openchemlib 8.13.0 → 8.14.0

package/dist/openchemlib-full.pretty.js

@@ -1,7 +1,7 @@
 /**
  * openchemlib - Manipulate molecules
- * @version v8.13.0
- * @date 2024-05-28T09:16:08.892Z
+ * @version v8.14.0
+ * @date 2024-06-19T16:49:26.296Z
  * @link https://github.com/cheminfo/openchemlib-js
  * @license BSD-3-Clause
 */
@@ -16134,7 +16134,7 @@ _.setAtomParity_0 = function setAtomParity(atom, parity, isPseudo){
     this.mAtomFlags[atom] |= 4;
 }
 ;
-_.setAtomQueryFeature = function setAtomQueryFeature(atom, feature, value_0){
+_.setAtomQueryFeature_0 = function setAtomQueryFeature(atom, feature, value_0){
   if (value_0)
     this.mAtomQueryFeatures[atom] = or_0(this.mAtomQueryFeatures[atom], feature);
   else 
@@ -19659,7 +19659,7 @@ _.parse_3 = function parse_3(mol, idcode, coordinates, idcodeStart, coordsStart)
         no = this.decodeBits(abits);
         for (i8 = 0; i8 < no; i8++) {
           atom = this.decodeBits(abits);
-          this.mMol.setAtomQueryFeature(atom, 2048, true);
+          this.mMol.setAtomQueryFeature_0(atom, 2048, true);
         }
 
         break;
@@ -19683,7 +19683,7 @@ _.parse_3 = function parse_3(mol, idcode, coordinates, idcodeStart, coordsStart)
         no = this.decodeBits(abits);
         for (i11 = 0; i11 < no; i11++) {
           atom = this.decodeBits(abits);
-          this.mMol.setAtomQueryFeature(atom, 4096, true);
+          this.mMol.setAtomQueryFeature_0(atom, 4096, true);
         }
 
         break;
@@ -19692,7 +19692,7 @@ _.parse_3 = function parse_3(mol, idcode, coordinates, idcodeStart, coordsStart)
         for (i12 = 0; i12 < no; i12++) {
           atom = this.decodeBits(abits);
           ringState = shl_0(fromInt_0(this.decodeBits(4)), 3);
-          this.mMol.setAtomQueryFeature(atom, ringState, true);
+          this.mMol.setAtomQueryFeature_0(atom, ringState, true);
         }
 
         break;
@@ -19701,7 +19701,7 @@ _.parse_3 = function parse_3(mol, idcode, coordinates, idcodeStart, coordsStart)
         for (i13 = 0; i13 < no; i13++) {
           atom = this.decodeBits(abits);
           aromState = shl_0(fromInt_0(this.decodeBits(2)), 1);
-          this.mMol.setAtomQueryFeature(atom, aromState, true);
+          this.mMol.setAtomQueryFeature_0(atom, aromState, true);
         }
 
         break;
@@ -19709,7 +19709,7 @@ _.parse_3 = function parse_3(mol, idcode, coordinates, idcodeStart, coordsStart)
         no = this.decodeBits(abits);
         for (i14 = 0; i14 < no; i14++) {
           atom = this.decodeBits(abits);
-          this.mMol.setAtomQueryFeature(atom, 1, true);
+          this.mMol.setAtomQueryFeature_0(atom, 1, true);
         }
 
         break;
@@ -19718,7 +19718,7 @@ _.parse_3 = function parse_3(mol, idcode, coordinates, idcodeStart, coordsStart)
         for (i15 = 0; i15 < no; i15++) {
           atom = this.decodeBits(abits);
           hydrogen = shl_0(fromInt_0(this.decodeBits(4)), 7);
-          this.mMol.setAtomQueryFeature(atom, hydrogen, true);
+          this.mMol.setAtomQueryFeature_0(atom, hydrogen, true);
         }
 
