38614,7 @@ function getExports($wnd) {
38615
38614
  return castTo(this.mList.getAtIndex(i), 181).mType;
38616
38615
  };
38617
38616
  var cStringTypeDouble = 3, cStringTypeIDCode = 1, cStringTypeText = 2;
38618
- var Lcom_actelion_research_chem_prediction_ParameterizedStringList_2_classLit = createForClass("com.actelion.research.chem.prediction", "ParameterizedStringList", 159, Ljava_lang_Object_2_classLit);
38617
+ var Lcom_actelion_research_chem_prediction_ParameterizedStringList_2_classLit = createForClass("com.actelion.research.chem.prediction", "ParameterizedStringList", 158, Ljava_lang_Object_2_classLit);
38619
38618
  function $clinit_PolarSurfaceAreaPredictor() {
38620
38619
  $clinit_PolarSurfaceAreaPredictor = emptyMethod;
38621
38620
  $clinit_Object();
@@ -39583,7 +39582,7 @@ function getExports($wnd) {
39583
39582
  this.mPoint[0].x_0 = parseFloat_0(value_0);
39584
39583
  } catch ($e0) {
39585
39584
  $e0 = toJava($e0);
39586
- if (instanceOf($e0, 47)) {
39585
+ if (instanceOf($e0, 46)) {
39587
39586
  nfe = $e0;
39588
39587
  } else
39589
39588
  throw toJs($e0);
@@ -39593,7 +39592,7 @@ function getExports($wnd) {
39593
39592
  this.mPoint[0].y_0 = parseFloat_0(value_0);
39594
39593
  } catch ($e1) {
39595
39594
  $e1 = toJava($e1);
39596
- if (instanceOf($e1, 47)) {
39595
+ if (instanceOf($e1, 46)) {
39597
39596
  nfe = $e1;
39598
39597
  } else
39599
39598
  throw toJs($e1);
@@ -39603,7 +39602,7 @@ function getExports($wnd) {
39603
39602
  this.mPoint[1].x_0 = parseFloat_0(value_0);
39604
39603
  } catch ($e2) {
39605
39604
  $e2 = toJava($e2);
39606
- if (instanceOf($e2, 47)) {
39605
+ if (instanceOf($e2, 46)) {
39607
39606
  nfe = $e2;
39608
39607
  } else
39609
39608
  throw toJs($e2);
@@ -39613,7 +39612,7 @@ function getExports($wnd) {
39613
39612
  this.mPoint[1].y_0 = parseFloat_0(value_0);
39614
39613
  } catch ($e3) {
39615
39614
  $e3 = toJava($e3);
39616
- if (instanceOf($e3, 47)) {
39615
+ if (instanceOf($e3, 46)) {
39617
39616
  nfe = $e3;
39618
39617
  } else
39619
39618
  throw toJs($e3);
@@ -40485,7 +40484,7 @@ function getExports($wnd) {
40485
40484
  new AromaticityResolver(product).locateDelocalizedDoubleBonds(null);
40486
40485
  product.setParitiesValid_0(0);
40487
40486
  mode = 2 | (this.mRetainCoordinates ? 8 : 0);
40488
- new CoordinateInventor_0(mode).invent(product);
40487
+ new CoordinateInventor(mode).invent(product);
40489
40488
  if (isNotNull(racemicAtomList)) {
40490
40489
  product.ensureHelperArrays_0(15);
40491
40490
  for (atom$iterator = racemicAtomList.iterator(); atom$iterator.hasNext_0(); ) {
@@ -40677,14 +40676,14 @@ function getExports($wnd) {
40677
40676
  rule.finishProductOnly();
40678
40677
  this.mRuleList.add_10(rule);
40679
40678
  } else {
40680
- castTo(this.mRuleList.get_3(index_0), 88).finishWithProduct(rule);
40679
+ castTo(this.mRuleList.get_3(index_0), 87).finishWithProduct(rule);
40681
40680
  }
40682
40681
  }
40683
40682
  for (i0 = this.mRuleList.size_1() - 1; i0 >= 0; i0--) {
40684
- rule = castTo(this.mRuleList.get_3(i0), 88);
40683
+ rule = castTo(this.mRuleList.get_3(i0), 87);
40685
40684
  if (!rule.isFinished())
40686
40685
  rule.finishNoProduct();
40687
- else if (castTo(this.mRuleList.get_3(i0), 88).isNoChange())
40686
+ else if (castTo(this.mRuleList.get_3(i0), 87).isNoChange())
40688
40687
  this.mRuleList.remove_0(i0);
40689
40688
  }
40690
40689
  this.mMinFreeValence = initUnidimensionalArray(I_classLit, { 6: 1, 4: 1, 1: 1 }, 5, reactant.getAtoms_0(), 15, 1);
@@ -40707,7 +40706,7 @@ function getExports($wnd) {
40707
40706
  mol.ensureHelperArrays_0(1);
40708
40707
  matchAtom = castTo(this.mMatchList.getAtIndex(matchNo), 6);
40709
40708
  for (i = 0; i < this.mRuleList.size_1(); i++) {
40710
- rule = castTo(this.mRuleList.get_3(i), 88);
40709
+ rule = castTo(this.mRuleList.get_3(i), 87);
40711
40710
  rule.adaptBondOrder(mol, matchAtom);
40712
40711
  }
40713
40712
  mol.deleteMarkedAtomsAndBonds_0();
@@ -40772,11 +40771,11 @@ function getExports($wnd) {
40772
40771
  this.mBondQFTypes |= 1;
40773
40772
  this.mType = ($clinit_TransformerRule$TYPE(), UNKNOWN);
40774
40773
  }
40775
- defineClass(88, 1, { 88: 1, 24: 1, 1: 1 }, TransformerRule);
40774
+ defineClass(87, 1, { 87: 1, 24: 1, 1: 1 }, TransformerRule);
40776
40775
  _.$init_136 = function $init_136() {
40777
40776
  };
40778
40777
  _.compareTo_1 = function compareTo_20(o) {
40779
- return this.compareTo_10(castTo(o, 88));
40778
+ return this.compareTo_10(castTo(o, 87));
40780
40779
  };
40781
40780
  _.adaptBondOrder = function adaptBondOrder(mol, matchAtom) {
40782
40781
  var atom1, atom2, bond, targetBondOrder;
@@ -40811,7 +40810,7 @@ function getExports($wnd) {
40811
40810
  return 0;
40812
40811
  };
40813
40812
  _.equals_0 = function equals_16(o) {
40814
- return this.mMapNo1 == castTo(o, 88).mMapNo1 && this.mMapNo2 == castTo(o, 88).mMapNo2;
40813
+ return this.mMapNo1 == castTo(o, 87).mMapNo1 && this.mMapNo2 == castTo(o, 87).mMapNo2;
40815
40814
  };
40816
40815
  _.finishNoProduct = function finishNoProduct() {
40817
40816
  this.mType = ($clinit_TransformerRule$TYPE(), REMOVE);
@@ -40850,7 +40849,7 @@ function getExports($wnd) {
40850
40849
  _.mMapNo2 = 0;
40851
40850
  _.mTargetBondDif = 0;
40852
40851
  _.mTargetBondType = 0;
40853
- var Lcom_actelion_research_chem_reaction_TransformerRule_2_classLit = createForClass("com.actelion.research.chem.reaction", "TransformerRule", 88, Ljava_lang_Object_2_classLit);
40852
+ var Lcom_actelion_research_chem_reaction_TransformerRule_2_classLit = createForClass("com.actelion.research.chem.reaction", "TransformerRule", 87, Ljava_lang_Object_2_classLit);
40854
40853
  function $clinit_TransformerRule$TYPE() {
40855
40854
  $clinit_TransformerRule$TYPE = emptyMethod;
40856
40855
  $clinit_Enum();
@@ -40873,7 +40872,7 @@ function getExports($wnd) {
40873
40872
  $clinit_TransformerRule$TYPE();
40874
40873
  return stampJavaTypeInfo(getClassLiteralForArray(Lcom_actelion_research_chem_reaction_TransformerRule$TYPE_2_classLit, 1), { 4: 1, 1: 1, 7: 1 }, 114, 0, [CREATE, CHANGE_DIF, CHANGE_ABS, REMOVE, NO_CHANGE, UNKNOWN]);
40875
40874
  }
40876
- defineClass(114, 48, { 114: 1, 4: 1, 24: 1, 48: 1, 1: 1 }, TransformerRule$TYPE);
40875
+ defineClass(114, 47, { 114: 1, 4: 1, 24: 1, 47: 1, 1: 1 }, TransformerRule$TYPE);
40877
40876
  _.$init_137 = function $init_137() {
40878
40877
  };
40879
40878
  var CHANGE_ABS, CHANGE_DIF, CREATE, NO_CHANGE, REMOVE, UNKNOWN;
@@ -40946,7 +40945,7 @@ function getExports($wnd) {
40946
40945
  }
40947
40946
  }
40948
40947
  }
40949
- this.mRuleBonds = castTo(bondList.toArray_1(initUnidimensionalArray(Lcom_actelion_research_chem_reaction_mapping_ChemicalRuleBond_2_classLit, { 880: 1, 4: 1, 1: 1, 7: 1 }, 149, 0, 0, 1)), 880);
40948
+ this.mRuleBonds = castTo(bondList.toArray_1(initUnidimensionalArray(Lcom_actelion_research_chem_reaction_mapping_ChemicalRuleBond_2_classLit, { 880: 1, 4: 1, 1: 1, 7: 1 }, 148, 0, 0, 1)), 880);
40950
40949
  count = 0;
40951
40950
  for (atom3 = 0; atom3 < this.mReactant.getAtoms_0(); atom3++)
40952
40951
  if (this.mReactant.getAtomMapNo_0(atom3) == 0 && !this.mReactant.isExcludeGroupAtom(atom3))
@@ -41108,11 +41107,11 @@ function getExports($wnd) {
41108
41107
  }
41109
41108
  this.newBondType = newBondType;
41110
41109
  }
41111
- defineClass(149, 1, { 149: 1, 24: 1, 1: 1 }, ChemicalRuleBond);
41110
+ defineClass(148, 1, { 148: 1, 24: 1, 1: 1 }, ChemicalRuleBond);
41112
41111
  _.$init_139 = function $init_139() {
41113
41112
  };
41114
41113
  _.compareTo_1 = function compareTo_22(crb) {
41115
- return this.compareTo_11(castTo(crb, 149));
41114
+ return this.compareTo_11(castTo(crb, 148));
41116
41115
  };
41117
41116
  _.compareTo_11 = function compareTo_21(crb) {
41118
41117
  if (this.mapNo1 < crb.mapNo1)
@@ -41131,7 +41130,7 @@ function getExports($wnd) {
41131
41130
  _.mapNo2 = 0;
41132
41131
  _.newBondType = 0;
41133
41132
  var BOND_TYPE_DELETE = 0, BOND_TYPE_KEEP_UNCHANGED = 0;
41134
- var Lcom_actelion_research_chem_reaction_mapping_ChemicalRuleBond_2_classLit = createForClass("com.actelion.research.chem.reaction.mapping", "ChemicalRuleBond", 149, Ljava_lang_Object_2_classLit);
41133
+ var Lcom_actelion_research_chem_reaction_mapping_ChemicalRuleBond_2_classLit = createForClass("com.actelion.research.chem.reaction.mapping", "ChemicalRuleBond", 148, Ljava_lang_Object_2_classLit);
41135
41134
  function $clinit_ChemicalRuleEnhancedReactionMapper() {
41136
41135
  $clinit_ChemicalRuleEnhancedReactionMapper = emptyMethod;
41137
41136
  $clinit_Object();
@@ -43486,7 +43485,7 @@ function getExports($wnd) {
43486
43485
  break;
43487
43486
  case 12:
43488
43487
  if (realNeighbours <= 1)
43489
- queryFeatures = or_0(queryFeatures, or_0(or_0(131072, 1099511627776), 2097152));
43488
+ queryFeatures = or_0(queryFeatures, or_0(or_0(131072, 262144), 2097152));
43490
43489
  else if (realNeighbours <= 3)
43491
43490
  queryFeatures = or_0(queryFeatures, 2097152);
43492
43491
  break;
@@ -44061,7 +44060,7 @@ function getExports($wnd) {
44061
44060
  }
44062
44061
  } catch ($e0) {
44063
44062
  $e0 = toJava($e0);
44064
- if (instanceOf($e0, 47)) {
44063
+ if (instanceOf($e0, 46)) {
44065
44064
  nfe = $e0;
44066
44065
  this.mDialog.showMessage_0("Your mass is not a number!");
44067
44066
  return;
@@ -44079,7 +44078,7 @@ function getExports($wnd) {
44079
44078
  }
44080
44079
  } catch ($e1) {
44081
44080
  $e1 = toJava($e1);
44082
- if (instanceOf($e1, 47)) {
44081
+ if (instanceOf($e1, 46)) {
44083
44082
  nfe = $e1;
44084
44083
  this.mDialog.showMessage_0("Your valence is not a number!");
44085
44084
  return;
@@ -44173,7 +44172,7 @@ function getExports($wnd) {
44173
44172
  this.$init_155();
44174
44173
  this.mIsUserChange = isUserChange;
44175
44174
  }
44176
- defineClass(89, 183, { 89: 1, 1: 1 }, EditorEvent);
44175
+ defineClass(88, 183, { 88: 1, 1: 1 }, EditorEvent);
44177
44176
  _.$init_155 = function $init_155() {
44178
44177
  };
44179
44178
  _.isUserChange = function isUserChange_0() {
@@ -44181,7 +44180,7 @@ function getExports($wnd) {
44181
44180
  };
44182
44181
  _.mIsUserChange = false;
44183
44182
  var WHAT_HILITE_ATOM_CHANGED = 4, WHAT_HILITE_BOND_CHANGED = 8, WHAT_MOLECULE_CHANGED = 1, WHAT_SELECTION_CHANGED = 2, serialVersionUID_7 = 537462289;
44184
- var Lcom_actelion_research_gui_editor_EditorEvent_2_classLit = createForClass("com.actelion.research.gui.editor", "EditorEvent", 89, Lcom_actelion_research_gui_generic_GenericEvent_2_classLit);
44183
+ var Lcom_actelion_research_gui_editor_EditorEvent_2_classLit = createForClass("com.actelion.research.gui.editor", "EditorEvent", 88, Lcom_actelion_research_gui_generic_GenericEvent_2_classLit);
44185
44184
  function $clinit_GenericEditorArea() {
44186
44185
  $clinit_GenericEditorArea = emptyMethod;
44187
44186
  $clinit_Object();
@@ -44555,7 +44554,7 @@ function getExports($wnd) {
44555
44554
  if (selectedOnly)
44556
44555
  for (atom = 0; atom < this.mMol.getAllAtoms_0(); atom++)
44557
44556
  this.mMol.setAtomMarker_0(atom, !this.mMol.isSelectedAtom_0(atom));
44558
- new CoordinateInventor_0(selectedOnly ? 4 : 0).invent(this.mMol);
44557
+ new CoordinateInventor(selectedOnly ? 4 : 0).invent(this.mMol);
44559
44558
  if (selectedOnly)
