openchemlib 8.19.0 → 8.20.2

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.
@@ -1,7 +1,7 @@
1
1
  /**
2
2
  * openchemlib - Manipulate molecules
3
- * @version v8.19.0
4
- * @date 2025-03-14T08:06:38.354Z
3
+ * @version v8.20.2
4
+ * @date 2025-04-11T11:53:12.143Z
5
5
  * @link https://github.com/cheminfo/openchemlib-js
6
6
  * @license BSD-3-Clause
7
7
  */
@@ -5533,11 +5533,11 @@ _.applyTransformation_0 = function applyTransformation(t){
5533
5533
  _.calculateParameters = function calculateParameters(){
5534
5534
  var averageBondLength;
5535
5535
  averageBondLength = this.mTransformation.getScaling() * (this.mAtomLabelAVBL != 0?this.mAtomLabelAVBL:this.mMol.getAverageBondLength_0());
5536
- this.mpLineWidth = averageBondLength * 0.06;
5537
- this.mpBondSpacing = averageBondLength * 0.15;
5536
+ this.mpLineWidth = averageBondLength * carc2.cFactorLineWidth;
5537
+ this.mpBondSpacing = averageBondLength * carc2.cFactorBondSpacing;
5538
5538
  this.mpBondHiliteRadius = averageBondLength * 0.38;
5539
5539
  this.mpExcludeGroupRadius = averageBondLength * 0.47;
5540
- this.mpLabelSize = round_int(averageBondLength * this.mFactorTextSize * 0.6 + 0.5);
5540
+ this.mpLabelSize = round_int(averageBondLength * this.mFactorTextSize * carc2.cFactorTextSize + 0.5);
5541
5541
  this.mpDotDiameter = averageBondLength * 0.12;
5542
5542
  this.mpQFDiameter = averageBondLength * 0.4;
5543
5543
  this.mChiralTextSize = averageBondLength * 0.5 + 0.5;
@@ -8118,7 +8118,7 @@ _.locateDelocalizedDoubleBonds_0 = function locateDelocalizedDoubleBonds_0(isDel
8118
8118
  return true;
8119
8119
  if (mayChangeAtomCharges)
8120
8120
  for (atom0 = 0; atom0 < this.mMol.getAtoms_0(); atom0++)
8121
- if (this.mIsDelocalizedAtom[atom0] && this.mMol.getAtomicNo_0(atom0) == 7 && this.mMol.getConnAtoms_0(atom0) == 3)
8121
+ if (this.mIsDelocalizedAtom[atom0] && this.mMol.getAtomicNo_0(atom0) == 7 && (this.mIsDelocalizedBridgeHead[atom0] || this.mMol.getConnAtoms_0(atom0) == 3 && !this.mIsDelocalizedFiveRingMember[atom0]))
8122
8122
  this.mMol.setAtomCharge_0(atom0, 1);
8123
8123
  this.mAllHydrogensAreExplicit = allHydrogensAreExplicit;
8124
8124
  this.protectFullValenceAtoms(mayChangeAtomCharges);
@@ -46341,6 +46341,12 @@ _.eventHappened_2 = function eventHappened_7(e){
46341
46341
  else if (e.getKey() == -6 || this.mCurrentHiliteAtom == -1 && e.getKey() == 63) {
46342
46342
  this.showHelpDialog_0();
46343
46343
  return;
46344
+ }
46345
+ else if (e.getKey() == -8) {
46346
+ if (this.mAtomKeyStrokeBuffer.length_0() != 0) {
46347
+ this.expandAtomKeyStrokes(this.mAtomKeyStrokeBuffer.toString_0());
46348
+ this.mAtomKeyStrokeBuffer.setLength(0);
46349
+ }
46344
46350
  }
46345
46351
  else if (this.mCurrentHiliteBond != -1) {
46346
46352
  ch_0 = e.getKey();
@@ -46666,6 +46672,9 @@ _.expandAtomKeyStrokes = function expandAtomKeyStrokes(keyStrokes){
46666
46672
  this.updateAndFireEvent(3);
46667
46673
  return;
46668
46674
  }
46675
+ else {
46676
+ this.update(0);
46677
+ }
46669
46678
  }
46670
46679
  if (jsNotEquals(this.mAtomKeyStrokeSuggestion, null) && !jl.isEmpty__Z__devirtual$(this.mAtomKeyStrokeSuggestion))
46671
46680
  keyStrokes = this.mAtomKeyStrokeSuggestion;
@@ -47183,7 +47192,7 @@ _.joinCloseFragments = function joinCloseFragments(fragmentNo, fragments){
47183
47192
  return fragments - mergeCount;
47184
47193
  }
47185
47194
  ;
47186
- _.moleculeChanged = function moleculeChanged(){