         break;
@@ -19758,7 +19758,7 @@ _.parse_3 = function parse_3(mol, idcode, coordinates, idcodeStart, coordsStart)
         no = this.decodeBits(abits);
         for (i19 = 0; i19 < no; i19++) {
           atom = this.decodeBits(abits);
-          this.mMol.setAtomQueryFeature(atom, 8192, true);
+          this.mMol.setAtomQueryFeature_0(atom, 8192, true);
         }
 
         break;
@@ -19776,7 +19776,7 @@ _.parse_3 = function parse_3(mol, idcode, coordinates, idcodeStart, coordsStart)
         for (i21 = 0; i21 < no; i21++) {
           atom = this.decodeBits(abits);
           piElectrons = shl_0(fromInt_0(this.decodeBits(3)), 14);
-          this.mMol.setAtomQueryFeature(atom, piElectrons, true);
+          this.mMol.setAtomQueryFeature_0(atom, piElectrons, true);
         }
 
         break;
@@ -19785,7 +19785,7 @@ _.parse_3 = function parse_3(mol, idcode, coordinates, idcodeStart, coordsStart)
         for (i22 = 0; i22 < no; i22++) {
           atom = this.decodeBits(abits);
           neighbours = shl_0(fromInt_0(this.decodeBits(5)), 17);
-          this.mMol.setAtomQueryFeature(atom, neighbours, true);
+          this.mMol.setAtomQueryFeature_0(atom, neighbours, true);
         }
 
         break;
@@ -19798,7 +19798,7 @@ _.parse_3 = function parse_3(mol, idcode, coordinates, idcodeStart, coordsStart)
         for (i23 = 0; i23 < no; i23++) {
           atom = this.decodeBits(abits);
           ringSize = shl_0(fromInt_0(this.decodeBits(3)), 22);
-          this.mMol.setAtomQueryFeature(atom, ringSize, true);
+          this.mMol.setAtomQueryFeature_0(atom, ringSize, true);
         }
 
         break;
@@ -19828,7 +19828,7 @@ _.parse_3 = function parse_3(mol, idcode, coordinates, idcodeStart, coordsStart)
         for (i26 = 0; i26 < no; i26++) {
           atom = this.decodeBits(abits);
           charge = shl_0(fromInt_0(this.decodeBits(3)), 25);
-          this.mMol.setAtomQueryFeature(atom, charge, true);
+          this.mMol.setAtomQueryFeature_0(atom, charge, true);
         }
 
         break;
@@ -19853,7 +19853,7 @@ _.parse_3 = function parse_3(mol, idcode, coordinates, idcodeStart, coordsStart)
         no = this.decodeBits(abits);
         for (i29 = 0; i29 < no; i29++) {
           atom = this.decodeBits(abits);
-          this.mMol.setAtomQueryFeature(atom, 268435456, true);
+          this.mMol.setAtomQueryFeature_0(atom, 268435456, true);
         }
 
         break;
@@ -19889,7 +19889,7 @@ _.parse_3 = function parse_3(mol, idcode, coordinates, idcodeStart, coordsStart)
         no = this.decodeBits(abits);
         for (i34 = 0; i34 < no; i34++) {
           atom = this.decodeBits(abits);
-          this.mMol.setAtomQueryFeature(atom, 536870912, true);
+          this.mMol.setAtomQueryFeature_0(atom, 536870912, true);
         }
 
         break;
@@ -19903,7 +19903,7 @@ _.parse_3 = function parse_3(mol, idcode, coordinates, idcodeStart, coordsStart)
         for (i36 = 0; i36 < no; i36++) {
           atom = this.decodeBits(abits);
           hint = shl_0(fromInt_0(this.decodeBits(2)), 30);
-          this.mMol.setAtomQueryFeature(atom, hint, true);
+          this.mMol.setAtomQueryFeature_0(atom, hint, true);
         }
 
         break;
@@ -19912,7 +19912,7 @@ _.parse_3 = function parse_3(mol, idcode, coordinates, idcodeStart, coordsStart)
         for (i37 = 0; i37 < no; i37++) {
           atom = this.decodeBits(abits);
           ringSize = shl_0(fromInt_0(this.decodeBits(7)), 32);
-          this.mMol.setAtomQueryFeature(atom, ringSize, true);
+          this.mMol.setAtomQueryFeature_0(atom, ringSize, true);
         }
 