44560
44559
  this.mMol.removeAtomMarkers_0();
44561
44560
  }
@@ -44574,7 +44573,7 @@ function getExports($wnd) {
44574
44573
  boundingRect = initUnidimensionalArray(Lcom_actelion_research_gui_generic_GenericRectangle_2_classLit, { 4: 1, 1: 1, 7: 1 }, 32, this.mFragment.length, 0, 1);
44575
44574
  for (fragment1 = 0; fragment1 < this.mFragment.length; fragment1++) {
44576
44575
  if (this.mUpdateMode == 6) {
44577
- new CoordinateInventor_0(selectedOnly ? 4 : 0).invent(this.mFragment[fragment1]);
44576
+ new CoordinateInventor(selectedOnly ? 4 : 0).invent(this.mFragment[fragment1]);
44578
44577
  this.mFragment[fragment1].setStereoBondsFromParity_0();
44579
44578
  }
44580
44579
  d = new GenericDepictor(this.mFragment[fragment1]);
@@ -44813,8 +44812,8 @@ function getExports($wnd) {
44813
44812
  _.eventHappened_0 = function eventHappened_6(e) {
44814
44813
  if (instanceOf(e, 81))
44815
44814
  this.eventHappened_1(castTo(e, 81));
44816
- else if (instanceOf(e, 135))
44817
- this.eventHappened_2(castTo(e, 135));
44815
+ else if (instanceOf(e, 134))
44816
+ this.eventHappened_2(castTo(e, 134));
44818
44817
  else if (instanceOf(e, 122))
44819
44818
  this.eventHappened_3(castTo(e, 122));
44820
44819
  };
@@ -45165,7 +45164,7 @@ function getExports($wnd) {
45165
45164
  for (atom = 0; atom < fragment.getAllAtoms_0(); atom++)
45166
45165
  fragment.setAtomMarker_0(atom, true);
45167
45166
  fragment.addSubstituent_0(substituent, 0);
45168
- new CoordinateInventor_0(4).invent(fragment);
45167
+ new CoordinateInventor(4).invent(fragment);
45169
45168
  dx = this.mMol.getAtomX_0(this.mCurrentHiliteAtom) - sourceAVBL * fragment.getAtomX_0(0);
45170
45169
  dy = this.mMol.getAtomY_0(this.mCurrentHiliteAtom) - sourceAVBL * fragment.getAtomY_0(0);
45171
45170
  firstAtomInMol = this.mMol.getAllAtoms_0();
@@ -46908,7 +46907,7 @@ function getExports($wnd) {
46908
46907
  this.what_1 = what_1;
46909
46908
  this.e_2 = e_2;
46910
46909
  }
46911
- defineClass(352, 1, { 1: 1, 132: 1 }, GenericEditorArea$lambda$6$Type);
46910
+ defineClass(352, 1, { 1: 1, 131: 1 }, GenericEditorArea$lambda$6$Type);
46912
46911
  _.run = function run() {
46913
46912
  this.$$outer_0.lambda$6(this.what_1, this.e_2);
46914
46913
  };
@@ -46970,8 +46969,8 @@ function getExports($wnd) {
46970
46969
  _.eventHappened_0 = function eventHappened_9(e) {
46971
46970
  if (instanceOf(e, 122))
46972
46971
  this.eventHappened_5(castTo(e, 122));
46973
- else if (instanceOf(e, 135))
46974
- this.eventHappened_4(castTo(e, 135));
46972
+ else if (instanceOf(e, 134))
46973
+ this.eventHappened_4(castTo(e, 134));
46975
46974
  };
46976
46975
  _.eventHappened_4 = function eventHappened_10(e) {
46977
46976
  var key;
@@ -47245,7 +47244,7 @@ function getExports($wnd) {
47245
47244
  textSize = parseInt_2(this.mComboBoxTextSize.getSelectedItem_0());
47246
47245
  } catch ($e0) {
47247
47246
  $e0 = toJava($e0);
47248
- if (instanceOf($e0, 47)) {
47247
+ if (instanceOf($e0, 46)) {
47249
47248
  nfe = $e0;
47250
47249
  this.mDialog.showMessage_0("Illegal text size.");
47251
47250
  return;
@@ -47366,22 +47365,22 @@ function getExports($wnd) {
47366
47365
  _.$init_160 = function $init_160() {
47367
47366
  };
47368
47367
  _.drawBlackLine = function drawBlackLine_0(theLine) {
47369
- castTo(this.mContext, 90).drawLine_1(theLine.x1, theLine.y1, theLine.x2, theLine.y2);
47368
+ castTo(this.mContext, 89).drawLine_1(theLine.x1, theLine.y1, theLine.x2, theLine.y2);
47370
47369
  };
47371
47370
  _.drawDottedLine_0 = function drawDottedLine_0(theLine) {
47372
- castTo(this.mContext, 90).drawDottedLine_1(theLine.x1, theLine.y1, theLine.x2, theLine.y2);
47371
+ castTo(this.mContext, 89).drawDottedLine_1(theLine.x1, theLine.y1, theLine.x2, theLine.y2);
47373
47372
  };
47374
47373
  _.drawPolygon_0 = function drawPolygon_0(p) {
47375
- castTo(this.mContext, 90).fillPolygon_0(p);
47374
+ castTo(this.mContext, 89).fillPolygon_0(p);
47376
47375
  };
47377
47376
  _.drawString_0 = function drawString_0(theString, x_0, y_0) {
47378
- castTo(this.mContext, 90).drawCenteredString_0(x_0, y_0, theString);
47377
+ castTo(this.mContext, 89).drawCenteredString_0(x_0, y_0, theString);
47379
47378
  };
47380
47379
  _.fillCircle_0 = function fillCircle_0(x_0, y_0, d) {
47381
- castTo(this.mContext, 90).fillCircle_0(x_0, y_0, d);
47380
+ castTo(this.mContext, 89).fillCircle_0(x_0, y_0, d);
47382
47381
  };
47383
47382
  _.getStringWidth = function getStringWidth_0(theString) {
47384
- return castTo(this.mContext, 90).getBounds_1(theString).getWidth_0();
47383
+ return castTo(this.mContext, 89).getBounds_1(theString).getWidth_0();
47385
47384
  };
47386
47385
  _.getTextSize = function getTextSize_0() {
47387
47386
  return this.mTextSize;
@@ -47430,7 +47429,7 @@ function getExports($wnd) {
47430
47429
  }
47431
47430
  }
47432
47431
  }
47433
- image = castTo(this.mContext, 90).createARGBImage_0(imageW, imageH);
47432
+ image = castTo(this.mContext, 89).createARGBImage_0(imageW, imageH);
47434
47433
  index_0 = 0;
47435
47434
  for (y_0 = 0; y_0 < imageH; y_0++) {
47436
47435
  for (x_0 = 0; x_0 < imageW; x_0++) {
@@ -47454,7 +47453,7 @@ function getExports($wnd) {
47454
47453
  image.setRGB_1(x_0, y_0, c);
47455
47454
  }
47456
47455
  }
47457
- castTo(this.mContext, 90).drawImage_0(image, imageX, imageY);
47456
+ castTo(this.mContext, 89).drawImage_0(image, imageX, imageY);
47458
47457
  };
47459
47458
  _.init = function init_6() {
47460
47459
  getClassPrototype(163).init.call(this);
@@ -47481,15 +47480,15 @@ function getExports($wnd) {
47481
47480
  };
47482
47481
  _.setLineWidth_0 = function setLineWidth_0(lineWidth) {
47483
47482
  this.mLineWidth = lineWidth;
47484
- castTo(this.mContext, 90).setLineWidth_1(this.mLineWidth);
47483
+ castTo(this.mContext, 89).setLineWidth_1(this.mLineWidth);
47485
47484
  };
47486
47485
  _.setRGB_0 = function setRGB_0(rgb) {
47487
- castTo(this.mContext, 90).setRGB_0(rgb);
47486
+ castTo(this.mContext, 89).setRGB_0(rgb);
47488
47487
  };
47489
47488
  _.setTextSize = function setTextSize_0(theSize) {
47490
47489
  this.mTextSize = theSize;
47491
47490
  if (jsNotEquals(this.mContext, null))
47492
- castTo(this.mContext, 90).setFont_0(theSize, false, false);
47491
+ castTo(this.mContext, 89).setFont_0(theSize, false, false);
47493
47492
  };
47494
47493
  _.mLineWidth = 0;
47495
47494
  _.mTextSize = 0;
@@ -47563,7 +47562,7 @@ function getExports($wnd) {
47563
47562
  this.mIsShiftDown = isShiftDown;
47564
47563
  this.mIsMenuShortcut = isMenuShortcut;
47565
47564
  }
47566
- defineClass(135, 183, { 135: 1, 1: 1 }, GenericKeyEvent);
47565
+ defineClass(134, 183, { 134: 1, 1: 1 }, GenericKeyEvent);
47567
47566
  _.$init_162 = function $init_162() {
47568
47567
  };
47569
47568
  _.getKey = function getKey() {
@@ -47584,7 +47583,7 @@ function getExports($wnd) {
47584
47583
  _.mIsShiftDown = false;
47585
47584
  _.mKey = 0;
47586
47585
  var KEY_ALT = 0, KEY_BACK_SPACE = 0, KEY_CTRL = 0, KEY_DELETE = 0, KEY_DOWN = 0, KEY_ENTER = 0, KEY_ESCAPE = 0, KEY_HELP = 0, KEY_LEFT = 0, KEY_PRESSED = 1, KEY_RELEASED = 2, KEY_RIGHT = 0, KEY_SHIFT = 0, KEY_UP = 0;
47587
- var Lcom_actelion_research_gui_generic_GenericKeyEvent_2_classLit = createForClass("com.actelion.research.gui.generic", "GenericKeyEvent", 135, Lcom_actelion_research_gui_generic_GenericEvent_2_classLit);
47586
+ var Lcom_actelion_research_gui_generic_GenericKeyEvent_2_classLit = createForClass("com.actelion.research.gui.generic", "GenericKeyEvent", 134, Lcom_actelion_research_gui_generic_GenericEvent_2_classLit);
47588
47587
  function $clinit_GenericLabel() {
47589
47588
  $clinit_GenericLabel = emptyMethod;
47590
47589
  }
@@ -47702,7 +47701,7 @@ function getExports($wnd) {
47702
47701
  this.mY = initUnidimensionalArray(D_classLit, { 11: 1, 4: 1, 1: 1 }, 5, size_0, 15, 1);
47703
47702
  this.mIndex = 0;
47704
47703
  }
47705
- defineClass(136, 1, { 1: 1 }, GenericPolygon, GenericPolygon_0);
47704
+ defineClass(135, 1, { 1: 1 }, GenericPolygon, GenericPolygon_0);
47706
47705
  _.$init_165 = function $init_165() {
47707
47706
  };
47708
47707
  _.addPoint = function addPoint(x_0, y_0) {
@@ -47742,7 +47741,7 @@ function getExports($wnd) {
47742
47741
  this.mIndex--;
47743
47742
  };
47744
47743
  _.mIndex = 0;
47745
- var Lcom_actelion_research_gui_generic_GenericPolygon_2_classLit = createForClass("com.actelion.research.gui.generic", "GenericPolygon", 136, Ljava_lang_Object_2_classLit);
47744
+ var Lcom_actelion_research_gui_generic_GenericPolygon_2_classLit = createForClass("com.actelion.research.gui.generic", "GenericPolygon", 135, Ljava_lang_Object_2_classLit);
47746
47745
  function $clinit_GenericPopupMenu() {
47747
47746
  $clinit_GenericPopupMenu = emptyMethod;
47748
47747
  }
@@ -48230,16 +48229,8 @@ function getExports($wnd) {
48230
48229
  function fromSmiles(smiles, options) {
48231
48230
  $clinit_JSMolecule();
48232
48231
  options = options || {};
48233
- var createCoordinates = !options.noCoordinates;
48234
- var readStereoFeatures = !options.noStereo;
48235
- return fromSmiles_0(smiles, createCoordinates, readStereoFeatures);
48236
- }
48237
- function fromSmiles_0(smiles, createCoordinates, readStereoFeatures) {
48238
- var mol, parser;
48239
- parser = new SmilesParser2();
48240
- mol = new JSMolecule();
48241
- parser.parse_9(mol.oclMolecule, getBytes___B__devirtual$(smiles), createCoordinates, readStereoFeatures);
48242
- return mol;
48232
+ var parser = new JSSmilesParser(options);
48233
+ return parser.parseMolecule(smiles, options);
48243
48234
  }
48244
48235
  function getAngle_3(x1, y1, x2, y2) {
48245
48236
  $clinit_JSMolecule();
@@ -48269,7 +48260,7 @@ function getExports($wnd) {
48269
48260
  $clinit_JSMolecule();
48270
48261
  setDefaultAverageBondLength(defaultAVBL);
48271
48262
  }
48272
- defineClass(46, 1, { 46: 1, 1: 1 }, JSMolecule, JSMolecule_0, JSMolecule_1);
48263
+ defineClass(48, 1, { 48: 1, 1: 1 }, JSMolecule, JSMolecule_0, JSMolecule_1);
48273
48264
  _.$init_174 = function $init_174() {
48274
48265
  };
48275
48266
  _.addAtom = function addAtom_3(atomicNo) {
@@ -48639,7 +48630,7 @@ function getExports($wnd) {
48639
48630
  _.getFragments = function getFragments_2() {
48640
48631
  var fragments, i, newFragments;
48641
48632
  fragments = this.oclMolecule.getFragments_0();
48642
- newFragments = initUnidimensionalArray(Lcom_actelion_research_gwt_js_api_JSMolecule_2_classLit, { 192: 1, 4: 1, 1: 1, 7: 1 }, 46, fragments.length, 0, 1);
48633
+ newFragments = initUnidimensionalArray(Lcom_actelion_research_gwt_js_api_JSMolecule_2_classLit, { 192: 1, 4: 1, 1: 1, 7: 1 }, 48, fragments.length, 0, 1);
48643
48634
  for (i = 0; i < fragments.length; i++) {
48644
48635
  setCheck(newFragments, i, new JSMolecule_1(fragments[i]));
48645
48636
  }
@@ -48769,13 +48760,29 @@ function getExports($wnd) {
48769
48760
  _.invalidateHelperArrays = function invalidateHelperArrays_0(helperBits) {
48770
48761
  this.oclMolecule.invalidateHelperArrays_0(helperBits);
48771
48762
  };
48772
- _.inventCoordinates = function inventCoordinates_1() {
48763
+ _.inventCoordinates_1 = function inventCoordinates_1(mode, seed) {
48773
48764
  var inventor;
48774
- inventor = new CoordinateInventor();
48775
- inventor.setRandomSeed_0(0);
