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.
- package/README.md +1 -1
- package/dist/openchemlib-core.js +146 -146
- package/dist/openchemlib-full.js +167 -167
- package/dist/openchemlib-full.pretty.js +30 -11
- package/dist/openchemlib-minimal.js +115 -115
- package/lib/canvas_editor/editor_dialog.js +1 -1
- package/lib/canvas_editor/events.js +2 -0
- package/lib/canvas_editor/init/canvas_editor.js +2 -2
- package/package.json +18 -17
- package/types.d.ts +6 -0
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@@ -1,7 +1,7 @@
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/**
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* openchemlib - Manipulate molecules
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* @version v8.
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* @date 2025-
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* @version v8.20.2
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* @date 2025-04-11T11:53:12.143Z
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* @link https://github.com/cheminfo/openchemlib-js
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* @license BSD-3-Clause
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*/
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@@ -5533,11 +5533,11 @@ _.applyTransformation_0 = function applyTransformation(t){
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_.calculateParameters = function calculateParameters(){
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var averageBondLength;
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averageBondLength = this.mTransformation.getScaling() * (this.mAtomLabelAVBL != 0?this.mAtomLabelAVBL:this.mMol.getAverageBondLength_0());
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this.mpLineWidth = averageBondLength *
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this.mpBondSpacing = averageBondLength *
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this.mpLineWidth = averageBondLength * carc2.cFactorLineWidth;
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this.mpBondSpacing = averageBondLength * carc2.cFactorBondSpacing;
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this.mpBondHiliteRadius = averageBondLength * 0.38;
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this.mpExcludeGroupRadius = averageBondLength * 0.47;
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this.mpLabelSize = round_int(averageBondLength * this.mFactorTextSize *
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this.mpLabelSize = round_int(averageBondLength * this.mFactorTextSize * carc2.cFactorTextSize + 0.5);
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this.mpDotDiameter = averageBondLength * 0.12;
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this.mpQFDiameter = averageBondLength * 0.4;
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this.mChiralTextSize = averageBondLength * 0.5 + 0.5;
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@@ -8118,7 +8118,7 @@ _.locateDelocalizedDoubleBonds_0 = function locateDelocalizedDoubleBonds_0(isDel
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return true;
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if (mayChangeAtomCharges)
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for (atom0 = 0; atom0 < this.mMol.getAtoms_0(); atom0++)
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if (this.mIsDelocalizedAtom[atom0] && this.mMol.getAtomicNo_0(atom0) == 7 && this.mMol.getConnAtoms_0(atom0) == 3)
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if (this.mIsDelocalizedAtom[atom0] && this.mMol.getAtomicNo_0(atom0) == 7 && (this.mIsDelocalizedBridgeHead[atom0] || this.mMol.getConnAtoms_0(atom0) == 3 && !this.mIsDelocalizedFiveRingMember[atom0]))
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this.mMol.setAtomCharge_0(atom0, 1);
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this.mAllHydrogensAreExplicit = allHydrogensAreExplicit;
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this.protectFullValenceAtoms(mayChangeAtomCharges);
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@@ -46341,6 +46341,12 @@ _.eventHappened_2 = function eventHappened_7(e){
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else if (e.getKey() == -6 || this.mCurrentHiliteAtom == -1 && e.getKey() == 63) {
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this.showHelpDialog_0();
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return;
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}
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else if (e.getKey() == -8) {
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if (this.mAtomKeyStrokeBuffer.length_0() != 0) {
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this.expandAtomKeyStrokes(this.mAtomKeyStrokeBuffer.toString_0());
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this.mAtomKeyStrokeBuffer.setLength(0);
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}
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}
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else if (this.mCurrentHiliteBond != -1) {
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ch_0 = e.getKey();
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@@ -46666,6 +46672,9 @@ _.expandAtomKeyStrokes = function expandAtomKeyStrokes(keyStrokes){
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this.updateAndFireEvent(3);
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return;
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}
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else {
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this.update(0);
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}
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}
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if (jsNotEquals(this.mAtomKeyStrokeSuggestion, null) && !jl.isEmpty__Z__devirtual$(this.mAtomKeyStrokeSuggestion))
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keyStrokes = this.mAtomKeyStrokeSuggestion;
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@@ -47183,7 +47192,7 @@ _.joinCloseFragments = function joinCloseFragments(fragmentNo, fragments){
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return fragments - mergeCount;
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}
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;
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_.