         break;
@@ -19921,7 +19921,7 @@ _.parse_3 = function parse_3(mol, idcode, coordinates, idcodeStart, coordsStart)
         for (i38 = 0; i38 < no; i38++) {
           atom = this.decodeBits(abits);
           stereoState = shl_0(fromInt_0(this.decodeBits(2)), 44);
-          this.mMol.setAtomQueryFeature(atom, stereoState, true);
+          this.mMol.setAtomQueryFeature_0(atom, stereoState, true);
         }
 
         break;
@@ -19930,7 +19930,7 @@ _.parse_3 = function parse_3(mol, idcode, coordinates, idcodeStart, coordsStart)
         for (i39 = 0; i39 < no; i39++) {
           atom = this.decodeBits(abits);
           eNeighbours = shl_0(fromInt_0(this.decodeBits(5)), 39);
-          this.mMol.setAtomQueryFeature(atom, eNeighbours, true);
+          this.mMol.setAtomQueryFeature_0(atom, eNeighbours, true);
         }
 
         break;
@@ -19938,7 +19938,7 @@ _.parse_3 = function parse_3(mol, idcode, coordinates, idcodeStart, coordsStart)
         no = this.decodeBits(abits);
         for (i40 = 0; i40 < no; i40++) {
           atom = this.decodeBits(abits);
-          this.mMol.setAtomQueryFeature(atom, {l:0, m:0, h:4}, true);
+          this.mMol.setAtomQueryFeature_0(atom, {l:0, m:0, h:4}, true);
         }
 