48765
+ inventor = new CoordinateInventor(mode);
48766
+ if (seed >= 0) {
48767
+ inventor.setRandomSeed_0(fromInt_0(seed));
48768
+ }
48776
48769
  inventor.invent(this.oclMolecule);
48777
48770
  this.oclMolecule.setStereoBondsFromParity_0();
48778
48771
  };
48772
+ _.inventCoordinates = function inventCoordinates_2(options) {
48773
+ options = options || {};
48774
+ var mode = 0;
48775
+ if (options.skipDefaultTemplates)
48776
+ mode |= 1;
48777
+ if (options.keepHydrogens !== true)
48778
+ mode |= 2;
48779
+ if (options.keepMarkedAtomCoordinates)
48780
+ mode |= 4;
48781
+ if (options.preferMarkedAtomCoordinates)
48782
+ mode |= 8;
48783
+ var seed = options.seed || 0;
48784
+ this.inventCoordinates_1(mode, seed);
48785
+ };
48779
48786
  _.is3D = function is3D_0() {
48780
48787
  return this.oclMolecule.is3D_0();
48781
48788
  };
@@ -49142,7 +49149,7 @@ function getExports($wnd) {
49142
49149
  }
49143
49150
  mol = degenerated ? this.oclMolecule.getCompactCopy_0() : this.oclMolecule;
49144
49151
  if (degenerated) {
49145
- new CoordinateInventor_0(0).invent(mol);
49152
+ new CoordinateInventor(0).invent(mol);
49146
49153
  }
49147
49154
  mol.ensureHelperArrays_0(95);
49148
49155
  viewMode = getDepictorViewMode(options);
@@ -49182,7 +49189,7 @@ function getExports($wnd) {
49182
49189
  this.oclMolecule.zoomAndRotateInit_0(x_0, y_0);
49183
49190
  };
49184
49191
  var CANONIZER_ASSIGN_PARITIES_TO_TETRAHEDRAL_N = 32, CANONIZER_CONSIDER_DIASTEREOTOPICITY = 2, CANONIZER_CONSIDER_ENANTIOTOPICITY = 4, CANONIZER_CONSIDER_STEREOHETEROTOPICITY = 0, CANONIZER_COORDS_ARE_3D = 64, CANONIZER_CREATE_PSEUDO_STEREO_GROUPS = 128, CANONIZER_CREATE_SYMMETRY_RANK = 1, CANONIZER_DISTINGUISH_RACEMIC_OR_GROUPS = 256, CANONIZER_ENCODE_ATOM_CUSTOM_LABELS = 8, CANONIZER_ENCODE_ATOM_CUSTOM_LABELS_WITHOUT_RANKING = 1024, CANONIZER_ENCODE_ATOM_SELECTION = 16, CANONIZER_NEGLECT_ANY_STEREO_INFORMATION = 2048, CANONIZER_TIE_BREAK_FREE_VALENCE_ATOMS = 512, FISCHER_PROJECTION_LIMIT_0 = 0, FISCHER_PROJECTION_RING_LIMIT_0 = 24, STEREO_ANGLE_LIMIT = 0, VALIDATION_ERRORS_STEREO_0, VALIDATION_ERROR_AMBIGUOUS_CONFIGURATION_0 = "Ambiguous configuration at stereo center because of 2 parallel bonds", VALIDATION_ERROR_ESR_CENTER_UNKNOWN_0 = "Members of ESR groups must only be stereo centers with known configuration.", VALIDATION_ERROR_OVER_UNDER_SPECIFIED_0 = "Over- or under-specified stereo feature or more than one racemic type bond", cAtomCIPParityNone_0 = 0, cAtomCIPParityProblem_0 = 3, cAtomCIPParityRorM_0 = 1, cAtomCIPParitySorP_0 = 2, cAtomColorBlue_0 = 64, cAtomColorDarkGreen_0 = 384, cAtomColorDarkRed_0 = 448, cAtomColorGreen_0 = 192, cAtomColorMagenta_0 = 256, cAtomColorNone_0 = 0, cAtomColorOrange_0 = 320, cAtomColorRed_0 = 128, cAtomLabel_0, cAtomParity1_0 = 1, cAtomParity2_0 = 2, cAtomParityIsPseudo_0 = 4, cAtomParityNone_0 = 0, cAtomParityUnknown_0 = 3, cAtomQFAny_0 = 1, cAtomQFAromState_0 = { l: 6, m: 0, h: 4 }, cAtomQFAromStateBits_0 = 2, cAtomQFAromStateShift_0 = 1, cAtomQFAromatic_0 = 2, cAtomQFCharge_0 = 234881024, cAtomQFChargeBits_0 = 3, cAtomQFChargeShift_0 = 25, cAtomQFDepictedFeatures_0 = { l: 4186111, m: 4193407, h: 127 }, cAtomQFENeighbourBits_0 = 5, cAtomQFENeighbourShift_0 = 39, cAtomQFENeighbours_0 = 17042430230528, cAtomQFExcludeGroup_0 = 536870912, cAtomQFFlatNitrogen_0 = 268435456, cAtomQFHeteroAromatic_0 = { l: 0, m: 0, h: 4 }, cAtomQFHydrogen_0 = 1920, cAtomQFHydrogenBits_0 = 4, cAtomQFHydrogenShift_0 = 7, cAtomQFIsNotStereo_0 = { l: 0, m: 0, h: 2 }, cAtomQFIsStereo_0 = { l: 0, m: 0, h: 1 }, cAtomQFMatchStereo_0 = 8192, cAtomQFMoreNeighbours_0 = 4096, cAtomQFNarrowing_0 = { l: 4194302, m: 4193343, h: 7 }, cAtomQFNeighbourBits_0 = 5, cAtomQFNeighbourShift_0 = 17, cAtomQFNeighbours_0 = 4063232, cAtomQFNewRingSize_0 = 545460846592, cAtomQFNewRingSizeBits_0 = 7, cAtomQFNewRingSizeShift_0 = 32, cAtomQFNoMoreNeighbours_0 = 2048, cAtomQFNoOfBits_0 = 46, cAtomQFNot0ENeighbours_0 = 549755813888, cAtomQFNot0Hydrogen_0 = 128, cAtomQFNot0Neighbours_0 = 131072, cAtomQFNot0PiElectrons_0 = 16384, cAtomQFNot1ENeighbour_0 = 1099511627776, cAtomQFNot1Hydrogen_0 = 256, cAtomQFNot1Neighbour_0 = 262144, cAtomQFNot1PiElectron_0 = 32768, cAtomQFNot2ENeighbours_0 = 2199023255552, cAtomQFNot2Hydrogen_0 = 512, cAtomQFNot2Neighbours_0 = 524288, cAtomQFNot2PiElectrons_0 = 65536, cAtomQFNot2RingBonds_0 = 16, cAtomQFNot3ENeighbours_0 = 4398046511104, cAtomQFNot3Hydrogen_0 = 1024, cAtomQFNot3Neighbours_0 = 1048576, cAtomQFNot3RingBonds_0 = 32, cAtomQFNot4ENeighbours_0 = 8796093022208, cAtomQFNot4Neighbours_0 = 2097152, cAtomQFNot4RingBonds_0 = 64, cAtomQFNotAromatic_0 = 4, cAtomQFNotChain_0 = 8, cAtomQFNotCharge0_0 = 67108864, cAtomQFNotChargeNeg_0 = 33554432, cAtomQFNotChargePos_0 = 134217728, cAtomQFPiElectronBits_0 = 3, cAtomQFPiElectronShift_0 = 14, cAtomQFPiElectrons_0 = 114688, cAtomQFRingSize0_0 = 4294967296, cAtomQFRingSize3_0 = 8589934592, cAtomQFRingSize4_0 = 17179869184, cAtomQFRingSize5_0 = 34359738368, cAtomQFRingSize6_0 = 68719476736, cAtomQFRingSize7_0 = 137438953472, cAtomQFRingSizeLarge_0 = 274877906944, cAtomQFRingState_0 = 120, cAtomQFRingStateBits_0 = 4, cAtomQFRingStateShift_0 = 3, cAtomQFRxnParityBits_0 = 2, cAtomQFRxnParityHint_0 = 3221225472, cAtomQFRxnParityInvert_0 = 2147483648, cAtomQFRxnParityRacemize_0 = 3221225472, cAtomQFRxnParityRetain_0 = 1073741824, cAtomQFRxnParityShift_0 = 30, cAtomQFSimpleFeatures_0 = { l: 4179966, m: 4063288, h: 7 }, cAtomQFSmallRingSize_0 = 29360128, cAtomQFSmallRingSizeBits_0 = 3, cAtomQFSmallRingSizeShift_0 = 22, cAtomQFStereoState_0 = { l: 0, m: 0, h: 3 }, cAtomQFStereoStateBits_0 = 2, cAtomQFStereoStateShift_0 = 44, cAtomRadicalState_0 = 48, cAtomRadicalStateD_0 = 32, cAtomRadicalStateNone_0 = 0, cAtomRadicalStateS_0 = 16, cAtomRadicalStateShift_0 = 4, cAtomRadicalStateT_0 = 48, cAtomValence_0, cBondCIPParityEorP_0 = 1, cBondCIPParityNone_0 = 0, cBondCIPParityProblem_0 = 3, cBondCIPParityZorM_0 = 2, cBondFlagsHelper2_0 = 704, cBondFlagsHelper3_0 = 63, cBondParityEor1_0 = 1, cBondParityNone_0 = 0, cBondParityUnknown_0 = 3, cBondParityZor2_0 = 2, cBondQFAllFeatures_0 = 16777215, cBondQFAromState_0 = 6291456, cBondQFAromStateBits_0 = 2, cBondQFAromStateShift_0 = 21, cBondQFAromatic_0 = 2097152, cBondQFBondTypes_0 = 31, cBondQFBondTypesBits_0 = 5, cBondQFBondTypesShift_0 = 0, cBondQFBridge_0 = 130560, cBondQFBridgeBits_0 = 8, cBondQFBridgeMin_0 = 7680, cBondQFBridgeMinBits_0 = 4, cBondQFBridgeMinShift_0 = 9, cBondQFBridgeShift_0 = 9, cBondQFBridgeSpan_0 = 122880, cBondQFBridgeSpanBits_0 = 4, cBondQFBridgeSpanShift_0 = 13, cBondQFDelocalized = 8, cBondQFDepictedFeatures_0 = 8388480, cBondQFDouble = 2, cBondQFMatchFormalOrder_0 = 8388608, cBondQFMatchStereo_0 = 1048576, cBondQFMetalLigand = 16, cBondQFNarrowing_0 = 6291840, cBondQFNoOfBits_0 = 23, cBondQFNotAromatic_0 = 4194304, cBondQFNotRing_0 = 128, cBondQFQuadruple = 32, cBondQFQuintuple = 64, cBondQFRareBondTypes_0 = 96, cBondQFRareBondTypesBits_0 = 2, cBondQFRareBondTypesShift_0 = 5, cBondQFRing_0 = 256, cBondQFRingSize_0 = 917504, cBondQFRingSizeBits_0 = 3, cBondQFRingSizeShift_0 = 17, cBondQFRingState_0 = 384, cBondQFRingStateBits_0 = 2, cBondQFRingStateShift_0 = 7, cBondQFSimpleFeatures_0 = 6291967, cBondQFSingle = 1, cBondQFTriple = 4, cBondTypeCross_0 = 386, cBondTypeDeleted_0 = 512, cBondTypeDelocalized_0 = 8, cBondTypeDouble_0 = 2, cBondTypeDown_0 = 129, cBondTypeIncreaseOrder_0 = 511, cBondTypeMaskSimple_0 = 127, cBondTypeMaskStereo_0 = 384, cBondTypeMetalLigand_0 = 16, cBondTypeQuadruple_0 = 32, cBondTypeQuintuple_0 = 64, cBondTypeSingle_0 = 1, cBondTypeTriple_0 = 4, cBondTypeUp_0 = 257, cChiralityDiastereomers_0 = 458752, cChiralityEpimers_0 = 393216, cChiralityIsomerCountMask_0 = 65535, cChiralityKnownEnantiomer_0 = 262144, cChiralityMeso_0 = 131072, cChiralityNotChiral_0 = 65536, cChiralityRacemic_0 = 196608, cChiralityUnknown_0 = 0, cChiralityUnknownEnantiomer_0 = 327680, cCommonOxidationState_0, cDefaultAVBL_0 = 24, cDefaultAllowedPseudoAtoms_0 = 0, cDefaultAtomValence_0 = 6, cESRGroupBits_0 = 5, cESRMaxGroups_0 = 32, cESRTypeAbs_0 = 0, cESRTypeAnd_0 = 1, cESRTypeOr_0 = 2, cHelperAll_0 = 255, cHelperBitCIP_0 = 16, cHelperBitIncludeNitrogenParities_0 = 128, cHelperBitNeighbours_0 = 1, cHelperBitParities_0 = 8, cHelperBitRings_0 = 4, cHelperBitRingsSimple_0 = 2, cHelperBitSymmetrySimple_0 = 32, cHelperBitSymmetryStereoHeterotopicity_0 = 64, cHelperBitsStereo_0 = 248, cHelperCIP_0 = 0, cHelperNeighbours_0 = 1, cHelperNone_0 = 0, cHelperParities_0 = 0, cHelperRings_0 = 0, cHelperRingsSimple_0 = 0, cHelperSymmetrySimple_0 = 0, cHelperSymmetryStereoHeterotopicity_0 = 0, cMaxAtomicNo_0 = 190, cMaxConnAtoms_0 = 16, cMoleculeColorDefault_0 = 0, cMoleculeColorNeutral_0 = 1, cPseudoAtomA_0 = 16, cPseudoAtomAttachmentPoint_0 = 256, cPseudoAtomPolymer_0 = 128, cPseudoAtomR_0 = 8, cPseudoAtomX_0 = 32, cPseudoAtomsAGroups_0 = 4, cPseudoAtomsAll_0 = 511, cPseudoAtomsAminoAcids_0 = 64, cPseudoAtomsHydrogenIsotops_0 = 1, cPseudoAtomsRGroups_0 = 2, cRoundedMass_0, rectangle;
49185
- var Lcom_actelion_research_gwt_js_api_JSMolecule_2_classLit = createForClass("com.actelion.research.gwt.js.api", "JSMolecule", 46, Ljava_lang_Object_2_classLit);
49192
+ var Lcom_actelion_research_gwt_js_api_JSMolecule_2_classLit = createForClass("com.actelion.research.gwt.js.api", "JSMolecule", 48, Ljava_lang_Object_2_classLit);
49186
49193
  function $clinit_JSMoleculeProperties() {
49187
49194
  $clinit_JSMoleculeProperties = emptyMethod;
49188
49195
  $clinit_PropertyCalculator();
@@ -49304,7 +49311,7 @@ function getExports($wnd) {
49304
49311
  parser = new RXNFileParser();
49305
49312
  return new JSReaction(parser.getReaction_1(rxn));
49306
49313
  }
49307
- function fromSmiles_1(smiles) {
49314
+ function fromSmiles_0(smiles) {
49308
49315
  $clinit_JSReaction();
49309
49316
  var reaction;
49310
49317
  reaction = new SmilesParser2().parseReaction_1(getBytes___B__devirtual$(smiles));
@@ -49499,9 +49506,9 @@ function getExports($wnd) {
49499
49506
  var i, j, jsProducts, products;
49500
49507
  products = this.reactor.getProducts_1();
49501
49508
  if (jsEquals(products, null) || products.length == 0) {
49502
- return initMultidimensionalArray(Lcom_actelion_research_gwt_js_api_JSMolecule_2_classLit, [{ 4: 1, 1: 1, 7: 1 }, { 192: 1, 4: 1, 1: 1, 7: 1 }], [192, 46], 0, [0, 0], 2);
49509
+ return initMultidimensionalArray(Lcom_actelion_research_gwt_js_api_JSMolecule_2_classLit, [{ 4: 1, 1: 1, 7: 1 }, { 192: 1, 4: 1, 1: 1, 7: 1 }], [192, 48], 0, [0, 0], 2);
49503
49510
  }
49504
- jsProducts = initMultidimensionalArray(Lcom_actelion_research_gwt_js_api_JSMolecule_2_classLit, [{ 4: 1, 1: 1, 7: 1 }, { 192: 1, 4: 1, 1: 1, 7: 1 }], [192, 46], 0, [products.length, products[0].length], 2);
49511
+ jsProducts = initMultidimensionalArray(Lcom_actelion_research_gwt_js_api_JSMolecule_2_classLit, [{ 4: 1, 1: 1, 7: 1 }, { 192: 1, 4: 1, 1: 1, 7: 1 }], [192, 48], 0, [products.length, products[0].length], 2);
49505
49512
  for (i = 0; i < products.length; i++) {
49506
49513
  for (j = 0; j < products[0].length; j++) {
49507
49514
  setCheck(jsProducts[i], j, new JSMolecule_1(products[i][j]));
@@ -50080,7 +50087,7 @@ function getExports($wnd) {
50080
50087
  _.$init_190 = function $init_190() {
50081
50088
  };
50082
50089
