openchemlib 9.16.0 → 9.16.1

package/dist/openchemlib.debug.js

@@ -15643,15 +15643,21 @@ function getExports($wnd) {
     return -$wnd.Math.atan2(v2.getLength() * v1.dot(n2), n1.dot(n2));
   };
   _.changeAtom_0 = function changeAtom(atom, atomicNo, mass, abnormalValence, radical) {
+    var changed;
     if ((atomicNo == 1 || atomicNo == 151 || atomicNo == 152) && this.getOccupiedValence_0(atom) > 1)
       return false;
+    changed = this.mIsFragment && neq(and_0(this.mAtomQueryFeatures[atom], not_0(1)), 0);
     this.mAtomQueryFeatures[atom] = and_0(this.mAtomQueryFeatures[atom], not_0(1));
-    if (jsNotEquals(this.mAtomList, null))
+    if (jsNotEquals(this.mAtomList, null) && jsNotEquals(this.mAtomList[atom], null)) {
       this.mAtomList[atom] = null;
-    if (jsNotEquals(this.mAtomCustomLabel, null))
+      changed = true;
+    }
+    if (jsNotEquals(this.mAtomCustomLabel, null) && jsNotEquals(this.mAtomCustomLabel[atom], null)) {
       this.mAtomCustomLabel[atom] = null;
+      changed = true;
+    }
     if (atomicNo == this.mAtomicNo[atom] && mass == this.mAtomMass[atom] && abnormalValence == this.getAtomAbnormalValence_0(atom) && radical == this.getAtomRadical_0(atom))
-      return false;
+      return changed;
     if (atomicNo == 151 || atomicNo == 152) {
       mass = atomicNo - 149;
       atomicNo = 1;
@@ -40053,6 +40059,8 @@ function getExports($wnd) {
       return null;
     }
     productIndex = jl.indexOf_I_I__devirtual$(rxnCode, 33);
+    if (productIndex == -1)
+      return null;
     isProduct = false;
     idcodeIndex = productIndex == 0 ? 1 : 0;
     mappingIndex = 0;
@@ -40062,21 +40070,13 @@ function getExports($wnd) {
     else
       rxn.clear_0();
     while (idcodeIndex != -1) {
-      if (productIndex != -1 && idcodeIndex > productIndex) {
+      if (idcodeIndex > productIndex)
         isProduct = true;
-      }
       delimiterIndex = jl.indexOf_II_I__devirtual$(rxnCode, 32, idcodeIndex);
-      if (!isProduct && (delimiterIndex > productIndex || delimiterIndex == -1)) {
+      if (productIndex > idcodeIndex && (delimiterIndex > productIndex || delimiterIndex == -1))
         delimiterIndex = productIndex;
-      }
-      idcode = null;
-      if (delimiterIndex == -1) {
-        idcode = jl.substring_I_Ljava_lang_String___devirtual$(rxnCode, idcodeIndex);
-        idcodeIndex = -1;
-      } else {
-        idcode = jl.substring_II_Ljava_lang_String___devirtual$(rxnCode, idcodeIndex, delimiterIndex);
-        idcodeIndex = delimiterIndex + 1;
-      }
+      idcode = delimiterIndex == -1 ? jl.substring_I_Ljava_lang_String___devirtual$(rxnCode, idcodeIndex) : jl.substring_II_Ljava_lang_String___devirtual$(rxnCode, idcodeIndex, delimiterIndex);
+      idcodeIndex = delimiterIndex == -1 || delimiterIndex == jl.length__I__devirtual$_0(rxnCode) - 1 ? -1 : delimiterIndex + 1;
       mapping = null;
       if (jsNotEquals(rxnMapping, null) && !jl.isEmpty__Z__devirtual$(rxnMapping)) {
         delimiterIndex = jl.indexOf_II_I__devirtual$(rxnMapping, 32, mappingIndex);
@@ -40246,8 +40246,8 @@ function getExports($wnd) {
       coordsSequence.append_9(coords[index_0]);
       idcode[index_0] = "";
     }
+    idcodeSequence.append_4(33);
     if (reaction.getProducts_0() != 0) {
-      idcodeSequence.append_4(33);
       if (reaction.getReactants_0() != 0) {
         mappingSequence.append_4(32);
         coordsSequence.append_4(32);
@@ -71393,7 +71393,7 @@ function getExports($wnd) {
   $sendStats("moduleStartup", "end");
   $gwt && $gwt.permProps && __gwtModuleFunction.__moduleStartupDone($gwt.permProps);
   const toReturn = $wnd["OCL"];
-  toReturn.version = "9.16.0";
+  toReturn.version = "9.16.1";
   return toReturn;
 }
 var isBrowserWindow = typeof window !== "undefined" && typeof window.document !== "undefined";
@@ -71537,8 +71537,8 @@ export {
 };
 /**
  * openchemlib - Manipulate molecules
- * @version v9.16.0
- * @date 2025-10-31T16:00:10.912Z
+ * @version v9.16.1
+ * @date 2025-11-05T07:35:22.900Z
  * @link https://github.com/cheminfo/openchemlib-js
  * @license BSD-3-Clause
 */