         break;
@@ -22313,7 +22313,7 @@ _.interpretV3AtomLine = function interpretV3AtomLine(line){
     this.mMol.setAtomMapNo_0(atom, mapNo, false);
   }
   if (jl.equals_Ljava_lang_Object__Z__devirtual$_2(label_0, 'A') || jl.equals_Ljava_lang_Object__Z__devirtual$_2(label_0, '*')) {
-    this.mMol.setAtomQueryFeature(atom, 1, true);
+    this.mMol.setAtomQueryFeature_0(atom, 1, true);
   }
    else if (jl.equals_Ljava_lang_Object__Z__devirtual$_2(label_0, 'Q')) {
     list = initUnidimensionalArray(cggl.I_classLit, {6:1, 4:1, 1:1}, 5, 1, 15, 1);
@@ -22358,21 +22358,21 @@ _.interpretV3AtomLine = function interpretV3AtomLine(line){
         case 0:
           break;
         case -1:
-          this.mMol.setAtomQueryFeature(atom, or_0(or_0(256, 512), 1024), true);
+          this.mMol.setAtomQueryFeature_0(atom, or_0(or_0(256, 512), 1024), true);
           break;
         case 1:
-          this.mMol.setAtomQueryFeature(atom, 128, true);
+          this.mMol.setAtomQueryFeature_0(atom, 128, true);
           break;
         case 2:
-          this.mMol.setAtomQueryFeature(atom, or_0(128, 256), true);
+          this.mMol.setAtomQueryFeature_0(atom, or_0(128, 256), true);
           break;
-        default:this.mMol.setAtomQueryFeature(atom, or_0(or_0(128, 256), 512), true);
+        default:this.mMol.setAtomQueryFeature_0(atom, or_0(or_0(128, 256), 512), true);
           break;
       }
     }
      else if (jl.equals_Ljava_lang_Object__Z__devirtual$_2(field, 'SUBST')) {
       if (value_0 == -1) {
-        this.mMol.setAtomQueryFeature(atom, 2048, true);
+        this.mMol.setAtomQueryFeature_0(atom, 2048, true);
       }
        else if (value_0 > 0) {
         substitutionCount = 0;
@@ -22382,26 +22382,26 @@ _.interpretV3AtomLine = function interpretV3AtomLine(line){
           }
         }
         if (value_0 > substitutionCount) {
-          this.mMol.setAtomQueryFeature(atom, 4096, true);
+          this.mMol.setAtomQueryFeature_0(atom, 4096, true);
         }
       }
     }
      else if (jl.equals_Ljava_lang_Object__Z__devirtual$_2(field, 'RBCNT')) {
       switch (value_0) {
         case -1:
-          this.mMol.setAtomQueryFeature(atom, or_0(or_0(16, 32), 64), true);
+          this.mMol.setAtomQueryFeature_0(atom, or_0(or_0(16, 32), 64), true);
           break;
         case 1:
-          this.mMol.setAtomQueryFeature(atom, 8, true);
+          this.mMol.setAtomQueryFeature_0(atom, 8, true);
           break;
         case 2:
-          this.mMol.setAtomQueryFeature(atom, or_0(or_0(8, 32), 64), true);
+          this.mMol.setAtomQueryFeature_0(atom, or_0(or_0(8, 32), 64), true);
           break;
         case 3:
-          this.mMol.setAtomQueryFeature(atom, or_0(or_0(16, 32), 64), true);
+          this.mMol.setAtomQueryFeature_0(atom, or_0(or_0(16, 32), 64), true);
           break;
         case 4:
-          this.mMol.setAtomQueryFeature(atom, or_0(or_0(8, 16), 32), true);
+          this.mMol.setAtomQueryFeature_0(atom, or_0(or_0(8, 16), 32), true);
           break;
       }
     }
@@ -22733,7 +22733,7 @@ _.readMoleculeFromBuffer = function readMoleculeFromBuffer(reader){
       atom = this.mMol.addAtom_1(x_0, -y_0, -z_0);
       label_0 = jl.trim__Ljava_lang_String___devirtual$(jl.substring_II_Ljava_lang_String___devirtual$(line, 31, 34));
       if (jl.equals_Ljava_lang_Object__Z__devirtual$_2(label_0, 'A') || jl.equals_Ljava_lang_Object__Z__devirtual$_2(label_0, '*')) {
-        this.mMol.setAtomQueryFeature(atom, 1, true);
