chore: improve code of MoleculeQueryFeatures (#209)

cheminfo · May 27, 2024 · 768259c · 768259c
1 parent da337c2
commit 768259c
Showing 1 changed file with 32 additions and 31 deletions.
diff --git a/src/com/actelion/research/gwt/minimal/MoleculeQueryFeatures.java b/src/com/actelion/research/gwt/minimal/MoleculeQueryFeatures.java
@@ -7,76 +7,77 @@
 class MoleculeQueryFeatures {
   public static JavaScriptObject getAtomQueryFeatures(StereoMolecule oclMolecule, int atom) {
     PlainJSObject moleculeQueryFeatures = PlainJSObject.create();
+    long atomQueryFeatures = oclMolecule.getAtomQueryFeatures(atom);
 
     moleculeQueryFeatures.setPropertyBoolean("aromatic",
-        (oclMolecule.getAtomQueryFeatures(atom) & Molecule.cAtomQFAromatic) > 0);
+        (atomQueryFeatures & Molecule.cAtomQFAromatic) > 0);
     moleculeQueryFeatures.setPropertyBoolean("notAromatic",
-        (oclMolecule.getAtomQueryFeatures(atom) & Molecule.cAtomQFNotAromatic) > 0);
+        (atomQueryFeatures & Molecule.cAtomQFNotAromatic) > 0);
 
     moleculeQueryFeatures.setPropertyBoolean("notChain",
-        (oclMolecule.getAtomQueryFeatures(atom) & Molecule.cAtomQFNotChain) > 0);
+        (atomQueryFeatures & Molecule.cAtomQFNotChain) > 0);
     moleculeQueryFeatures.setPropertyBoolean("not2RingBonds",
-        (oclMolecule.getAtomQueryFeatures(atom) & Molecule.cAtomQFNot2RingBonds) > 0);
+        (atomQueryFeatures & Molecule.cAtomQFNot2RingBonds) > 0);
     moleculeQueryFeatures.setPropertyBoolean("not3RingBonds",
-        (oclMolecule.getAtomQueryFeatures(atom) & Molecule.cAtomQFNot3RingBonds) > 0);
+        (atomQueryFeatures & Molecule.cAtomQFNot3RingBonds) > 0);
     moleculeQueryFeatures.setPropertyBoolean("not4RingBonds",
-        (oclMolecule.getAtomQueryFeatures(atom) & Molecule.cAtomQFNot4RingBonds) > 0);
+        (atomQueryFeatures & Molecule.cAtomQFNot4RingBonds) > 0);
 
     moleculeQueryFeatures.setPropertyBoolean("noMoreNeighbours",
-        (oclMolecule.getAtomQueryFeatures(atom) & Molecule.cAtomQFNoMoreNeighbours) > 0);
+        (atomQueryFeatures & Molecule.cAtomQFNoMoreNeighbours) > 0);
     moleculeQueryFeatures.setPropertyBoolean("moreNeighbours",
-        (oclMolecule.getAtomQueryFeatures(atom) & Molecule.cAtomQFMoreNeighbours) > 0);
+        (atomQueryFeatures & Molecule.cAtomQFMoreNeighbours) > 0);
     moleculeQueryFeatures.setPropertyBoolean("matchStereo",
-        (oclMolecule.getAtomQueryFeatures(atom) & Molecule.cAtomQFMatchStereo) > 0);
+        (atomQueryFeatures & Molecule.cAtomQFMatchStereo) > 0);
 
     moleculeQueryFeatures.setPropertyBoolean("not0PiElectrons",
-        (oclMolecule.getAtomQueryFeatures(atom) & Molecule.cAtomQFNot0PiElectrons) > 0);
+        (atomQueryFeatures & Molecule.cAtomQFNot0PiElectrons) > 0);
     moleculeQueryFeatures.setPropertyBoolean("not1PiElectrons",
-        (oclMolecule.getAtomQueryFeatures(atom) & Molecule.cAtomQFNot1PiElectron) > 0);
+        (atomQueryFeatures & Molecule.cAtomQFNot1PiElectron) > 0);
     moleculeQueryFeatures.setPropertyBoolean("not2PiElectrons",
-        (oclMolecule.getAtomQueryFeatures(atom) & Molecule.cAtomQFNot2PiElectrons) > 0);
+        (atomQueryFeatures & Molecule.cAtomQFNot2PiElectrons) > 0);
 
     moleculeQueryFeatures.setPropertyBoolean("not0Hydrogen",
-        (oclMolecule.getAtomQueryFeatures(atom) & Molecule.cAtomQFNot0Hydrogen) > 0);
+        (atomQueryFeatures & Molecule.cAtomQFNot0Hydrogen) > 0);
     moleculeQueryFeatures.setPropertyBoolean("not1Hydrogen",
-        (oclMolecule.getAtomQueryFeatures(atom) & Molecule.cAtomQFNot1Hydrogen) > 0);
+        (atomQueryFeatures & Molecule.cAtomQFNot1Hydrogen) > 0);
     moleculeQueryFeatures.setPropertyBoolean("not2Hydrogen",
-        (oclMolecule.getAtomQueryFeatures(atom) & Molecule.cAtomQFNot2Hydrogen) > 0);
+        (atomQueryFeatures & Molecule.cAtomQFNot2Hydrogen) > 0);
     moleculeQueryFeatures.setPropertyBoolean("not3Hydrogen",
-        (oclMolecule.getAtomQueryFeatures(atom) & Molecule.cAtomQFNot3Hydrogen) > 0);
+        (atomQueryFeatures & Molecule.cAtomQFNot3Hydrogen) > 0);
 