47195
+ _.moleculeChanged_0 = function moleculeChanged(){
47187
47196
  this.update(4);
47188
47197
  this.fireEventLater(new carge.EditorEvent(this, 1, false));
47189
47198
  }
@@ -48021,7 +48030,7 @@ _.setMolecule_0 = function setMolecule_3(theMolecule){
48021
48030
  this.mMol = theMolecule;
48022
48031
  this.mMode = 0;
48023
48032
  this.mDrawingObjectList = null;
48024
- this.moleculeChanged();
48033
+ this.moleculeChanged_0();
48025
48034
  }
48026
48035
  ;
48027
48036
  _.setReaction_0 = function setReaction(rxn){
@@ -49156,6 +49165,7 @@ cargg.$clinit_GenericKeyEvent = function $clinit_GenericKeyEvent(){
49156
49165
  cargg.KEY_BACK_SPACE = -5;
49157
49166
  cargg.KEY_HELP = -6;
49158
49167
  cargg.KEY_ESCAPE = -7;
49168
+ cargg.KEY_ENTER = -8;
49159
49169
  }
49160
49170
  ;
49161
49171
  cargg.GenericKeyEvent = function GenericKeyEvent(what, key, isAltDown, isCtrlDown, isShiftDown, isMenuShortcut, source){
@@ -49198,6 +49208,7 @@ cargg.KEY_ALT = 0;
49198
49208
  cargg.KEY_BACK_SPACE = 0;
49199
49209
  cargg.KEY_CTRL = 0;
49200
49210
  cargg.KEY_DELETE = 0;
49211
+ cargg.KEY_ENTER = 0;
49201
49212
  cargg.KEY_ESCAPE = 0;
49202
49213
  cargg.KEY_HELP = 0;
49203
49214
  cargg.KEY_PRESSED = 1;
@@ -58874,12 +58885,14 @@ _.$init_279 = function $init_279(){
58874
58885
  ;
58875
58886
  _.add_8 = function add_17(c, x_0, y_0){
58876
58887
  var jsDialog = this.getJsDialog();
58877
- return jsDialog.add(c, x_0, y_0);
58888
+ var jsComponent = c.getJsComponent();
58889
+ return jsDialog.add(jsComponent, x_0, y_0);
58878
58890
  }
58879
58891
  ;
58880
58892
  _.add_9 = function add_18(c, x1, y1, x2, y2){
58881
58893
  var jsDialog = this.getJsDialog();
58882
- return jsDialog.add(c, x1, y1, x2, y2);
58894
+ var jsComponent = c.getJsComponent();
58895
+ return jsDialog.add(jsComponent, x1, y1, x2, y2);
58883
58896
  }
58884
58897
  ;
58885
58898
  _.createCheckBox_0 = function createCheckBox(text_0){
@@ -59225,6 +59238,10 @@ _.getReaction = function getReaction_4(){
59225
59238
  return new cargm.JSReaction(this.mDrawArea.getReaction_0());
59226
59239
  }
59227
59240
  ;
59241
+ _.moleculeChanged = function moleculeChanged_0(){
59242
+ this.mDrawArea.moleculeChanged_0();
59243
+ }
59244
+ ;
59228
59245
  _.repaint = function repaint_2(){
59229
59246
  var that = this;
59230
59247
  function repaintEditorArea(){
@@ -59258,6 +59275,7 @@ carggg.KEY_ALT_0 = -2;
59258
59275
  carggg.KEY_BACK_SPACE_0 = -5;
59259
59276
  carggg.KEY_CTRL_0 = -1;
59260
59277
  carggg.KEY_DELETE_0 = -4;
59278
+ carggg.KEY_ENTER_0 = -8;
59261
59279
  carggg.KEY_ESCAPE_0 = -7;
59262
59280
  carggg.KEY_EVENT_PRESSED = 1;
59263
59281
  carggg.KEY_EVENT_RELEASED = 2;
@@ -101402,6 +101420,7 @@ _.KEY_ALT = carggg.KEY_ALT_0;
101402
101420
  _.KEY_BACK_SPACE = carggg.KEY_BACK_SPACE_0;
101403
101421
  _.KEY_CTRL = carggg.KEY_CTRL_0;
101404
101422
  _.KEY_DELETE = carggg.KEY_DELETE_0;
101423
+ _.KEY_ENTER = carggg.KEY_ENTER_0;
101405
101424
  _.KEY_ESCAPE = carggg.KEY_ESCAPE_0;
101406
101425
  _.KEY_EVENT_PRESSED = carggg.KEY_EVENT_PRESSED;
101407
101426
  _.KEY_EVENT_RELEASED = carggg.KEY_EVENT_RELEASED;
@@ -101829,7 +101848,7 @@ $gwt && $gwt.permProps && __gwtModuleFunction.__moduleStartupDone($gwt.permProps
101829
101848
 
101830
101849
  var toReturn = $wnd["OCL"];
101831
101850
 
101832
- toReturn.version = '8.19.0';
101851
+ toReturn.version = '8.20.2';
101833
101852
 
101834
101853
  return toReturn;
101835
101854
  }