+        this.mMol.setAtomQueryFeature_0(atom, 1, true);
       }
        else if (jl.equals_Ljava_lang_Object__Z__devirtual$_2(label_0, 'Q')) {
         list = initUnidimensionalArray(cggl.I_classLit, {6:1, 4:1, 1:1}, 5, 1, 15, 1);
@@ -22762,19 +22762,19 @@ _.readMoleculeFromBuffer = function readMoleculeFromBuffer(reader){
         case 0:
           break;
         case 1:
-          this.mMol.setAtomQueryFeature(atom, or_0(256, 512), true);
+          this.mMol.setAtomQueryFeature_0(atom, or_0(256, 512), true);
           break;
         case 2:
-          this.mMol.setAtomQueryFeature(atom, 128, true);
+          this.mMol.setAtomQueryFeature_0(atom, 128, true);
           break;
         case 3:
-          this.mMol.setAtomQueryFeature(atom, or_0(128, 256), true);
+          this.mMol.setAtomQueryFeature_0(atom, or_0(128, 256), true);
           break;
-        default:this.mMol.setAtomQueryFeature(atom, or_0(or_0(128, 256), 512), true);
+        default:this.mMol.setAtomQueryFeature_0(atom, or_0(or_0(128, 256), 512), true);
           break;
       }
       if (jl.length__I__devirtual$_0(line) >= 48 && jl.charAt_I_C__devirtual$_0(line, 47) == 49) {
-        this.mMol.setAtomQueryFeature(atom, 8192, true);
+        this.mMol.setAtomQueryFeature_0(atom, 8192, true);
       }
       v = jl.length__I__devirtual$_0(line) < 51?0:this.parseIntOrSpaces(jl.trim__Ljava_lang_String___devirtual$(jl.substring_II_Ljava_lang_String___devirtual$(line, 48, 51)));
       if (v != 0) {
@@ -22869,19 +22869,19 @@ _.readMoleculeFromBuffer = function readMoleculeFromBuffer(reader){
             ringState = jl.parseInt_2(jl.trim__Ljava_lang_String___devirtual$(jl.substring_II_Ljava_lang_String___devirtual$(line, vvv, vvv + 3)));
             switch (ringState) {
               case -1:
-                this.mMol.setAtomQueryFeature(atom, or_0(or_0(16, 32), 64), true);
+                this.mMol.setAtomQueryFeature_0(atom, or_0(or_0(16, 32), 64), true);
                 break;
               case 1:
-                this.mMol.setAtomQueryFeature(atom, 8, true);
+                this.mMol.setAtomQueryFeature_0(atom, 8, true);
                 break;
               case 2:
-                this.mMol.setAtomQueryFeature(atom, or_0(or_0(8, 32), 64), true);
+                this.mMol.setAtomQueryFeature_0(atom, or_0(or_0(8, 32), 64), true);
                 break;
               case 3:
-                this.mMol.setAtomQueryFeature(atom, or_0(or_0(16, 32), 64), true);
+                this.mMol.setAtomQueryFeature_0(atom, or_0(or_0(16, 32), 64), true);
                 break;
               case 4:
-                this.mMol.setAtomQueryFeature(atom, or_0(or_0(8, 16), 32), true);
+                this.mMol.setAtomQueryFeature_0(atom, or_0(or_0(8, 16), 32), true);
                 break;
             }
           }
@@ -22911,7 +22911,7 @@ _.readMoleculeFromBuffer = function readMoleculeFromBuffer(reader){
             atom = jl.parseInt_2(jl.trim__Ljava_lang_String___devirtual$(jl.substring_II_Ljava_lang_String___devirtual$(line, aaa, aaa + 3))) - 1;
             substitution = jl.parseInt_2(jl.trim__Ljava_lang_String___devirtual$(jl.substring_II_Ljava_lang_String___devirtual$(line, vvv, vvv + 3)));
             if (substitution == -2) {
-              this.mMol.setAtomQueryFeature(atom, 2048, true);
+              this.mMol.setAtomQueryFeature_0(atom, 2048, true);
             }
              else if (substitution > 0) {
               substitutionCount = 0;
@@ -22921,7 +22921,7 @@ _.readMoleculeFromBuffer = function readMoleculeFromBuffer(reader){
