Fix NullPointerException in AtomPairs2DFingerPrinter.getBitFingerprint.

k-ujihara · k-ujihara · commit 82afea5b58aa · 2019-04-11T21:49:31.000+09:00
diff --git a/descriptor/fingerprint/src/main/java/org/openscience/cdk/fingerprint/AtomPairs2DFingerprinter.java b/descriptor/fingerprint/src/main/java/org/openscience/cdk/fingerprint/AtomPairs2DFingerprinter.java
@@ -160,8 +160,11 @@ public IBitFingerprint getBitFingerprint(IAtomContainer container) throws CDKExc
         BitSet fp = new BitSet(pathToBit.size());
         List<String> paths = new ArrayList<>();
         calculate(paths, container);
-        for (String path : paths)
+        for (String path : paths) {
+        	if (!pathToBit.containsKey(path))
+        		continue;
             fp.set(pathToBit.get(path));
+        }
         return new BitSetFingerprint(fp);
     }
 