     moleculeQueryFeatures.setPropertyBoolean("not0Neighbours",
-        (oclMolecule.getAtomQueryFeatures(atom) & Molecule.cAtomQFNot0Neighbours) > 0);
+        (atomQueryFeatures & Molecule.cAtomQFNot0Neighbours) > 0);
     moleculeQueryFeatures.setPropertyBoolean("not1Neighbours",
-        (oclMolecule.getAtomQueryFeatures(atom) & Molecule.cAtomQFNot0Neighbours) > 0);
+        (atomQueryFeatures & Molecule.cAtomQFNot0Neighbours) > 0);
     moleculeQueryFeatures.setPropertyBoolean("not2Neighbours",
-        (oclMolecule.getAtomQueryFeatures(atom) & Molecule.cAtomQFNot2Neighbours) > 0);
+        (atomQueryFeatures & Molecule.cAtomQFNot2Neighbours) > 0);
     moleculeQueryFeatures.setPropertyBoolean("not3Neighbours",
-        (oclMolecule.getAtomQueryFeatures(atom) & Molecule.cAtomQFNot3Neighbours) > 0);
+        (atomQueryFeatures & Molecule.cAtomQFNot3Neighbours) > 0);
     moleculeQueryFeatures.setPropertyBoolean("not4Neighbours",
-        (oclMolecule.getAtomQueryFeatures(atom) & Molecule.cAtomQFNot4Neighbours) > 0);
+        (atomQueryFeatures & Molecule.cAtomQFNot4Neighbours) > 0);
 
     moleculeQueryFeatures.setPropertyBoolean("notChargeNeg",
-        (oclMolecule.getAtomQueryFeatures(atom) & Molecule.cAtomQFNotChargeNeg) > 0);
+        (atomQueryFeatures & Molecule.cAtomQFNotChargeNeg) > 0);
     moleculeQueryFeatures.setPropertyBoolean("notCharge0",
-        (oclMolecule.getAtomQueryFeatures(atom) & Molecule.cAtomQFNotCharge0) > 0);
+        (atomQueryFeatures & Molecule.cAtomQFNotCharge0) > 0);
     moleculeQueryFeatures.setPropertyBoolean("noChargePos",
-        (oclMolecule.getAtomQueryFeatures(atom) & Molecule.cAtomQFNotChargePos) > 0);
+        (atomQueryFeatures & Molecule.cAtomQFNotChargePos) > 0);
 
     moleculeQueryFeatures.setPropertyBoolean("ringSize0",
-        (oclMolecule.getAtomQueryFeatures(atom) & Molecule.cAtomQFRingSize0) > 0);
+        (atomQueryFeatures & Molecule.cAtomQFRingSize0) > 0);
     moleculeQueryFeatures.setPropertyBoolean("ringSize3",
-        (oclMolecule.getAtomQueryFeatures(atom) & Molecule.cAtomQFRingSize3) > 0);
+        (atomQueryFeatures & Molecule.cAtomQFRingSize3) > 0);
     moleculeQueryFeatures.setPropertyBoolean("ringSize4",
-        (oclMolecule.getAtomQueryFeatures(atom) & Molecule.cAtomQFRingSize4) > 0);
+        (atomQueryFeatures & Molecule.cAtomQFRingSize4) > 0);
     moleculeQueryFeatures.setPropertyBoolean("ringSize5",
-        (oclMolecule.getAtomQueryFeatures(atom) & Molecule.cAtomQFRingSize5) > 0);
+        (atomQueryFeatures & Molecule.cAtomQFRingSize5) > 0);
     moleculeQueryFeatures.setPropertyBoolean("ringSize6",
-        (oclMolecule.getAtomQueryFeatures(atom) & Molecule.cAtomQFRingSize6) > 0);
+        (atomQueryFeatures & Molecule.cAtomQFRingSize6) > 0);
     moleculeQueryFeatures.setPropertyBoolean("ringSize7",
-        (oclMolecule.getAtomQueryFeatures(atom) & Molecule.cAtomQFRingSize7) > 0);
+        (atomQueryFeatures & Molecule.cAtomQFRingSize7) > 0);
     moleculeQueryFeatures.setPropertyBoolean("ringSizeLarge",
-        (oclMolecule.getAtomQueryFeatures(atom) & Molecule.cAtomQFRingSizeLarge) > 0);
+        (atomQueryFeatures & Molecule.cAtomQFRingSizeLarge) > 0);
 
     return moleculeQueryFeatures;
   }