  _.eventHappened_0 = function eventHappened_15(e) {
50083
- this.eventHappened_6(castTo(e, 89));
50090
+ this.eventHappened_6(castTo(e, 88));
50084
50091
  };
50085
50092
  _.eventHappened_6 = function eventHappened_14(e) {
50086
50093
  this.this$01.callJsEventListener(e.getWhat(), e.isUserChange());
@@ -50093,7 +50100,7 @@ function getExports($wnd) {
50093
50100
  $clinit_JSEditorArea$lambda$0$Type();
50094
50101
  this.$$outer_0 = $$outer_0;
50095
50102
  }
50096
- defineClass(340, 1, { 1: 1, 132: 1 }, JSEditorArea$lambda$0$Type);
50103
+ defineClass(340, 1, { 1: 1, 131: 1 }, JSEditorArea$lambda$0$Type);
50097
50104
  _.run = function run_0() {
50098
50105
  this.$$outer_0.lambda$0_5();
50099
50106
  };
@@ -50183,7 +50190,7 @@ function getExports($wnd) {
50183
50190
  $clinit_JSEditorToolbar$lambda$0$Type();
50184
50191
  this.$$outer_0 = $$outer_0;
50185
50192
  }
50186
- defineClass(355, 1, { 1: 1, 132: 1 }, JSEditorToolbar$lambda$0$Type);
50193
+ defineClass(355, 1, { 1: 1, 131: 1 }, JSEditorToolbar$lambda$0$Type);
50187
50194
  _.run = function run_1() {
50188
50195
  this.$$outer_0.lambda$0_6();
50189
50196
  };
@@ -50560,7 +50567,7 @@ function getExports($wnd) {
50560
50567
  this.$init_198();
50561
50568
  this.mJsContext = jsContext;
50562
50569
  }
50563
- defineClass(242, 1, { 90: 1, 1: 1 }, JSDrawContext);
50570
+ defineClass(242, 1, { 89: 1, 1: 1 }, JSDrawContext);
50564
50571
  _.$init_198 = function $init_198() {
50565
50572
  };
50566
50573
  _.clearRect_0 = function clearRect(x_0, y_0, w, h) {
@@ -51571,7 +51578,7 @@ function getExports($wnd) {
51571
51578
  $clinit_CodeDownloadException$Reason();
51572
51579
  return stampJavaTypeInfo(getClassLiteralForArray(Lcom_google_gwt_core_client_CodeDownloadException$Reason_2_classLit, 1), { 4: 1, 1: 1, 7: 1 }, 227, 0, [TERMINATED]);
51573
51580
  }
51574
- defineClass(227, 48, { 227: 1, 4: 1, 24: 1, 48: 1, 1: 1 }, CodeDownloadException$Reason);
51581
+ defineClass(227, 47, { 227: 1, 4: 1, 24: 1, 47: 1, 1: 1 }, CodeDownloadException$Reason);
51575
51582
  _.$init_211 = function $init_211() {
51576
51583
  };
51577
51584
  var TERMINATED;
@@ -54200,15 +54207,15 @@ function getExports($wnd) {
54200
54207
  Object_0.call(this);
54201
54208
  this.$init_251();
54202
54209
  }
54203
- defineClass(92, 1, { 92: 1, 1: 1 });
54210
+ defineClass(91, 1, { 91: 1, 1: 1 });
54204
54211
  _.$init_251 = function $init_251() {
54205
54212
  };
54206
54213
  _.equals_0 = function equals_20(obj) {
54207
54214
  var p2d;
54208
54215
  if (maskUndefined(this) === maskUndefined(obj))
54209
54216
  return true;
54210
- if (instanceOf(obj, 92)) {
54211
- p2d = castTo(obj, 92);
54217
+ if (instanceOf(obj, 91)) {
54218
+ p2d = castTo(obj, 91);
54212
54219
  return this.getX_2() == p2d.getX_2() && this.getY_2() == p2d.getY_2();
54213
54220
  }
54214
54221
  return getClassPrototype(1).equals_0.call(this, obj);
@@ -54218,7 +54225,7 @@ function getExports($wnd) {
54218
54225
  sum = this.getX_2() + this.getY_2();
54219
54226
  return round_int(sum) * 37;
54220
54227
  };
54221
- var Ljava_awt_geom_Point2D_2_classLit = createForClass("java.awt.geom", "Point2D", 92, Ljava_lang_Object_2_classLit);
54228
+ var Ljava_awt_geom_Point2D_2_classLit = createForClass("java.awt.geom", "Point2D", 91, Ljava_lang_Object_2_classLit);
54222
54229
  function $clinit_Point() {
54223
54230
  $clinit_Point = emptyMethod;
54224
54231
  $clinit_Point2D();
@@ -54233,7 +54240,7 @@ function getExports($wnd) {
54233
54240
  this.x_0 = x_0;
54234
54241
  this.y_0 = y_0;
54235
54242
  }
54236
- defineClass(165, 92, { 165: 1, 92: 1, 1: 1 }, Point);
54243
+ defineClass(165, 91, { 165: 1, 91: 1, 1: 1 }, Point);
54237
54244
  _.$init_252 = function $init_252() {
54238
54245
  };
54239
54246
  _.equals_0 = function equals_21(obj) {
@@ -54242,7 +54249,7 @@ function getExports($wnd) {
54242
54249
  pt = castTo(obj, 165);
54243
54250
  return this.x_0 == pt.x_0 && this.y_0 == pt.y_0;
54244
54251
  }
54245
- return getClassPrototype(92).equals_0.call(this, obj);
54252
+ return getClassPrototype(91).equals_0.call(this, obj);
54246
54253
  };
54247
54254
  _.getX_2 = function getX_5() {
54248
54255
  return this.x_0;
@@ -54286,7 +54293,7 @@ function getExports($wnd) {
54286
54293
  this.x_0 = x_0;
54287
54294
  this.y_0 = y_0;
54288
54295
  }
54289
- defineClass(177, 92, { 92: 1, 177: 1, 4: 1, 1: 1 }, Point2D$Double, Point2D$Double_0);
54296
+ defineClass(177, 91, { 91: 1, 177: 1, 4: 1, 1: 1 }, Point2D$Double, Point2D$Double_0);
54290
54297
  _.$init_254 = function $init_254() {
54291
54298
  };
54292
54299
  _.getX_2 = function getX_6() {
@@ -54301,7 +54308,7 @@ function getExports($wnd) {
54301
54308
  function $clinit_Point2D$Float() {
54302
54309
  $clinit_Point2D$Float = emptyMethod;
54303
54310
  }
54304
- defineClass(806, 92, { 92: 1, 1: 1 });
54311
+ defineClass(806, 91, { 91: 1, 1: 1 });
54305
54312
  var Ljava_awt_geom_Point2D$Float_2_classLit = createForClass("java.awt.geom", "Point2D/Float", 806, Ljava_awt_geom_Point2D_2_classLit);
54306
54313
  function $clinit_RectangularShape() {
54307
54314
  $clinit_RectangularShape = emptyMethod;
@@ -54325,7 +54332,7 @@ function getExports($wnd) {
54325
54332
  RectangularShape.call(this);
54326
54333
  this.$init_256();
54327
54334
  }
54328
- defineClass(147, 484, { 147: 1, 1: 1 });
54335
+ defineClass(146, 484, { 146: 1, 1: 1 });
54329
54336
  _.$init_256 = function $init_256() {
54330
54337
  };
54331
54338
  _.contains_0 = function contains_9(x_0, y_0) {
@@ -54339,8 +54346,8 @@ function getExports($wnd) {
54339
54346
  if (maskUndefined(obj) === maskUndefined(this)) {
54340
54347
  return true;
54341
54348
  }
54342
- if (instanceOf(obj, 147)) {
54343
- r2d = castTo(obj, 147);
54349
+ if (instanceOf(obj, 146)) {
54350
+ r2d = castTo(obj, 146);
54344
54351
  return this.getX_2() == r2d.getX_2() && this.getY_2() == r2d.getY_2() && this.getWidth_0() == r2d.getWidth_0() && this.getHeight_0() == r2d.getHeight_0();
54345
54352
  }
54346
54353
  return false;
@@ -54354,7 +54361,7 @@ function getExports($wnd) {
54354
54361
  return toInt_0(bits) ^ toInt_0(shr_0(bits, 32));
54355
54362
  };
54356
54363
  var OUT_BOTTOM = 8, OUT_LEFT = 1, OUT_RIGHT = 4, OUT_TOP = 2;
54357
- var Ljava_awt_geom_Rectangle2D_2_classLit = createForClass("java.awt.geom", "Rectangle2D", 147, Ljava_awt_geom_RectangularShape_2_classLit);
54364
+ var Ljava_awt_geom_Rectangle2D_2_classLit = createForClass("java.awt.geom", "Rectangle2D", 146, Ljava_awt_geom_RectangularShape_2_classLit);
54358
54365
  function $clinit_Rectangle2D$Double() {
54359
54366
  $clinit_Rectangle2D$Double = emptyMethod;
54360
54367
  $clinit_Rectangle2D();
@@ -54365,7 +54372,7 @@ function getExports($wnd) {
54365
54372
  this.$init_257();
54366
54373
  this.setRect(x_0, y_0, w, h);
54367
54374
  }
54368
- defineClass(486, 147, { 147: 1, 1: 1 }, Rectangle2D$Double);
54375
+ defineClass(486, 146, { 146: 1, 1: 1 }, Rectangle2D$Double);
54369
54376
  _.$init_257 = function $init_257() {
54370
54377
  };
54371
54378
  _.getHeight_0 = function getHeight_4() {
@@ -54397,7 +54404,7 @@ function getExports($wnd) {
54397
54404
  function $clinit_Rectangle2D$Float() {
54398
54405
  $clinit_Rectangle2D$Float = emptyMethod;
54399
54406
  }
54400
- defineClass(840, 147, { 147: 1, 1: 1 });
54407
+ defineClass(840, 146, { 146: 1, 1: 1 });
54401
54408
  var Ljava_awt_geom_Rectangle2D$Float_2_classLit = createForClass("java.awt.geom", "Rectangle2D/Float", 840, Ljava_awt_geom_Rectangle2D_2_classLit);
54402
54409
  function $clinit_BufferedImage() {
54403
54410
  $clinit_BufferedImage = emptyMethod;
@@ -55005,7 +55012,7 @@ function getExports($wnd) {
55005
55012
  this.$init_272();
55006
55013
  this.string = string;
55007
55014
  }
55008
- defineClass(155, 1, { 153: 1, 1: 1 });
55015
+ defineClass(154, 1, { 152: 1, 1: 1 });
55009
55016
  _.$init_272 = function $init_272() {
55010
55017
  };
55011
55018
  _.chars = function chars_0() {
@@ -55069,7 +55076,7 @@ function getExports($wnd) {
55069
55076
  _.toString_0 = function toString_31() {
55070
55077
  return this.string;
55071
55078
  };
55072
- var Ljava_lang_AbstractStringBuilder_2_classLit = createForClass("java.lang", "AbstractStringBuilder", 155, Ljava_lang_Object_2_classLit);
55079
+ var Ljava_lang_AbstractStringBuilder_2_classLit = createForClass("java.lang", "AbstractStringBuilder", 154, Ljava_lang_Object_2_classLit);
55073
55080
  function $clinit_ArithmeticException() {
55074
55081
  $clinit_ArithmeticException = emptyMethod;
55075
55082
  $clinit_RuntimeException();
@@ -55136,11 +55143,11 @@ function getExports($wnd) {
55136
55143
  function valueOf_7(b) {
55137
55144
  return get_18(b);
55138
55145
  }
55139
- defineClass(137, 19, { 4: 1, 137: 1, 24: 1, 19: 1, 1: 1 }, Byte);
55146
+ defineClass(136, 19, { 4: 1, 136: 1, 24: 1, 19: 1, 1: 1 }, Byte);
55140
55147
  _.$init_280 = function $init_280() {
55141
55148
  };
55142
55149
  _.compareTo_1 = function compareTo_26(b) {
55143
- return this.compareTo_13(castTo(b, 137));
55150
+ return this.compareTo_13(castTo(b, 136));
55144
55151
  };
55145
55152
  _.byteValue = function byteValue_0() {
55146
55153
  return this.value_0;
@@ -55152,7 +55159,7 @@ function getExports($wnd) {
55152
55159
  return this.value_0;
55153
55160
  };
55154
55161
  _.equals_0 = function equals_23(o) {
55155
- return instanceOf(o, 137) && castTo(o, 137).value_0 == this.value_0;
55162
+ return instanceOf(o, 136) && castTo(o, 136).value_0 == this.value_0;
55156
55163
  };
55157
55164
  _.floatValue = function floatValue() {
55158
55165
  return this.value_0;
@@ -55174,11 +55181,11 @@ function getExports($wnd) {
55174
55181
  };
55175
55182
  _.value_0 = 0;
55176
55183
  var BYTES = 0, MAX_VALUE_0 = 0, MIN_VALUE_0 = 0, SIZE = 8, TYPE_0;
55177
- var Ljava_lang_Byte_2_classLit = createForClass("java.lang", "Byte", 137, Ljava_lang_Number_2_classLit);
55184
+ var Ljava_lang_Byte_2_classLit = createForClass("java.lang", "Byte", 136, Ljava_lang_Number_2_classLit);
55178
55185
  function $clinit_Byte$BoxedValues() {
55179
55186
  $clinit_Byte$BoxedValues = emptyMethod;
55180
55187
  $clinit_Object();
55181
- boxedValues = initUnidimensionalArray(Ljava_lang_Byte_2_classLit, { 4: 1, 1: 1, 7: 1 }, 137, 256, 0, 1);
55188
+ boxedValues = initUnidimensionalArray(Ljava_lang_Byte_2_classLit, { 4: 1, 1: 1, 7: 1 }, 136, 256, 0, 1);
55182
55189
  }
55183
55190
  function get_18(b) {
55184
55191
  $clinit_Byte$BoxedValues();
@@ -55579,7 +55586,7 @@ function getExports($wnd) {
55579
55586
  function $clinit_Character$CharSequenceAdapter() {
55580
55587
  $clinit_Character$CharSequenceAdapter = emptyMethod;
55581
55588
  }
55582
- defineClass(649, 1, { 153: 1, 1: 1 });
55589
+ defineClass(649, 1, { 152: 1, 1: 1 });
55583
55590
  var Ljava_lang_Character$CharSequenceAdapter_2_classLit = createForClass("java.lang", "Character/CharSequenceAdapter", 649, Ljava_lang_Object_2_classLit);
55584
55591
  function $clinit_Float() {
55585
55592
  $clinit_Float = emptyMethod;
@@ -55984,10 +55991,10 @@ function getExports($wnd) {
55984
55991
  $clinit_NumberFormatException();
55985
55992
  return new NumberFormatException("radix " + radix + " out of range");
55986
55993
  }
55987
- defineClass(47, 63, { 4: 1, 12: 1, 47: 1, 1: 1, 22: 1, 18: 1 }, NumberFormatException);
