Fixed a bug in external atom check

cdk · Oct 6, 2016 · 2a8e5b1 · 2a8e5b1
1 parent 58f9899
commit 2a8e5b1
Showing 1 changed file with 4 additions and 2 deletions.
diff --git a/...ptor/fingerprint/src/main/java/org/openscience/cdk/fingerprint/CircularFingerprinter.java b/...ptor/fingerprint/src/main/java/org/openscience/cdk/fingerprint/CircularFingerprinter.java
@@ -545,6 +545,7 @@ public String getFPSmarts(FP fp, IAtomContainer molecule)
     	if (n == 0)
     		return null;
 
+    	/*
     	//This is temporary code
     	if (n==1)
     	{	
@@ -555,7 +556,8 @@ public String getFPSmarts(FP fp, IAtomContainer molecule)
     		//TODO
     		
     		return sb.toString();
-    	}	
+    	}
+    	*/	
 
     	curFP = fp;
     	curFPMolecule = molecule;
@@ -601,7 +603,7 @@ String nodeToString(int atom)
     		if (neighborNode == null) // This node has not been registered yet
 			{
 				//Check for external atom (e.g. it is a neighbor atom which is not in the fp.atoms[] array)
-    			if (findArrayIndex(neighborAt, curFP.atoms) != -1)
+    			if (findArrayIndex(neighborAt, curFP.atoms) == -1)
     			{	
     				branches.add(bondToString1(bondOrder[neighborBo]) + "*");
     				continue;