openchemlib 9.4.0 → 9.5.0

package/dist/openchemlib.d.ts

@@ -506,6 +506,16 @@ export declare class Molecule {
    */
   static fromIDCode(idcode: string, ensure2DCoordinates?: boolean): Molecule;
 
+  /**
+   * Tries to parse a molecule from arbitrary text, with the following algorithm:
+   * - If it contains V2000 or V3000, Molfile is assumed.
+   * - Try to parse as SMILES.
+   * - Try to parse as ID code.
+   * @param text - The text to parse.
+   * @returns A molecule or null if the text could not be parsed or would give an empty molecule.
+   */
+  static fromText(text: string): Molecule | null;
+
   static getAtomicNoFromLabel(
     atomLabel: string,
     allowedPseudoAtomGroups?: number,

package/dist/openchemlib.debug.js

@@ -273,7 +273,7 @@ function addPointerListeners(canvasElement, drawArea, JavaEditorArea) {
     document.removeEventListener("pointerup", handlePointerUp);
   };
 }
-function addKeyboardListeners(canvasElement, editorArea, JavaEditorArea) {
+function addKeyboardListeners(parentElement, canvasElement, editorArea, JavaEditorArea, Molecule2) {
   const isMac = typeof navigator !== "undefined" && navigator.platform === "MacIntel";
   const isMenuKey = (ev) => isMac && ev.metaKey || !isMac && ev.ctrlKey;
   function fireKeyEvent(what, ev) {
@@ -296,6 +296,13 @@ function addKeyboardListeners(canvasElement, editorArea, JavaEditorArea) {
   canvasElement.addEventListener("keyup", (ev) => {
     fireKeyEvent(JavaEditorArea.KEY_EVENT_RELEASED, ev);
   });
+  parentElement.addEventListener("paste", (ev) => {
+    const textData = ev.clipboardData.getData("text");
+    const molecule = Molecule2.fromText(textData);
+    if (molecule && molecule.getAllAtoms() > 0) {
+      editorArea.addPastedOrDropped(molecule);
+    }
+  });
   return () => {
   };
 }
@@ -790,9 +797,11 @@ function createEditor(parentElement, options, onChange, JavaEditorArea, JavaEdit
       JavaEditorArea
     );
     removeKeyboardListeners = addKeyboardListeners(
+      editorContainer,
       editorCanvas,
       editorArea,
-      JavaEditorArea
+      JavaEditorArea,
+      Molecule2
     );
     removeToolbarPointerListeners = addPointerListeners(
       toolbarCanvas,
@@ -1280,7 +1289,8 @@ function init(OCL) {
 
 // lib/extend/index.js
 function extendOCL(OCL) {
-  OCL.ConformerGenerator.prototype.molecules = function* molecules() {
+  const { ConformerGenerator: ConformerGenerator2, ForceFieldMMFF94: ForceFieldMMFF942, Molecule: Molecule2 } = OCL;
+  ConformerGenerator2.prototype.molecules = function* molecules() {
     let nextConformer;
     while ((nextConformer = this.getNextConformerAsMolecule()) !== null) {
       yield nextConformer;
@@ -1291,9 +1301,9 @@ function extendOCL(OCL) {
     gradTol: 1e-4,
     funcTol: 1e-6
   };
-  const _minimise = OCL.ForceFieldMMFF94.prototype._minimise;
-  delete OCL.ForceFieldMMFF94.prototype._minimise;
-  OCL.ForceFieldMMFF94.prototype.minimise = function minimise(options) {
+  const _minimise = ForceFieldMMFF942.prototype._minimise;
+  delete ForceFieldMMFF942.prototype._minimise;
+  ForceFieldMMFF942.prototype.minimise = function minimise(options) {
     options = { ...defaultMinimiseOptions, ...options };
     return _minimise.call(
       this,
@@ -1302,7 +1312,31 @@ function extendOCL(OCL) {
       options.funcTol
     );
   };
-  OCL.Molecule.prototype.getOCL = function getOCL() {
+  function parseMoleculeFromText(text) {
+    if (!text) {
+      return null;
+    }
+    if (text.includes("V2000") || text.includes("V3000")) {
+      return Molecule2.fromMolfile(text);
+    }
+    try {
+      return Molecule2.fromSmiles(text);
+    } catch {
+    }
+    try {
+      return Molecule2.fromIDCode(text);
+    } catch {
+    }
+    return null;
+  }
+  Molecule2.fromText = function fromText(text) {
+    const molecule = parseMoleculeFromText(text);
+    if (molecule && molecule.getAllAtoms() > 0) {
+      return molecule;
+    }
+    return null;
+  };
+  Molecule2.prototype.getOCL = function getOCL() {
     return OCL;
   };
 }
@@ -44274,7 +44308,7 @@ function getExports($wnd) {
   _.addDrawAreaListener = function addDrawAreaListener(l) {
     this.mListeners.add(l);
   };
-  _.addPastedOrDropped = function addPastedOrDropped(mol, p) {
+  _.addPastedOrDropped_0 = function addPastedOrDropped(mol, p) {
     var atom, avbl, editorIsFragment, originalAtoms;
     if (isNull(mol) || mol.getAllAtoms_0() == 0)
       return false;
@@ -46192,7 +46226,7 @@ function getExports($wnd) {
     var mol;
     if (isNotNull(this.mClipboardHandler)) {
       mol = this.mClipboardHandler.pasteMolecule_0();
-      if (this.addPastedOrDropped(mol, null))
+      if (this.addPastedOrDropped_0(mol, null))
         return true;
       this.showWarningMessage("No molecule on clipboard!");
     }
@@ -49048,7 +49082,7 @@ function getExports($wnd) {
     return creator.getMolfile();
   };
   _.toSVG = function toSVG(width_0, height, id_0, options) {
-    if (!width_0 || !height) {
+    if (typeof width_0 !== "number" || typeof height !== "number") {
       throw new Error("Molecule#toSVG requires width and height to be specified");
     }
     options = options || {};
@@ -50087,6 +50121,9 @@ function getExports($wnd) {
     cargjag.$clinit_JSEditorArea();
     this.draw_0();
   };
+  _.addPastedOrDropped = function addPastedOrDropped_0(mol, x_0, y_0) {
+    this.mDrawArea.addPastedOrDropped_0(mol.getStereoMolecule(), null);
+  };
   _.callJsEventListener = function callJsEventListener(what, isUserChange) {
     cargjag.$clinit_JSEditorArea();
     var jsObject = this.getJsObject();
@@ -70983,7 +71020,7 @@ function getExports($wnd) {
   $sendStats("moduleStartup", "end");
   $gwt && $gwt.permProps && __gwtModuleFunction.__moduleStartupDone($gwt.permProps);
   const toReturn = $wnd["OCL"];
-  toReturn.version = "9.4.0";
+  toReturn.version = "9.5.0";
   return toReturn;
 }
 var isBrowserWindow = typeof window !== "undefined" && typeof window.document !== "undefined";
@@ -71127,8 +71164,8 @@ export {
 };
 /**
  * openchemlib - Manipulate molecules
- * @version v9.4.0
- * @date 2025-07-10T13:55:55.814Z
+ * @version v9.5.0
+ * @date 2025-07-11T12:27:39.091Z
  * @link https://github.com/cheminfo/openchemlib-js
  * @license BSD-3-Clause
 */