                 }
               }
               if (substitution > substitutionCount) {
-                this.mMol.setAtomQueryFeature(atom, 4096, true);
+                this.mMol.setAtomQueryFeature_0(atom, 4096, true);
               }
             }
           }
@@ -26401,7 +26401,7 @@ _.locateAromaticDoubleBonds = function locateAromaticDoubleBonds(allowSmartsFeat
       for (atom = 0; atom < this.mMol.getAtoms_0(); atom++) {
         if (this.mMol.isMarkedAtom_0(atom)) {
           this.mMol.setAtomMarker_0(atom, false);
-          this.mMol.setAtomQueryFeature(atom, 2, true);
+          this.mMol.setAtomQueryFeature_0(atom, 2, true);
           this.mAromaticAtoms--;
           smartsFeatureFound = true;
         }
@@ -26850,7 +26850,7 @@ _.parse_8 = function parse_9(mol, smiles, position, endIndex, createCoordinates,
          else {
           this.mMol.setAtomMarker_0(atom0, false);
         }
-        this.mMol.setAtomQueryFeature(atom0, atomQueryFeatures, true);
+        this.mMol.setAtomQueryFeature_0(atom0, atomQueryFeatures, true);
       }
       if (atomList.size_1() != 0) {
         this.mSmartsFeatureFound = true;
@@ -27133,13 +27133,13 @@ _.parse_8 = function parse_9(mol, smiles, position, endIndex, createCoordinates,
           }
            else {
             if (explicitHydrogen == 0)
-              this.mMol.setAtomQueryFeature(atom, and_0(1920, not_0(128)), true);
+              this.mMol.setAtomQueryFeature_0(atom, and_0(1920, not_0(128)), true);
             if (explicitHydrogen == 1)
-              this.mMol.setAtomQueryFeature(atom, and_0(1920, not_0(256)), true);
+              this.mMol.setAtomQueryFeature_0(atom, and_0(1920, not_0(256)), true);
             if (explicitHydrogen == 2)
-              this.mMol.setAtomQueryFeature(atom, and_0(1920, not_0(512)), true);
+              this.mMol.setAtomQueryFeature_0(atom, and_0(1920, not_0(512)), true);
             if (explicitHydrogen == 3)
-              this.mMol.setAtomQueryFeature(atom, and_0(1920, not_0(1024)), true);
+              this.mMol.setAtomQueryFeature_0(atom, and_0(1920, not_0(1024)), true);
           }
         }
       }
@@ -27178,13 +27178,13 @@ _.parse_8 = function parse_9(mol, smiles, position, endIndex, createCoordinates,
      else if (!this.mMakeHydrogenExplicit && (this.mSmartsFeatureFound || this.mSmartsMode == 2)) {
       explicitHydrogen = this.mMol.getExplicitHydrogens_0(atom);
       if (explicitHydrogen >= 1)
-        this.mMol.setAtomQueryFeature(atom, 128, true);
+        this.mMol.setAtomQueryFeature_0(atom, 128, true);
       if (explicitHydrogen >= 2)
-        this.mMol.setAtomQueryFeature(atom, 256, true);
+        this.mMol.setAtomQueryFeature_0(atom, 256, true);
       if (explicitHydrogen >= 3)
-        this.mMol.setAtomQueryFeature(atom, 512, true);
+        this.mMol.setAtomQueryFeature_0(atom, 512, true);
       if (explicitHydrogen >= 4)
-        this.mMol.setAtomQueryFeature(atom, 1024, true);
+        this.mMol.setAtomQueryFeature_0(atom, 1024, true);
     }
   }
   if (!this.mMakeHydrogenExplicit && (this.mSmartsFeatureFound || this.mSmartsMode == 2))
@@ -27365,7 +27365,7 @@ _.parseRecursiveGroup = function parseRecursiveGroup(smiles, dollarIndex, groupL
   groupList.add(group);
   if (smiles[dollarIndex - 1] == 33)
     for (atom = 0; atom < group.getAllAtoms_0(); atom++)
-      group.setAtomQueryFeature(atom, 536870912, true);
+      group.setAtomQueryFeature_0(atom, 536870912, true);