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_.moleculeChanged_0 = function moleculeChanged(){
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this.update(4);
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this.fireEventLater(new carge.EditorEvent(this, 1, false));
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}
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@@ -48021,7 +48030,7 @@ _.setMolecule_0 = function setMolecule_3(theMolecule){
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this.mMol = theMolecule;
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this.mMode = 0;
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this.mDrawingObjectList = null;
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this.
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this.moleculeChanged_0();
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}
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;
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_.setReaction_0 = function setReaction(rxn){
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@@ -49156,6 +49165,7 @@ cargg.$clinit_GenericKeyEvent = function $clinit_GenericKeyEvent(){
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cargg.KEY_BACK_SPACE = -5;
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cargg.KEY_HELP = -6;
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cargg.KEY_ESCAPE = -7;
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cargg.KEY_ENTER = -8;
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}
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;
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cargg.GenericKeyEvent = function GenericKeyEvent(what, key, isAltDown, isCtrlDown, isShiftDown, isMenuShortcut, source){
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cargg.KEY_BACK_SPACE = 0;
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cargg.KEY_CTRL = 0;
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cargg.KEY_DELETE = 0;
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cargg.KEY_ENTER = 0;
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cargg.KEY_ESCAPE = 0;
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cargg.KEY_HELP = 0;
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cargg.KEY_PRESSED = 1;
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@@ -58874,12 +58885,14 @@ _.$init_279 = function $init_279(){
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;
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_.add_8 = function add_17(c, x_0, y_0){
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var jsDialog = this.getJsDialog();
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var jsComponent = c.getJsComponent();
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return jsDialog.add(jsComponent, x_0, y_0);
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}
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;
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_.add_9 = function add_18(c, x1, y1, x2, y2){
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var jsDialog = this.getJsDialog();
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var jsComponent = c.getJsComponent();
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return jsDialog.add(jsComponent, x1, y1, x2, y2);
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}
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;
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_.createCheckBox_0 = function createCheckBox(text_0){
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return new cargm.JSReaction(this.mDrawArea.getReaction_0());
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}
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;
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_.moleculeChanged = function moleculeChanged_0(){
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this.mDrawArea.moleculeChanged_0();
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}
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;
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_.repaint = function repaint_2(){
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var that = this;
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function repaintEditorArea(){
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carggg.KEY_BACK_SPACE_0 = -5;
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carggg.KEY_CTRL_0 = -1;
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carggg.KEY_DELETE_0 = -4;
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carggg.KEY_ENTER_0 = -8;
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carggg.KEY_ESCAPE_0 = -7;
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carggg.KEY_EVENT_PRESSED = 1;
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carggg.KEY_EVENT_RELEASED = 2;
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_.KEY_BACK_SPACE = carggg.KEY_BACK_SPACE_0;
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_.KEY_CTRL = carggg.KEY_CTRL_0;
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_.KEY_DELETE = carggg.KEY_DELETE_0;
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_.KEY_ENTER = carggg.KEY_ENTER_0;
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_.KEY_ESCAPE = carggg.KEY_ESCAPE_0;
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_.KEY_EVENT_PRESSED = carggg.KEY_EVENT_PRESSED;
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_.KEY_EVENT_RELEASED = carggg.KEY_EVENT_RELEASED;
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var toReturn = $wnd["OCL"];
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toReturn.version = '8.
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toReturn.version = '8.20.2';
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return toReturn;
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}
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