55994
+ defineClass(46, 63, { 4: 1, 12: 1, 46: 1, 1: 1, 22: 1, 18: 1 }, NumberFormatException);
55988
55995
  _.$init_294 = function $init_294() {
55989
55996
  };
55990
- var Ljava_lang_NumberFormatException_2_classLit = createForClass("java.lang", "NumberFormatException", 47, Ljava_lang_IllegalArgumentException_2_classLit);
55997
+ var Ljava_lang_NumberFormatException_2_classLit = createForClass("java.lang", "NumberFormatException", 46, Ljava_lang_IllegalArgumentException_2_classLit);
55991
55998
  function $clinit_Short() {
55992
55999
  $clinit_Short = emptyMethod;
55993
56000
  $clinit_Number();
@@ -56300,7 +56307,7 @@ function getExports($wnd) {
56300
56307
  AbstractStringBuilder.call(this, "");
56301
56308
  this.$init_301();
56302
56309
  }
56303
- defineClass(97, 155, { 153: 1, 1: 1 }, StringBuffer, StringBuffer_0);
56310
+ defineClass(97, 154, { 152: 1, 1: 1 }, StringBuffer, StringBuffer_0);
56304
56311
  _.$init_301 = function $init_301() {
56305
56312
  };
56306
56313
  _.append_0 = function append_0(x_0) {
@@ -56339,7 +56346,7 @@ function getExports($wnd) {
56339
56346
  AbstractStringBuilder.call(this, castToString(checkNotNull_0(s)));
56340
56347
  this.$init_302();
56341
56348
  }
56342
- defineClass(25, 155, { 153: 1, 1: 1 }, StringBuilder, StringBuilder_0, StringBuilder_1);
56349
+ defineClass(25, 154, { 152: 1, 1: 1 }, StringBuilder, StringBuilder_0, StringBuilder_1);
56343
56350
  _.$init_302 = function $init_302() {
56344
56351
  };
56345
56352
  _.append_4 = function append_4(x_0) {
@@ -58217,11 +58224,11 @@ function getExports($wnd) {
58217
58224
  this.precision = precision;
58218
58225
  this.roundingMode = roundingMode;
58219
58226
  }
58220
- defineClass(94, 1, { 4: 1, 1: 1, 94: 1 }, MathContext, MathContext_0);
58227
+ defineClass(93, 1, { 4: 1, 1: 1, 93: 1 }, MathContext, MathContext_0);
58221
58228
  _.$init_307 = function $init_307() {
58222
58229
  };
58223
58230
  _.equals_0 = function equals_33(x_0) {
58224
- return instanceOf(x_0, 94) && castTo(x_0, 94).getPrecision() == this.precision && jsEquals(castTo(x_0, 94).getRoundingMode(), this.roundingMode);
58231
+ return instanceOf(x_0, 93) && castTo(x_0, 93).getPrecision() == this.precision && jsEquals(castTo(x_0, 93).getRoundingMode(), this.roundingMode);
58225
58232
  };
58226
58233
  _.getPrecision = function getPrecision() {
58227
58234
  return this.precision;
@@ -58237,7 +58244,7 @@ function getExports($wnd) {
58237
58244
  };
58238
58245
  _.precision = 0;
58239
58246
  var DECIMAL128, DECIMAL32, DECIMAL64, UNLIMITED, serialVersionUID_15 = { l: 3539455, m: 1515645, h: 317170 };
58240
- var Ljava_math_MathContext_2_classLit = createForClass("java.math", "MathContext", 94, Ljava_lang_Object_2_classLit);
58247
+ var Ljava_math_MathContext_2_classLit = createForClass("java.math", "MathContext", 93, Ljava_lang_Object_2_classLit);
58241
58248
  function $clinit_Multiplication() {
58242
58249
  $clinit_Multiplication = emptyMethod;
58243
58250
  var fivePow, i;
@@ -58480,13 +58487,13 @@ function getExports($wnd) {
58480
58487
  }
58481
58488
  function values_5() {
58482
58489
  $clinit_RoundingMode();
58483
- return stampJavaTypeInfo(getClassLiteralForArray(Ljava_math_RoundingMode_2_classLit, 1), { 4: 1, 1: 1, 7: 1 }, 93, 0, [UP, DOWN, CEILING, FLOOR, HALF_UP, HALF_DOWN, HALF_EVEN, UNNECESSARY]);
58490
+ return stampJavaTypeInfo(getClassLiteralForArray(Ljava_math_RoundingMode_2_classLit, 1), { 4: 1, 1: 1, 7: 1 }, 92, 0, [UP, DOWN, CEILING, FLOOR, HALF_UP, HALF_DOWN, HALF_EVEN, UNNECESSARY]);
58484
58491
  }
58485
- defineClass(93, 48, { 4: 1, 24: 1, 48: 1, 1: 1, 93: 1 }, RoundingMode);
58492
+ defineClass(92, 47, { 4: 1, 24: 1, 47: 1, 1: 1, 92: 1 }, RoundingMode);
58486
58493
  _.$init_308 = function $init_308() {
58487
58494
  };
58488
58495
  var CEILING, DOWN, FLOOR, HALF_DOWN, HALF_EVEN, HALF_UP, UNNECESSARY, UP;
58489
- var Ljava_math_RoundingMode_2_classLit = createForEnum("java.math", "RoundingMode", 93, Ljava_lang_Enum_2_classLit, values_5, valueOf_28);
58496
+ var Ljava_math_RoundingMode_2_classLit = createForEnum("java.math", "RoundingMode", 92, Ljava_lang_Enum_2_classLit, values_5, valueOf_28);
58490
58497
  function $clinit_RoundingMode$Map() {
58491
58498
  $clinit_RoundingMode$Map = emptyMethod;
58492
58499
  $MAP_4 = createValueOfMap(values_5());
@@ -58584,10 +58591,10 @@ function getExports($wnd) {
58584
58591
  Object_0.call(this);
58585
58592
  this.$init_311();
58586
58593
  }
58587
- defineClass(481, 1, { 1: 1 });
58594
+ defineClass(479, 1, { 1: 1 });
58588
58595
  _.$init_311 = function $init_311() {
58589
58596
  };
58590
- var Ljava_text_NumberFormat_2_classLit = createForClass("java.text", "NumberFormat", 481, Ljava_lang_Object_2_classLit);
58597
+ var Ljava_text_NumberFormat_2_classLit = createForClass("java.text", "NumberFormat", 479, Ljava_lang_Object_2_classLit);
58591
58598
  function $clinit_DecimalFormat() {
58592
58599
  $clinit_DecimalFormat = emptyMethod;
58593
58600
  $clinit_NumberFormat();
@@ -58602,7 +58609,7 @@ function getExports($wnd) {
58602
58609
  $clinit_DecimalFormat();
58603
58610
  DecimalFormat.call(this, pattern);
58604
58611
  }
58605
- defineClass(146, 481, { 1: 1 }, DecimalFormat, DecimalFormat_0);
58612
+ defineClass(145, 479, { 1: 1 }, DecimalFormat, DecimalFormat_0);
58606
58613
  _.$init_312 = function $init_312() {
58607
58614
  };
58608
58615
  _.format = function format_0(number) {
@@ -58622,7 +58629,7 @@ function getExports($wnd) {
58622
58629
  return result[1].length;
58623
58630
  };
58624
58631
  _.numDigits = 0;
58625
- var Ljava_text_DecimalFormat_2_classLit = createForClass("java.text", "DecimalFormat", 146, Ljava_text_NumberFormat_2_classLit);
58632
+ var Ljava_text_DecimalFormat_2_classLit = createForClass("java.text", "DecimalFormat", 145, Ljava_text_NumberFormat_2_classLit);
58626
58633
  function $clinit_DecimalFormatSymbols() {
58627
58634
  $clinit_DecimalFormatSymbols = emptyMethod;
58628
58635
  $clinit_Object();
@@ -58804,7 +58811,7 @@ function getExports($wnd) {
58804
58811
  $clinit_AbstractMap();
58805
58812
  return isNull(entry) ? null : entry.getValue_0();
58806
58813
  }
58807
- defineClass(140, 1, { 1: 1, 55: 1 });
58814
+ defineClass(139, 1, { 1: 1, 55: 1 });
58808
58815
  _.$init_314 = function $init_314() {
58809
58816
  };
58810
58817
  _.compute = function compute(key, remappingFunction) {
@@ -58952,7 +58959,7 @@ function getExports($wnd) {
58952
58959
  _.values = function values_6() {
58953
58960
  return new AbstractMap$2(this);
58954
58961
  };
58955
- var Ljava_util_AbstractMap_2_classLit = createForClass("java.util", "AbstractMap", 140, Ljava_lang_Object_2_classLit);
58962
+ var Ljava_util_AbstractMap_2_classLit = createForClass("java.util", "AbstractMap", 139, Ljava_lang_Object_2_classLit);
58956
58963
  function $clinit_AbstractHashMap() {
58957
58964
  $clinit_AbstractHashMap = emptyMethod;
58958
58965
  $clinit_AbstractMap();
@@ -58974,7 +58981,7 @@ function getExports($wnd) {
58974
58981
  checkArgument_0(alsoIgnored >= 0, "Non-positive load factor");
58975
58982
  this.reset_2();
58976
58983
  }
58977
- defineClass(205, 140, { 1: 1, 55: 1 });
58984
+ defineClass(205, 139, { 1: 1, 55: 1 });
58978
58985
  _.$init_315 = function $init_315() {
58979
58986
  };
58980
58987
  _.clear = function clear_12() {
@@ -59112,7 +59119,7 @@ function getExports($wnd) {
59112
59119
  AbstractCollection.call(this);
59113
59120
  this.$init_316();
59114
59121
  }
59115
- defineClass(101, 138, { 1: 1, 30: 1, 58: 1 });
59122
+ defineClass(101, 137, { 1: 1, 30: 1, 58: 1 });
59116
59123
  _.$init_316 = function $init_316() {
59117
59124
  };
59118
59125
  _.spliterator_0 = function spliterator_2() {
@@ -59322,7 +59329,7 @@ function getExports($wnd) {
59322
59329
  this.fromIndex = fromIndex;
59323
59330
  this.size_0 = toIndex - fromIndex;
59324
59331
  }
59325
- defineClass(406, 139, { 1: 1, 30: 1, 56: 1 }, AbstractList$SubList);
59332
+ defineClass(406, 138, { 1: 1, 30: 1, 56: 1 }, AbstractList$SubList);
59326
59333
  _.$init_321 = function $init_321() {
59327
59334
  };
59328
59335
  _.addAtIndex = function add_25(index_0, element) {
@@ -59426,7 +59433,7 @@ function getExports($wnd) {
59426
59433
  AbstractCollection.call(this);
59427
59434
  this.$init_324();
59428
59435
  }
59429
- defineClass(412, 138, { 1: 1, 30: 1 }, AbstractMap$2);
59436
+ defineClass(412, 137, { 1: 1, 30: 1 }, AbstractMap$2);
59430
59437
  _.$init_324 = function $init_324() {
59431
59438
  };
59432
59439
  _.clear = function clear_15() {
@@ -59562,7 +59569,7 @@ function getExports($wnd) {
59562
59569
  Object_0.call(this);
59563
59570
  this.$init_329();
59564
59571
  }
59565
- defineClass(476, 1, { 1: 1, 27: 1 });
59572
+ defineClass(474, 1, { 1: 1, 27: 1 });
59566
59573
  _.$init_329 = function $init_329() {
59567
59574
  };
59568
59575
  _.equals_0 = function equals_38(other) {
@@ -59579,7 +59586,7 @@ function getExports($wnd) {
59579
59586
  _.toString_0 = function toString_58() {
59580
59587
  return this.getKey_0() + "=" + this.getValue_0();
59581
59588
  };
59582
- var Ljava_util_AbstractMapEntry_2_classLit = createForClass("java.util", "AbstractMapEntry", 476, Ljava_lang_Object_2_classLit);
59589
+ var Ljava_util_AbstractMapEntry_2_classLit = createForClass("java.util", "AbstractMapEntry", 474, Ljava_lang_Object_2_classLit);
59583
59590
  function $clinit_SortedMap() {
59584
59591
  $clinit_SortedMap = emptyMethod;
59585
59592
  }
@@ -59601,7 +59608,7 @@ function getExports($wnd) {
59601
59608
  function copyOf_6(entry) {
59602
59609
  return isNull(entry) ? null : new AbstractMap$SimpleImmutableEntry_0(entry);
59603
59610
  }
59604
- defineClass(443, 140, { 1: 1, 55: 1 });
59611
+ defineClass(443, 139, { 1: 1, 55: 1 });
59605
59612
  _.$init_330 = function $init_330() {
59606
59613
  };
59607
59614
  _.containsEntry = function containsEntry_0(entry) {
@@ -59776,7 +59783,7 @@ function getExports($wnd) {
59776
59783
  AbstractCollection.call(this);
59777
59784
  this.$init_334();
59778
59785
  }
59779
- defineClass(418, 138, { 1: 1, 30: 1 });
59786
+ defineClass(418, 137, { 1: 1, 30: 1 });
59780
59787
  _.$init_334 = function $init_334() {
59781
59788
  };
59782
59789
  _.add = function add_26(o) {
@@ -59786,7 +59793,7 @@ function getExports($wnd) {
59786
59793
  _.addAll = function addAll_3(c) {
59787
59794
  checkNotNull_0(c);
59788
59795
  checkArgument_0(jsNotEquals(c, this), "Can't add a queue to itself");
59789
- return getClassPrototype(138).addAll.call(this, c);
59796
+ return getClassPrototype(137).addAll.call(this, c);
59790
59797
  };
59791
59798
  _.clear = function clear_17() {
59792
59799
  while (jsNotEquals(this.poll(), null)) {
@@ -59821,7 +59828,7 @@ function getExports($wnd) {
59821
59828
  function nextPowerOfTwo(num) {
59822
59829
  return highestOneBit(num) << 1;
59823
59830
  }
59824
- defineClass(510, 138, { 1: 1, 30: 1 }, ArrayDeque);
59831
+ defineClass(510, 137, { 1: 1, 30: 1 }, ArrayDeque);
59825
59832
  _.$init_335 = function $init_335() {
59826
59833
  };
59827
59834
  _.add = function add_27(e) {
@@ -60333,7 +60340,7 @@ function getExports($wnd) {
60333
60340
  checkNotNull_0(array);
60334
60341
  this.array = array;
60335
60342
  }
60336
- defineClass(429, 139, { 4: 1, 1: 1, 30: 1, 56: 1, 128: 1 }, Arrays$ArrayList);