   return endIndex - dollarIndex;
 }
 ;
@@ -30298,7 +30298,7 @@ _.classify = function classify(mol, bond){
   }
   for (i4 = 0; i4 < 2; i4++) {
     if (mol.isFlatNitrogen_0(this.mCentralAtom[i4]))
-      this.mFragment.setAtomQueryFeature(this.mToFragmentAtom[this.mCentralAtom[i4]], 268435456, true);
+      this.mFragment.setAtomQueryFeature_0(this.mToFragmentAtom[this.mCentralAtom[i4]], 268435456, true);
     delocalizedBondFound = false;
     for (j = 0; j < mol.getConnAtoms_0(this.mCentralAtom[i4]); j++) {
       connAtom = mol.getConnAtom_0(this.mCentralAtom[i4], j);
@@ -30309,7 +30309,7 @@ _.classify = function classify(mol, bond){
         }
          else if (mol.getAtomicNo_0(connAtom) == 6 && !mol.isAromaticAtom_1(this.mCentralAtom[i4])) {
           feature = mol.isAromaticAtom_1(connAtom)?2:4;
-          this.mFragment.setAtomQueryFeature(this.mToFragmentAtom[connAtom], feature, true);
+          this.mFragment.setAtomQueryFeature_0(this.mToFragmentAtom[connAtom], feature, true);
         }
         connBond = mol.getConnBond_0(this.mCentralAtom[i4], j);
         ringSize = mol.getBondRingSize_0(connBond);
@@ -30322,29 +30322,29 @@ _.classify = function classify(mol, bond){
             hasZ = mol.getZNeighbour_0(this.mCentralAtom[1 - i4], connBond) != -1;
           if (hasZ) {
             feature = and_0(4063232, not_0(1048576));
-            this.mFragment.setAtomQueryFeature(this.mToFragmentAtom[connAtom], feature, true);
+            this.mFragment.setAtomQueryFeature_0(this.mToFragmentAtom[connAtom], feature, true);
           }
            else if (mol.isAromaticBond_0(connBond)) {
             feature = and_0(4063232, not_0(524288));
-            this.mFragment.setAtomQueryFeature(this.mToFragmentAtom[connAtom], feature, true);
+            this.mFragment.setAtomQueryFeature_0(this.mToFragmentAtom[connAtom], feature, true);
           }
         }
         if (mol.getConnBondOrder_0(this.mCentralAtom[i4], j) == 1) {
           if (mol.getNonHydrogenNeighbourCount_0(connAtom) == 4) {
             feature = and_0(4063232, not_0(2097152));
-            this.mFragment.setAtomQueryFeature(this.mToFragmentAtom[connAtom], feature, true);
+            this.mFragment.setAtomQueryFeature_0(this.mToFragmentAtom[connAtom], feature, true);
           }
            else if (mol.getAtomicNo_0(connAtom) == 6) {
-            this.mFragment.setAtomQueryFeature(this.mToFragmentAtom[connAtom], 2097152, true);
+            this.mFragment.setAtomQueryFeature_0(this.mToFragmentAtom[connAtom], 2097152, true);
           }
         }
       }
     }
     if (!delocalizedBondFound) {
       if (mol.isAromaticAtom_1(this.mCentralAtom[i4]))
-        this.mFragment.setAtomQueryFeature(this.mToFragmentAtom[this.mCentralAtom[i4]], 2, true);
+        this.mFragment.setAtomQueryFeature_0(this.mToFragmentAtom[this.mCentralAtom[i4]], 2, true);
       else 
-        this.mFragment.setAtomQueryFeature(this.mToFragmentAtom[this.mCentralAtom[i4]], 4, true);
+        this.mFragment.setAtomQueryFeature_0(this.mToFragmentAtom[this.mCentralAtom[i4]], 4, true);
     }
   }
   this.mFragment.ensureHelperArrays_0(63 | 128);
@@ -40127,7 +40127,7 @@ carcr.encode_0 = function encode_0(reaction, keepAbsoluteCoordinates, sortByIDCo
     mol = reaction.getMolecule_1(i0);
     if (mol.isFragment_0() && i0 < reaction.getReactants_0())
       for (atom = 0; atom < mol.getAllAtoms_0(); atom++)
-        mol.setAtomQueryFeature(atom, 3221225472, false);
+        mol.setAtomQueryFeature_0(atom, 3221225472, false);
