Correct logic for box hashing.

johnmay · johnmay · commit 5f2ddf1e0bc4 · 2019-04-09T18:08:12.000+01:00
diff --git a/descriptor/qsarmolecular/src/main/java/org/openscience/cdk/geometry/surface/NeighborList.java b/descriptor/qsarmolecular/src/main/java/org/openscience/cdk/geometry/surface/NeighborList.java
@@ -51,13 +51,10 @@ public NeighborList(IAtom[] atoms, double radius) {
         this.boxSize = 2 * radius;
         for (int i = 0; i < atoms.length; i++) {
             String key = getKeyString(atoms[i]);
-            if (this.boxes.containsKey(key)) {
-                List<Integer> arl = this.boxes.get(key);
-                arl.add(i);
-                this.boxes.put(key, arl);
-            } else {
-                this.boxes.put(key, new ArrayList<Integer>());
-            }
+            List<Integer> arl = this.boxes.get(key);
+            if (arl == null)
+                this.boxes.put(key, arl = new ArrayList<>());
+            arl.add(i);
         }
     }
 