60343
+ defineClass(429, 138, { 4: 1, 1: 1, 30: 1, 56: 1, 128: 1 }, Arrays$ArrayList);
60337
60344
  _.$init_338 = function $init_338() {
60338
60345
  };
60339
60346
  _.contains = function contains_17(o) {
@@ -60577,8 +60584,8 @@ function getExports($wnd) {
60577
60584
  function $clinit_BitSet$BitSetSpliterator() {
60578
60585
  $clinit_BitSet$BitSetSpliterator = emptyMethod;
60579
60586
  }
60580
- defineClass(796, 1, { 1: 1, 20: 1, 51: 1 });
60581
- var Ljava_util_BitSet$BitSetSpliterator_2_classLit = createForClass("java.util", "BitSet/BitSetSpliterator", 796, Ljava_lang_Object_2_classLit);
60587
+ defineClass(804, 1, { 1: 1, 20: 1, 51: 1 });
60588
+ var Ljava_util_BitSet$BitSetSpliterator_2_classLit = createForClass("java.util", "BitSet/BitSetSpliterator", 804, Ljava_lang_Object_2_classLit);
60582
60589
  function $clinit_Collections() {
60583
60590
  $clinit_Collections = emptyMethod;
60584
60591
  $clinit_Object();
@@ -60668,7 +60675,7 @@ function getExports($wnd) {
60668
60675
  AbstractList.call(this);
60669
60676
  this.$init_340();
60670
60677
  }
60671
- defineClass(419, 139, { 4: 1, 1: 1, 30: 1, 56: 1, 128: 1 }, Collections$EmptyList);
60678
+ defineClass(419, 138, { 4: 1, 1: 1, 30: 1, 56: 1, 128: 1 }, Collections$EmptyList);
60672
60679
  _.$init_340 = function $init_340() {
60673
60680
  };
60674
60681
  _.contains = function contains_18(object) {
@@ -60724,7 +60731,7 @@ function getExports($wnd) {
60724
60731
  AbstractMap.call(this);
60725
60732
  this.$init_342();
60726
60733
  }
60727
- defineClass(422, 140, { 4: 1, 1: 1, 55: 1 }, Collections$EmptyMap);
60734
+ defineClass(422, 139, { 4: 1, 1: 1, 55: 1 }, Collections$EmptyMap);
60728
60735
  _.$init_342 = function $init_342() {
60729
60736
  };
60730
60737
  _.containsKey = function containsKey_2(key) {
@@ -60789,7 +60796,7 @@ function getExports($wnd) {
60789
60796
  function $clinit_Collections$SingletonList() {
60790
60797
  $clinit_Collections$SingletonList = emptyMethod;
60791
60798
  }
60792
- defineClass(743, 139, { 4: 1, 1: 1, 30: 1, 56: 1 });
60799
+ defineClass(743, 138, { 4: 1, 1: 1, 30: 1, 56: 1 });
60793
60800
  var Ljava_util_Collections$SingletonList_2_classLit = createForClass("java.util", "Collections/SingletonList", 743, Ljava_util_AbstractList_2_classLit);
60794
60801
  function $clinit_Collections$UnmodifiableCollection() {
60795
60802
  $clinit_Collections$UnmodifiableCollection = emptyMethod;
@@ -61272,9 +61279,9 @@ function getExports($wnd) {
61272
61279
  $clinit_Comparators();
61273
61280
  return isNull(cmp) ? castTo(INTERNAL_NATURAL_ORDER, 36) : cmp;
61274
61281
  }
61275
- defineClass(798, 1, { 1: 1 });
61282
+ defineClass(797, 1, { 1: 1 });
61276
61283
  var INTERNAL_NATURAL_ORDER, NATURAL_ORDER, REVERSE_NATURAL_ORDER;
61277
- var Ljava_util_Comparators_2_classLit = createForClass("java.util", "Comparators", 798, Ljava_lang_Object_2_classLit);
61284
+ var Ljava_util_Comparators_2_classLit = createForClass("java.util", "Comparators", 797, Ljava_lang_Object_2_classLit);
61278
61285
  function $clinit_Comparators$NaturalOrderComparator() {
61279
61286
  $clinit_Comparators$NaturalOrderComparator = emptyMethod;
61280
61287
  $clinit_Object();
@@ -61301,8 +61308,8 @@ function getExports($wnd) {
61301
61308
  function $clinit_Comparators$NullComparator() {
61302
61309
  $clinit_Comparators$NullComparator = emptyMethod;
61303
61310
  }
61304
- defineClass(800, 1, { 4: 1, 1: 1, 36: 1 });
61305
- var Ljava_util_Comparators$NullComparator_2_classLit = createForClass("java.util", "Comparators/NullComparator", 800, Ljava_lang_Object_2_classLit);
61311
+ defineClass(799, 1, { 4: 1, 1: 1, 36: 1 });
61312
+ var Ljava_util_Comparators$NullComparator_2_classLit = createForClass("java.util", "Comparators/NullComparator", 799, Ljava_lang_Object_2_classLit);
61306
61313
  function $clinit_Comparators$ReverseNaturalOrderComparator() {
61307
61314
  $clinit_Comparators$ReverseNaturalOrderComparator = emptyMethod;
61308
61315
  $clinit_Object();
@@ -61313,7 +61320,7 @@ function getExports($wnd) {
61313
61320
  Object_0.call(this);
61314
61321
  this.$init_355();
61315
61322
  }
61316
- defineClass(473, 1, { 4: 1, 1: 1, 36: 1 }, Comparators$ReverseNaturalOrderComparator);
61323
+ defineClass(471, 1, { 4: 1, 1: 1, 36: 1 }, Comparators$ReverseNaturalOrderComparator);
61317
61324
  _.$init_355 = function $init_355() {
61318
61325
  };
61319
61326
  _.compare_0 = function compare_38(a, b) {
@@ -61325,12 +61332,12 @@ function getExports($wnd) {
61325
61332
  _.compare_9 = function compare_37(a, b) {
61326
61333
  return compareTo_Ljava_lang_Object__I__devirtual$_0(castTo(checkNotNull_0(b), 24), checkNotNull_0(a));
61327
61334
  };
61328
- var Ljava_util_Comparators$ReverseNaturalOrderComparator_2_classLit = createForClass("java.util", "Comparators/ReverseNaturalOrderComparator", 473, Ljava_lang_Object_2_classLit);
61335
+ var Ljava_util_Comparators$ReverseNaturalOrderComparator_2_classLit = createForClass("java.util", "Comparators/ReverseNaturalOrderComparator", 471, Ljava_lang_Object_2_classLit);
61329
61336
  function $clinit_Comparators$ReversedComparator() {
61330
61337
  $clinit_Comparators$ReversedComparator = emptyMethod;
61331
61338
  }
61332
- defineClass(799, 1, { 4: 1, 1: 1, 36: 1 });
61333
- var Ljava_util_Comparators$ReversedComparator_2_classLit = createForClass("java.util", "Comparators/ReversedComparator", 799, Ljava_lang_Object_2_classLit);
61339
+ defineClass(798, 1, { 4: 1, 1: 1, 36: 1 });
61340
+ var Ljava_util_Comparators$ReversedComparator_2_classLit = createForClass("java.util", "Comparators/ReversedComparator", 798, Ljava_lang_Object_2_classLit);
61334
61341
  function $clinit_ConcurrentModificationException() {
61335
61342
  $clinit_ConcurrentModificationException = emptyMethod;
61336
61343
  $clinit_RuntimeException();
@@ -61435,7 +61442,7 @@ function getExports($wnd) {
61435
61442
  this.$init_359();
61436
61443
  this.host = host;
61437
61444
  }
61438
- defineClass(478, 1, { 1: 1 }, InternalHashCodeMap);
61445
+ defineClass(476, 1, { 1: 1 }, InternalHashCodeMap);
61439
61446
  _.$init_359 = function $init_359() {
61440
61447
  this.backingMap = new $wnd.Map();
61441
61448
  };
@@ -61514,7 +61521,7 @@ function getExports($wnd) {
61514
61521
  return this.size_0;
61515
61522
  };
61516
61523
  _.size_0 = 0;
61517
- var Ljava_util_InternalHashCodeMap_2_classLit = createForClass("java.util", "InternalHashCodeMap", 478, Ljava_lang_Object_2_classLit);
61524
+ var Ljava_util_InternalHashCodeMap_2_classLit = createForClass("java.util", "InternalHashCodeMap", 476, Ljava_lang_Object_2_classLit);
61518
61525
  function $clinit_InternalHashCodeMap$1() {
61519
61526
  $clinit_InternalHashCodeMap$1 = emptyMethod;
61520
61527
  $clinit_Object();
@@ -61526,7 +61533,7 @@ function getExports($wnd) {
61526
61533
  Object_0.call(this);
61527
61534
  this.$init_360();
61528
61535
  }
61529
- defineClass(479, 1, { 1: 1, 39: 1 }, InternalHashCodeMap$1);
61536
+ defineClass(477, 1, { 1: 1, 39: 1 }, InternalHashCodeMap$1);
61530
61537
  _.$init_360 = function $init_360() {
61531
61538
  this.chains = this.this$01.backingMap.entries();
61532
61539
  this.itemIndex = 0;
@@ -61563,7 +61570,7 @@ function getExports($wnd) {
61563
61570
  }
61564
61571
  };
61565
61572
  _.itemIndex = 0;
61566
- var Ljava_util_InternalHashCodeMap$1_2_classLit = createForClass("java.util", "InternalHashCodeMap/1", 479, Ljava_lang_Object_2_classLit);
61573
+ var Ljava_util_InternalHashCodeMap$1_2_classLit = createForClass("java.util", "InternalHashCodeMap/1", 477, Ljava_lang_Object_2_classLit);
61567
61574
  function $clinit_InternalJsMap() {
61568
61575
  $clinit_InternalJsMap = emptyMethod;
61569
61576
  $clinit_Object();
@@ -61596,7 +61603,7 @@ function getExports($wnd) {
61596
61603
  function toNullIfUndefined(value_0) {
61597
61604
  return isUndefined(value_0) ? null : value_0;
61598
61605
  }
61599
- defineClass(474, 1, { 1: 1 }, InternalStringMap);
61606
+ defineClass(472, 1, { 1: 1 }, InternalStringMap);
61600
61607
  _.$init_361 = function $init_361() {
61601
61608
  this.backingMap = new $wnd.Map();
61602
61609
  };
@@ -61648,7 +61655,7 @@ function getExports($wnd) {
61648
61655
  };
61649
61656
  _.size_0 = 0;
61650
61657
  _.valueMod = 0;
61651
- var Ljava_util_InternalStringMap_2_classLit = createForClass("java.util", "InternalStringMap", 474, Ljava_lang_Object_2_classLit);
61658
+ var Ljava_util_InternalStringMap_2_classLit = createForClass("java.util", "InternalStringMap", 472, Ljava_lang_Object_2_classLit);
61652
61659
  function $clinit_InternalStringMap$1() {
61653
61660
  $clinit_InternalStringMap$1 = emptyMethod;
61654
61661
  $clinit_Object();
@@ -61660,7 +61667,7 @@ function getExports($wnd) {
61660
61667
  Object_0.call(this);
61661
61668
  this.$init_362();
61662
61669
  }
61663
- defineClass(475, 1, { 1: 1, 39: 1 }, InternalStringMap$1);
61670
+ defineClass(473, 1, { 1: 1, 39: 1 }, InternalStringMap$1);
61664
61671
  _.$init_362 = function $init_362() {
61665
61672
  this.entries_0 = this.this$01.backingMap.entries();
61666
61673
  this.current = this.entries_0.next();
@@ -61682,7 +61689,7 @@ function getExports($wnd) {
61682
61689
  _.remove_2 = function remove_38() {
61683
61690
  this.this$01.remove_6($getKey(this.last));
61684
61691
  };
61685
- var Ljava_util_InternalStringMap$1_2_classLit = createForClass("java.util", "InternalStringMap/1", 475, Ljava_lang_Object_2_classLit);
61692
+ var Ljava_util_InternalStringMap$1_2_classLit = createForClass("java.util", "InternalStringMap/1", 473, Ljava_lang_Object_2_classLit);
61686
61693
  function $clinit_InternalStringMap$2() {
61687
61694
  $clinit_InternalStringMap$2 = emptyMethod;
61688
61695
  $clinit_AbstractMapEntry();
@@ -61695,7 +61702,7 @@ function getExports($wnd) {
61695
61702
  AbstractMapEntry.call(this);
61696
61703
  this.$init_363();
61697
61704
  }
61698
- defineClass(477, 476, { 1: 1, 27: 1 }, InternalStringMap$2);
61705
+ defineClass(475, 474, { 1: 1, 27: 1 }, InternalStringMap$2);
61699
61706
  _.$init_363 = function $init_363() {
61700
61707
  };
61701
61708
  _.getKey_0 = function getKey_2() {
@@ -61711,7 +61718,7 @@ function getExports($wnd) {
61711
61718
  return this.this$01.put_1($getKey(this.val$entry2), object);
61712
61719
  };
61713
61720
  _.val$lastValueMod3 = 0;
61714
- var Ljava_util_InternalStringMap$2_2_classLit = createForClass("java.util", "InternalStringMap/2", 477, Ljava_util_AbstractMapEntry_2_classLit);
61721
+ var Ljava_util_InternalStringMap$2_2_classLit = createForClass("java.util", "InternalStringMap/2", 475, Ljava_util_AbstractMapEntry_2_classLit);
61715
61722
  function $clinit_Locale() {
61716
61723
  $clinit_Locale = emptyMethod;
61717
61724
  $clinit_Object();
@@ -62166,7 +62173,7 @@ function getExports($wnd) {
62166
62173
  this.$init_372();
62167
62174
  this.setSeed_0(seed);
62168
62175
  }
62169
- defineClass(87, 1, { 1: 1 }, Random, Random_0);
62176
+ defineClass(86, 1, { 1: 1 }, Random, Random_0);
62170
62177
  _.$init_372 = function $init_372() {
62171
62178
  this.haveNextNextGaussian = false;
62172
62179
  };
@@ -62222,7 +62229,7 @@ function getExports($wnd) {
62222
62229
  _.seedhi = 0;
62223
62230
  _.seedlo = 0;
62224
62231