     canonizer = new carc2.Canonizer(mol);
     idcode[i0] = canonizer.getIDCode_0();
     if (jsEquals(idcode[i0], null)) {
@@ -49310,8 +49310,8 @@ _.setQueryFeatures_0 = function setQueryFeatures_0(atom, atomList){
     queryFeatures = or_0(queryFeatures, 8192);
   if (jl.booleanValue__Z__devirtual$(this.mCBExcludeGroup.getValue_2()))
     queryFeatures = or_0(queryFeatures, 536870912);
-  this.mMol.setAtomQueryFeature(atom, -1, false);
-  this.mMol.setAtomQueryFeature(atom, queryFeatures, true);
+  this.mMol.setAtomQueryFeature_0(atom, -1, false);
+  this.mMol.setAtomQueryFeature_0(atom, queryFeatures, true);
 }
 ;
 _.setupHandlers_0 = function setupHandlers_0(){
@@ -52088,6 +52088,10 @@ _.setAtomParity = function setAtomParity_0(atom, parity, isPseudo){
   this.oclMolecule.setAtomParity_0(atom, parity, isPseudo);
 }
 ;
+_.setAtomQueryFeature = function setAtomQueryFeature_0(atom, feature, value_0){
+  this.oclMolecule.setAtomQueryFeature_0(atom, feature, value_0);
+}
+;
 _.setAtomRadical = function setAtomRadical_0(atom, radical){
   this.oclMolecule.setAtomRadical_0(atom, radical);
 }
@@ -53188,14 +53192,14 @@ cargm.getAtomQueryFeatures_0 = function getAtomQueryFeatures_0(oclMolecule, atom
   cargm.$setPropertyBoolean(toReturn, 'moreNeighbours', gt(and_0(atomQueryFeatures, 4096), 0));
   cargm.$setPropertyBoolean(toReturn, 'matchStereo', gt(and_0(atomQueryFeatures, 8192), 0));
   cargm.$setPropertyBoolean(toReturn, 'not0PiElectrons', gt(and_0(atomQueryFeatures, 16384), 0));
-  cargm.$setPropertyBoolean(toReturn, 'not1PiElectrons', gt(and_0(atomQueryFeatures, 32768), 0));
+  cargm.$setPropertyBoolean(toReturn, 'not1PiElectron', gt(and_0(atomQueryFeatures, 32768), 0));
   cargm.$setPropertyBoolean(toReturn, 'not2PiElectrons', gt(and_0(atomQueryFeatures, 65536), 0));
   cargm.$setPropertyBoolean(toReturn, 'not0Hydrogen', gt(and_0(atomQueryFeatures, 128), 0));
   cargm.$setPropertyBoolean(toReturn, 'not1Hydrogen', gt(and_0(atomQueryFeatures, 256), 0));
   cargm.$setPropertyBoolean(toReturn, 'not2Hydrogen', gt(and_0(atomQueryFeatures, 512), 0));
   cargm.$setPropertyBoolean(toReturn, 'not3Hydrogen', gt(and_0(atomQueryFeatures, 1024), 0));
   cargm.$setPropertyBoolean(toReturn, 'not0Neighbours', gt(and_0(atomQueryFeatures, 131072), 0));
-  cargm.$setPropertyBoolean(toReturn, 'not1Neighbours', gt(and_0(atomQueryFeatures, 131072), 0));
+  cargm.$setPropertyBoolean(toReturn, 'not1Neighbour', gt(and_0(atomQueryFeatures, 262144), 0));
   cargm.$setPropertyBoolean(toReturn, 'not2Neighbours', gt(and_0(atomQueryFeatures, 524288), 0));
   cargm.$setPropertyBoolean(toReturn, 'not3Neighbours', gt(and_0(atomQueryFeatures, 1048576), 0));
   cargm.$setPropertyBoolean(toReturn, 'not4Neighbours', gt(and_0(atomQueryFeatures, 2097152), 0));
@@ -86243,7 +86247,7 @@ _.createFragment = function createFragment(mol, fragmentNo, fragmentIndex){
   for (atom3 = 0; atom3 < mol.getAllAtoms_0(); atom3++) {
     if (includeAtom[atom3]) {
       if (mol.isFlatNitrogen_0(atom3))
-        fragment.setAtomQueryFeature(fragmentAtom, 268435456, true);
+        fragment.setAtomQueryFeature_0(fragmentAtom, 268435456, true);
       if (!isCoreFragment[atom3])
         fragment.setAtomMarker_0(fragmentAtom, true);
       if (isCoreFragment[atom3] || !isOuterShellAtom[atom3]) {
@@ -90611,7 +90615,7 @@ $gwt && $gwt.permProps && __gwtModuleFunction.__moduleStartupDone($gwt.permProps
 
     var toReturn = $wnd["OCL"];
 
-    toReturn.version = '8.13.0';
+    toReturn.version = '8.14.0';
 
     return toReturn;
   }