openchemlib 9.12.0 → 9.12.1
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.
- package/dist/openchemlib.debug.js +8 -6
- package/dist/openchemlib.js +14 -11
- package/package.json +1 -1
|
@@ -1369,7 +1369,8 @@ function extendFromMolfile(Molecule2) {
|
|
|
1369
1369
|
Molecule2.fromMolfile = function fromMolfile(molfile, options = {}) {
|
|
1370
1370
|
const { customLabelPosition } = options;
|
|
1371
1371
|
const molecule = _fromMolfile.call(this, molfile);
|
|
1372
|
-
const
|
|
1372
|
+
const eol = molfile.includes("\r\n") ? "\r\n" : "\n";
|
|
1373
|
+
const lines = molfile.split(eol);
|
|
1373
1374
|
if (lines.length < 4 || !lines[3].includes("V2000")) {
|
|
1374
1375
|
return molecule;
|
|
1375
1376
|
}
|
|
@@ -1426,7 +1427,8 @@ function extendToMolfile(Molecule2) {
|
|
|
1426
1427
|
if (!includeCustomAtomLabelsAsALines && !includeCustomAtomLabelsAsVLines && !removeCustomAtomLabels) {
|
|
1427
1428
|
return molfile;
|
|
1428
1429
|
}
|
|
1429
|
-
|
|
1430
|
+
const eol = molfile.includes("\r\n") ? "\r\n" : "\n";
|
|
1431
|
+
let lines = molfile.split(eol);
|
|
1430
1432
|
if (removeCustomAtomLabels) {
|
|
1431
1433
|
lines = lines.filter(
|
|
1432
1434
|
(line) => !CUSTOM_ATOMS_LABELS_TAGS.some((tag) => line.startsWith(tag))
|
|
@@ -1453,7 +1455,7 @@ function extendToMolfile(Molecule2) {
|
|
|
1453
1455
|
return molfile;
|
|
1454
1456
|
}
|
|
1455
1457
|
lines.splice(mEndIndex, 0, ...newLines);
|
|
1456
|
-
return lines.join(
|
|
1458
|
+
return lines.join(eol);
|
|
1457
1459
|
};
|
|
1458
1460
|
}
|
|
1459
1461
|
|
|
@@ -71250,7 +71252,7 @@ function getExports($wnd) {
|
|
|
71250
71252
|
$sendStats("moduleStartup", "end");
|
|
71251
71253
|
$gwt && $gwt.permProps && __gwtModuleFunction.__moduleStartupDone($gwt.permProps);
|
|
71252
71254
|
const toReturn = $wnd["OCL"];
|
|
71253
|
-
toReturn.version = "9.12.
|
|
71255
|
+
toReturn.version = "9.12.1";
|
|
71254
71256
|
return toReturn;
|
|
71255
71257
|
}
|
|
71256
71258
|
var isBrowserWindow = typeof window !== "undefined" && typeof window.document !== "undefined";
|
|
@@ -71394,8 +71396,8 @@ export {
|
|
|
71394
71396
|
};
|
|
71395
71397
|
/**
|
|
71396
71398
|
* openchemlib - Manipulate molecules
|
|
71397
|
-
* @version v9.12.
|
|
71398
|
-
* @date 2025-10-
|
|
71399
|
+
* @version v9.12.1
|
|
71400
|
+
* @date 2025-10-22T07:23:31.337Z
|
|
71399
71401
|
* @link https://github.com/cheminfo/openchemlib-js
|
|
71400
71402
|
* @license BSD-3-Clause
|
|
71401
71403
|
*/
|