  var multiplierHi = 1502, multiplierLo = 15525485, twoToThe24 = 16777216, twoToThe31 = 2147483648, twoToThe32 = 4294967296, twoToTheMinus24 = 5960464477539063e-23, twoToTheMinus26 = 14901161193847656e-24, twoToTheMinus31 = 4656612873077393e-25, twoToTheMinus53 = 11102230246251565e-32, twoToTheXMinus24, twoToTheXMinus48, uniqueSeed = 0;
62225
- var Ljava_util_Random_2_classLit = createForClass("java.util", "Random", 87, Ljava_lang_Object_2_classLit);
62232
+ var Ljava_util_Random_2_classLit = createForClass("java.util", "Random", 86, Ljava_lang_Object_2_classLit);
62226
62233
  function $clinit_Spliterators$IteratorSpliterator() {
62227
62234
  $clinit_Spliterators$IteratorSpliterator = emptyMethod;
62228
62235
  $clinit_Object();
@@ -62994,12 +63001,12 @@ function getExports($wnd) {
62994
63001
  this.$init_383();
62995
63002
  this.isRed = isRed;
62996
63003
  }
62997
- defineClass(143, 207, { 1: 1, 27: 1, 143: 1 }, TreeMap$Node);
63004
+ defineClass(142, 207, { 1: 1, 27: 1, 142: 1 }, TreeMap$Node);
62998
63005
  _.$init_383 = function $init_383() {
62999
- this.child = initUnidimensionalArray(Ljava_util_TreeMap$Node_2_classLit, { 4: 1, 1: 1, 7: 1 }, 143, 2, 0, 1);
63006
+ this.child = initUnidimensionalArray(Ljava_util_TreeMap$Node_2_classLit, { 4: 1, 1: 1, 7: 1 }, 142, 2, 0, 1);
63000
63007
  };
63001
63008
  _.isRed = false;
63002
- var Ljava_util_TreeMap$Node_2_classLit = createForClass("java.util", "TreeMap/Node", 143, Ljava_util_AbstractMap$SimpleEntry_2_classLit);
63009
+ var Ljava_util_TreeMap$Node_2_classLit = createForClass("java.util", "TreeMap/Node", 142, Ljava_util_AbstractMap$SimpleEntry_2_classLit);
63003
63010
  function $clinit_TreeMap$State() {
63004
63011
  $clinit_TreeMap$State = emptyMethod;
63005
63012
  $clinit_Object();
@@ -63045,7 +63052,7 @@ function getExports($wnd) {
63045
63052
  $clinit_TreeMap$SubMapType();
63046
63053
  return stampJavaTypeInfo(getClassLiteralForArray(Ljava_util_TreeMap$SubMapType_2_classLit, 1), { 4: 1, 1: 1, 7: 1 }, 102, 0, [All, Head, Range_0, Tail]);
63047
63054
  }
63048
- defineClass(102, 48, { 4: 1, 24: 1, 48: 1, 1: 1, 102: 1 }, TreeMap$SubMapType);
63055
+ defineClass(102, 47, { 4: 1, 24: 1, 47: 1, 1: 1, 102: 1 }, TreeMap$SubMapType);
63049
63056
  _.$init_385 = function $init_385() {
63050
63057
  };
63051
63058
  _.fromKeyValid = function fromKeyValid() {
@@ -63065,7 +63072,7 @@ function getExports($wnd) {
63065
63072
  TreeMap$SubMapType.call(this, enum$name, enum$ordinal);
63066
63073
  this.$init_386();
63067
63074
  }
63068
- defineClass(445, 102, { 4: 1, 24: 1, 48: 1, 1: 1, 102: 1 }, TreeMap$SubMapType$1);
63075
+ defineClass(445, 102, { 4: 1, 24: 1, 47: 1, 1: 1, 102: 1 }, TreeMap$SubMapType$1);
63069
63076
  _.$init_386 = function $init_386() {
63070
63077
  };
63071
63078
  _.toKeyValid = function toKeyValid_0() {
@@ -63081,7 +63088,7 @@ function getExports($wnd) {
63081
63088
  TreeMap$SubMapType.call(this, enum$name, enum$ordinal);
63082
63089
  this.$init_387();
63083
63090
  }
63084
- defineClass(446, 102, { 4: 1, 24: 1, 48: 1, 1: 1, 102: 1 }, TreeMap$SubMapType$2);
63091
+ defineClass(446, 102, { 4: 1, 24: 1, 47: 1, 1: 1, 102: 1 }, TreeMap$SubMapType$2);
63085
63092
  _.$init_387 = function $init_387() {
63086
63093
  };
63087
63094
  _.fromKeyValid = function fromKeyValid_0() {
@@ -63100,7 +63107,7 @@ function getExports($wnd) {
63100
63107
  TreeMap$SubMapType.call(this, enum$name, enum$ordinal);
63101
63108
  this.$init_388();
63102
63109
  }
63103
- defineClass(447, 102, { 4: 1, 24: 1, 48: 1, 1: 1, 102: 1 }, TreeMap$SubMapType$3);
63110
+ defineClass(447, 102, { 4: 1, 24: 1, 47: 1, 1: 1, 102: 1 }, TreeMap$SubMapType$3);
63104
63111
  _.$init_388 = function $init_388() {
63105
63112
  };
63106
63113
  _.fromKeyValid = function fromKeyValid_1() {
@@ -63185,7 +63192,7 @@ function getExports($wnd) {
63185
63192
  throw toJs(new ArrayIndexOutOfBoundsException_0(valueOf_18(index_0)));
63186
63193
  }
63187
63194
  }
63188
- defineClass(467, 139, { 4: 1, 1: 1, 30: 1, 56: 1, 128: 1 }, Vector);
63195
+ defineClass(467, 138, { 4: 1, 1: 1, 30: 1, 56: 1, 128: 1 }, Vector);
63189
63196
  _.$init_390 = function $init_390() {
63190
63197
  };
63191
63198
  _.addAtIndex = function add_33(index_0, o) {
@@ -63293,7 +63300,7 @@ function getExports($wnd) {
63293
63300
  this.$init_391();
63294
63301
  this.backingMap = new HashMap();
63295
63302
  }
63296
- defineClass(212, 140, { 1: 1, 55: 1 });
63303
+ defineClass(212, 139, { 1: 1, 55: 1 });
63297
63304
  _.$init_391 = function $init_391() {
63298
63305
  };
63299
63306
  _.contains_3 = function contains_27(value_0) {
@@ -63654,7 +63661,7 @@ function getExports($wnd) {
63654
63661
  $clinit_Collector$Characteristics();
63655
63662
  return stampJavaTypeInfo(getClassLiteralForArray(Ljava_util_stream_Collector$Characteristics_2_classLit, 1), { 4: 1, 1: 1, 7: 1 }, 82, 0, [CONCURRENT_0, IDENTITY_FINISH, UNORDERED]);
63656
63663
  }
63657
- defineClass(82, 48, { 4: 1, 24: 1, 48: 1, 1: 1, 82: 1 }, Collector$Characteristics);
63664
+ defineClass(82, 47, { 4: 1, 24: 1, 47: 1, 1: 1, 82: 1 }, Collector$Characteristics);
63658
63665
  _.$init_395 = function $init_395() {
63659
63666
  };
63660
63667
  var CONCURRENT_0, IDENTITY_FINISH, UNORDERED;
@@ -64082,7 +64089,7 @@ function getExports($wnd) {
64082
64089
  }
64083
64090
  defineClass(380, 1, { 1: 1 }, Collectors$9methodref$add$Type);
64084
64091
  _.accept_1 = function accept_6(arg0, arg1) {
64085
- castTo(arg0, 74).add_12(castTo(arg1, 153));
64092
+ castTo(arg0, 74).add_12(castTo(arg1, 152));
64086
64093
  };
64087
64094
  var Ljava_util_stream_Collectors$9methodref$add$Type_2_classLit = createForClass("java.util.stream", "Collectors/9methodref$add$Type", 380, Ljava_lang_Object_2_classLit);
64088
64095
  function $clinit_Collectors$lambda$10$Type() {
@@ -64321,7 +64328,7 @@ function getExports($wnd) {
64321
64328
  function $clinit_IntStream$0methodref$close$Type() {
64322
64329
  $clinit_IntStream$0methodref$close$Type = emptyMethod;
64323
64330
  }
64324
- defineClass(540, 1, { 1: 1, 132: 1 });
64331
+ defineClass(540, 1, { 1: 1, 131: 1 });
64325
64332
  var Ljava_util_stream_IntStream$0methodref$close$Type_2_classLit = createForClass("java.util.stream", "IntStream/0methodref$close$Type", 540, Ljava_lang_Object_2_classLit);
64326
64333
  function $clinit_IntStream$Builder() {
64327
64334
  $clinit_IntStream$Builder = emptyMethod;
@@ -64335,7 +64342,7 @@ function getExports($wnd) {
64335
64342
  function $clinit_IntStream$1methodref$close$Type() {
64336
64343
  $clinit_IntStream$1methodref$close$Type = emptyMethod;
64337
64344
  }
64338
- defineClass(541, 1, { 1: 1, 132: 1 });
64345
+ defineClass(541, 1, { 1: 1, 131: 1 });
64339
64346
  var Ljava_util_stream_IntStream$1methodref$close$Type_2_classLit = createForClass("java.util.stream", "IntStream/1methodref$close$Type", 541, Ljava_lang_Object_2_classLit);
64340
64347
  function $clinit_IntStream$2() {
64341
64348
  $clinit_IntStream$2 = emptyMethod;
@@ -64680,7 +64687,7 @@ function getExports($wnd) {
64680
64687
  function $clinit_Stream$0methodref$close$Type() {
64681
64688
  $clinit_Stream$0methodref$close$Type = emptyMethod;
64682
64689
  }
64683
- defineClass(587, 1, { 1: 1, 132: 1 });
64690
+ defineClass(587, 1, { 1: 1, 131: 1 });
64684
64691
  var Ljava_util_stream_Stream$0methodref$close$Type_2_classLit = createForClass("java.util.stream", "Stream/0methodref$close$Type", 587, Ljava_lang_Object_2_classLit);
64685
64692
  function $clinit_Stream$Builder() {
64686
64693
  $clinit_Stream$Builder = emptyMethod;
@@ -64694,7 +64701,7 @@ function getExports($wnd) {
64694
64701
  function $clinit_Stream$1methodref$close$Type() {
64695
64702
  $clinit_Stream$1methodref$close$Type = emptyMethod;
64696
64703
  }
64697
- defineClass(588, 1, { 1: 1, 132: 1 });
64704
+ defineClass(588, 1, { 1: 1, 131: 1 });
64698
64705
  var Ljava_util_stream_Stream$1methodref$close$Type_2_classLit = createForClass("java.util.stream", "Stream/1methodref$close$Type", 588, Ljava_lang_Object_2_classLit);
64699
64706
  function $clinit_Stream$2() {
64700
64707
  $clinit_Stream$2 = emptyMethod;
@@ -65258,7 +65265,7 @@ function getExports($wnd) {
65258
65265
  }
65259
65266
  defineClass(439, 1, { 1: 1 }, TerminatableStream$lambda$0$Type);
65260
65267
  _.accept_0 = function accept_14(arg0) {
65261
- lambda$0_12(this.throwables_0, castTo(arg0, 132));
65268
+ lambda$0_12(this.throwables_0, castTo(arg0, 131));
65262
65269
  };
65263
65270
  var Ljava_util_stream_TerminatableStream$lambda$0$Type_2_classLit = createForClass("java.util.stream", "TerminatableStream/lambda$0$Type", 439, Ljava_lang_Object_2_classLit);
65264
65271
  function $clinit_ArrayHelper$NativeArray() {
@@ -65812,7 +65819,7 @@ function getExports($wnd) {
65812
65819
  fuv = froot.subC(fragment.getExtendedCoordinates(fragmentConformer, fRearAtom)).unit();
65813
65820
  uv = root.subC(this.getCoordinates(rearAtom)).unit();
65814
65821
  alpha_0 = fuv.getAngle_0(uv);
65815
- fcoords = initUnidimensionalArray(Lcom_actelion_research_chem_Coordinates_2_classLit, { 152: 1, 4: 1, 1: 1, 7: 1 }, 33, fragment.getExtendedSize(), 0, 1);
65822
+ fcoords = initUnidimensionalArray(Lcom_actelion_research_chem_Coordinates_2_classLit, { 151: 1, 4: 1, 1: 1, 7: 1 }, 33, fragment.getExtendedSize(), 0, 1);
65816
65823
  if (alpha_0 < 0.0010000000474974513) {
65817
65824
  for (i0 = 0; i0 < fragment.getExtendedSize(); i0++) {
65818
65825
  atom = fragment.extendedToOriginalAtom(i0);
@@ -66450,7 +66457,7 @@ function getExports($wnd) {
66450
66457
  return true;
66451
66458
  if (!this.locateInitialFragments_0(isRotatableBond))
66452
66459
  return false;
66453
- this.mRotatableBond = initUnidimensionalArray(Lorg_openmolecules_chem_conf_gen_RotatableBond_2_classLit, { 4: 1, 1: 1, 7: 1 }, 158, count, 0, 1);
66460
+ this.mRotatableBond = initUnidimensionalArray(Lorg_openmolecules_chem_conf_gen_RotatableBond_2_classLit, { 4: 1, 1: 1, 7: 1 }, 157, count, 0, 1);
66454
66461
  rotatableBond = 0;
66455
66462
  for (bond = 0; bond < mol.getBonds_0(); bond++)
66456
66463
  if (isRotatableBond[bond])
@@ -66673,7 +66680,7 @@ function getExports($wnd) {
66673
66680
  }
66674
66681
  defineClass(319, 1, { 1: 1, 36: 1 }, ConformerGenerator$lambda$0$Type);
66675
66682
  _.compare_0 = function compare_39(arg0, arg1) {
66676
- return lambda$0_16(castTo(arg0, 158), castTo(arg1, 158));
66683
+ return lambda$0_16(castTo(arg0, 157), castTo(arg1, 157));
66677
66684
  };
66678
66685
  _.equals_0 = function equals_50(other) {
66679
66686
  return getClassPrototype(1).equals_0.call(this, other);
@@ -66809,18 +66816,18 @@ function getExports($wnd) {
66809
66816
  return this.get_7(key);
66810
66817
  };
66811
66818
  _.put = function put_6(key, cacheEntry) {
66812
- return this.put_2(castToString(key), castTo(cacheEntry, 142));
66819
+ return this.put_2(castToString(key), castTo(cacheEntry, 141));
66813
66820
  };
66814
66821
  _.canAddEntry = function canAddEntry() {
66815
66822
  return this.size() < this.mMaxEntryCount;
66816
66823
  };
66817
66824
  _.clear = function clear_28() {
66818
- getClassPrototype(140).clear.call(this);
66825
+ getClassPrototype(139).clear.call(this);
66819
66826
  this.mDefaultCacheLoaded = false;
66820
66827
  };
66821
66828
  _.get_7 = function get_43(key) {
66822
66829
  var entry;
66823
- entry = castTo(getClassPrototype(212).get.call(this, key), 142);
66830
+ entry = castTo(getClassPrototype(212).get.call(this, key), 141);
66824
66831
  this.mGetCount++;
66825
66832
  if (isNotNull(entry)) {
66826
66833
  entry.incrementHitCount();
@@ -66832,7 +66839,7 @@ function getExports($wnd) {
66832
66839
  this.mNonCachableCount++;
66833
66840
  };
66834
66841
  _.put_2 = function put_7(key, cacheEntry) {
66835
- return this.size() < this.mMaxEntryCount ? castTo(getClassPrototype(212).put.call(this, key, cacheEntry), 142) : null;
66842
+ return this.size() < this.mMaxEntryCount ? castTo(getClassPrototype(212).put.call(this, key, cacheEntry), 141) : null;
66836
66843
  };
66837
66844
  _.mDefaultCacheLoaded = false;
66838
66845
  _.mGetCount = 0;
@@ -66852,11 +66859,11 @@ function getExports($wnd) {
66852
66859
  this.coordinates_0 = coordinates;
66853
66860
  this.likelihood = likelihoods;
66854
66861
  }
66855
- defineClass(142, 1, { 24: 1, 1: 1, 142: 1 }, RigidFragmentCache$CacheEntry);
66862
+ defineClass(141, 1, { 24: 1, 1: 1, 141: 1 }, RigidFragmentCache$CacheEntry);
66856
66863
  _.$init_419 = function $init_419() {
66857
66864
  };
66858
66865
  _.compareTo_1 = function compareTo_43(o) {
66859
- return this.compareTo_22(castTo(o, 142));
66866
+ return this.compareTo_22(castTo(o, 141));
66860
66867
  };
66861
66868
  _.compareTo_22 = function compareTo_44(o) {
66862
66869
  if (this.hitCount != o.hitCount)
@@ -66867,7 +66874,7 @@ function getExports($wnd) {
66867
66874
  this.hitCount++;
66868
66875
  };
66869
66876
  _.hitCount = 0;
66870
- var Lorg_openmolecules_chem_conf_gen_RigidFragmentCache$CacheEntry_2_classLit = createForClass("org.openmolecules.chem.conf.gen", "RigidFragmentCache/CacheEntry", 142, Ljava_lang_Object_2_classLit);
66877
+ var Lorg_openmolecules_chem_conf_gen_RigidFragmentCache$CacheEntry_2_classLit = createForClass("org.openmolecules.chem.conf.gen", "RigidFragmentCache/CacheEntry", 141, Ljava_lang_Object_2_classLit);
66871
66878
  function $clinit_RigidFragmentProvider() {
66872
66879
  $clinit_RigidFragmentProvider = emptyMethod;
66873
66880
  $clinit_Object();
@@ -67086,7 +67093,7 @@ function getExports($wnd) {
67086
67093
  }
67087
67094
  if (useCache) {
67088
67095
  graphIndex = canonizer.getGraphIndexes_0();
67089
- coords = initMultidimensionalArray(Lcom_actelion_research_chem_Coordinates_2_classLit, [{ 4: 1, 1: 1, 7: 1 }, { 152: 1, 4: 1, 1: 1, 7: 1 }], [152, 33], 0, [conformerList.size(), graphIndex.length], 2);
67096
+ coords = initMultidimensionalArray(Lcom_actelion_research_chem_Coordinates_2_classLit, [{ 4: 1, 1: 1, 7: 1 }, { 151: 1, 4: 1, 1: 1, 7: 1 }], [151, 33], 0, [conformerList.size(), graphIndex.length], 2);
67090
67097
  for (i = 0; i < coords.length; i++) {
67091
67098
  for (j = 0; j < graphIndex.length; j++) {
67092
67099
  xyz = castTo(conformerList.getAtIndex(i), 54).getCoordinates(j);
@@ -67182,7 +67189,7 @@ function getExports($wnd) {
67182
67189
  this.removeEquivalentTorsions(mol);
67183
67190
  this.findSmallerSideAtomList(mol, disconnectedFragmentNo, disconnectedFragmentSize);
67184
67191
  }
67185
- defineClass(158, 1, { 1: 1, 158: 1 }, RotatableBond);
67192
+ defineClass(157, 1, { 1: 1, 157: 1 }, RotatableBond);
67186
67193
  _.$init_421 = function $init_421() {
67187
67194
  };
67188
67195
  _.areBondAtomsInFragmentOrder = function areBondAtomsInFragmentOrder() {
@@ -67396,7 +67403,7 @@ function getExports($wnd) {
67396
67403
  _.mFragmentNo2 = 0;
67397
67404
  _.mRotationCenter = 0;
67398
67405
  var SIXTY_DEGREE_FREQUENCY, SIXTY_DEGREE_RANGE, SIXTY_DEGREE_TORSION;
67399
- var Lorg_openmolecules_chem_conf_gen_RotatableBond_2_classLit = createForClass("org.openmolecules.chem.conf.gen", "RotatableBond", 158, Ljava_lang_Object_2_classLit);
67406
+ var Lorg_openmolecules_chem_conf_gen_RotatableBond_2_classLit = createForClass("org.openmolecules.chem.conf.gen", "RotatableBond", 157, Ljava_lang_Object_2_classLit);
67400
67407
  function $clinit_TorsionSet() {
67401
67408
  $clinit_TorsionSet = emptyMethod;
67402
67409
  $clinit_Object();
@@ -67517,7 +67524,7 @@ function getExports($wnd) {
67517
67524
  encoder.encodeRule(torsionIndex, rotatableBondIndex, this.mMask, this.mData);
67518
67525
  this.mCollisionIntensity = collisionIntensity;
67519
67526
  }
67520
- defineClass(148, 1, { 1: 1, 148: 1 }, TorsionSetEliminationRule);
67527
+ defineClass(147, 1, { 1: 1, 147: 1 }, TorsionSetEliminationRule);
67521
67528
  _.$init_423 = function $init_423() {
67522
67529
  };
67523
67530
  _.getCollisionIntensity = function getCollisionIntensity_0() {
@@ -67546,7 +67553,7 @@ function getExports($wnd) {
67546
67553
  return isMoreGeneral;
67547
67554
  };
67548
67555
  _.mCollisionIntensity = 0;
67549
- var Lorg_openmolecules_chem_conf_gen_TorsionSetEliminationRule_2_classLit = createForClass("org.openmolecules.chem.conf.gen", "TorsionSetEliminationRule", 148, Ljava_lang_Object_2_classLit);
67556
+ var Lorg_openmolecules_chem_conf_gen_TorsionSetEliminationRule_2_classLit = createForClass("org.openmolecules.chem.conf.gen", "TorsionSetEliminationRule", 147, Ljava_lang_Object_2_classLit);
67550
67557
  function $clinit_TorsionSetEncoder() {
67551
67558
  $clinit_TorsionSetEncoder = emptyMethod;
67552
67559
  $clinit_Object();
@@ -67774,7 +67781,7 @@ function getExports($wnd) {
67774
67781
  var er, er$iterator, sum;
67775
67782
  sum = 0;
67776
67783
  for (er$iterator = elimRules.iterator(); er$iterator.hasNext_0(); ) {
67777
- er = castTo(er$iterator.next_3(), 148);
67784
+ er = castTo(er$iterator.next_3(), 147);
67778
67785
  sum += ts.getCollisionStrainIfMatches(er);
67779
67786
  }
67780
67787
  return sum;
@@ -67802,7 +67809,7 @@ function getExports($wnd) {
67802
67809
  collisionIntensity = initUnidimensionalArray(D_classLit, { 11: 1, 4: 1, 1: 1 }, 5, this.mRotatableBond.length + this.mRigidFragment.length, 15, 1);
67803
67810
  elimRules = this.mConformerGenerator.getBaseConformer(collidingTorsionSet.getConformerIndexes()).getEliminationRules();
67804
67811
  for (er$iterator = elimRules.iterator(); er$iterator.hasNext_0(); ) {
67805
- er = castTo(er$iterator.next_3(), 148);
67812
+ er = castTo(er$iterator.next_3(), 147);
67806
67813
  if (collidingTorsionSet.getCollisionStrainIfMatches(er) != 0) {
67807
67814
  for (i = 0; i < collisionIntensity.length; i++)
67808
67815
  if (this.mTorsionSetEncoder.isMaskSet(er, i))
@@ -67844,7 +67851,7 @@ function getExports($wnd) {
67844
67851
  this.processCollisions(previousTorsionSet);
67845
67852
  if (isNotNull(diagnostics))
67846
67853
  for (i = elimRuleCount; i < eliminationRules.size(); i++)
67847
- diagnostics.get_6(previousTorsionSet).addEliminationRule(this.mTorsionSetEncoder.createRuleString(castTo(eliminationRules.getAtIndex(i), 148), baseConformer));
67854
+ diagnostics.get_6(previousTorsionSet).addEliminationRule(this.mTorsionSetEncoder.createRuleString(castTo(eliminationRules.getAtIndex(i), 147), baseConformer));
67848
67855
  if (!previousTorsionSet.isUsed()) {
67849
67856
  if (previousTorsionSet.getCollisionStrainSum() < 6)
67850
67857
  this.mSecondChoiceList.add_10(previousTorsionSet);
@@ -67957,7 +67964,7 @@ function getExports($wnd) {
67957
67964
  obsoleteList = null;
67958
67965
  currentList = this.mConformerGenerator.getBaseConformer(torsionSet.getConformerIndexes()).getEliminationRules();
67959
67966
  for (er$iterator = currentList.iterator(); er$iterator.hasNext_0(); ) {
67960
- er = castTo(er$iterator.next_3(), 148);
67967
+ er = castTo(er$iterator.next_3(), 147);
67961
67968
  if (er.isCovered(rule)) {
67962
67969
  isCovered = true;
67963
67970
  break;
@@ -69869,7 +69876,7 @@ function getExports($wnd) {
69869
69876
  atomList[i] = mol.getConnAtom_0(atomList[i - 1], 0) == atomList[i - 2] ? mol.getConnAtom_0(atomList[i - 1], 1) : mol.getConnAtom_0(atomList[i - 1], 0);
69870
69877
  return atomList;
69871
69878
  }
69872
- defineClass(471, 40, { 1: 1, 40: 1 }, StraightLineRule);
69879
+ defineClass(469, 40, { 1: 1, 40: 1 }, StraightLineRule);
69873
69880
  _.$init_436 = function $init_436() {
69874
69881
  };
69875
69882
  _.addStrain = function addStrain_2(conformer, atomStrain) {
@@ -69976,7 +69983,7 @@ function getExports($wnd) {
69976
69983
  getClassPrototype(40).addAtomList.call(this, sb);
69977
69984
  return sb.toString_0();
69978
69985
  };
69979
- var Lorg_openmolecules_chem_conf_so_StraightLineRule_2_classLit = createForClass("org.openmolecules.chem.conf.so", "StraightLineRule", 471, Lorg_openmolecules_chem_conf_so_ConformationRule_2_classLit);
69986
+ var Lorg_openmolecules_chem_conf_so_StraightLineRule_2_classLit = createForClass("org.openmolecules.chem.conf.so", "StraightLineRule", 469, Lorg_openmolecules_chem_conf_so_ConformationRule_2_classLit);
69980
69987
  function $clinit_TetrahedralStereoRule() {
69981
69988
  $clinit_TetrahedralStereoRule = emptyMethod;
69982
69989
  $clinit_ConformationRule();
@@ -70026,7 +70033,7 @@ function getExports($wnd) {
70026
70033
  }
70027
70034
  }
70028
70035
  }
70029
- defineClass(472, 40, { 1: 1, 40: 1 }, TetrahedralStereoRule);
70036
+ defineClass(470, 40, { 1: 1, 40: 1 }, TetrahedralStereoRule);
70030
70037
  _.$init_437 = function $init_437() {
70031
70038
  };
70032
70039
  _.addStrain = function addStrain_3(conformer, atomStrain) {
@@ -70277,7 +70284,7 @@ function getExports($wnd) {
70277
70284
  }
70278
70285
  return sb.toString_0();
70279
70286
  };
70280
- var Lorg_openmolecules_chem_conf_so_TetrahedralStereoRule_2_classLit = createForClass("org.openmolecules.chem.conf.so", "TetrahedralStereoRule", 472, Lorg_openmolecules_chem_conf_so_ConformationRule_2_classLit);
70287
+ var Lorg_openmolecules_chem_conf_so_TetrahedralStereoRule_2_classLit = createForClass("org.openmolecules.chem.conf.so", "TetrahedralStereoRule", 470, Lorg_openmolecules_chem_conf_so_ConformationRule_2_classLit);
70281
70288
  function $clinit_TorsionRule() {
70282
70289
  $clinit_TorsionRule = emptyMethod;
70283
70290
  $clinit_ConformationRule();
@@ -70957,7 +70964,7 @@ function getExports($wnd) {
70957
70964
  _.create = create;
70958
70965
  _.fromMolecules = fromMolecules;
70959
70966
  _.fromRxn = fromRxn;
70960
- _.fromSmiles = fromSmiles_1;
70967
+ _.fromSmiles = fromSmiles_0;
70961
70968
  $clinit_JSReactionEncoder();
70962
70969
  _ = provide("OCL.ReactionEncoder", JSReactionEncoder);
70963
70970
  _.CATALYST_DELIMITER = CATALYST_DELIMITER_0;
@@ -71068,7 +71075,7 @@ function getExports($wnd) {
71068
71075
  $sendStats("moduleStartup", "end");
71069
71076
  $gwt && $gwt.permProps && __gwtModuleFunction.__moduleStartupDone($gwt.permProps);
71070
71077
  const toReturn = $wnd["OCL"];
71071
- toReturn.version = "9.21.0";
71078
+ toReturn.version = "9.22.1";
71072
71079
  return toReturn;
71073
71080
  }
71074
71081
  var isBrowserWindow = typeof window !== "undefined" && typeof window.document !== "undefined";
@@ -71213,8 +71220,8 @@ export {
71213
71220
  };
71214
71221
  /**
71215
71222
  * openchemlib - Manipulate molecules
71216
- * @version v9.21.0
71217
- * @date 2026-03-11T08:46:30.541Z
71223
+ * @version v9.22.1
71224
+ * @date 2026-05-02T08:37:42.417Z
71218
71225
  * @link https://github.com/cheminfo/openchemlib-js
71219
71226
  * @license BSD-3-Clause
71220
71227
  */