Slight mistake in isCharged

johnmay · egonw · commit f89de71b5fd8 · 2021-05-28T10:29:01.000+02:00
diff --git a/base/core/src/main/java/org/openscience/cdk/atomtype/CDKAtomTypeMatcher.java b/base/core/src/main/java/org/openscience/cdk/atomtype/CDKAtomTypeMatcher.java
@@ -552,7 +552,7 @@ private IAtomType perceiveOxygenRadicals(IAtomContainer atomContainer, IAtom ato
     }
 
     private boolean isCharged(IAtom atom) {
-        return atom.getFormalCharge() != 0 && atom.getFormalCharge() != 0;
+        return atom.getFormalCharge() != null && atom.getFormalCharge() != 0;
     }
 
     private boolean isCharge(IAtom atom, int q) {

Original file line number	Diff line number	Diff line change
`@@ -552,7 +552,7 @@ private IAtomType perceiveOxygenRadicals(IAtomContainer atomContainer, IAtom ato`
`552`	`552`	`}`
`553`	`553`
`554`	`554`	`private boolean isCharged(IAtom atom) {`
`555`		`- return atom.getFormalCharge() != 0 && atom.getFormalCharge() != 0;`
	`555`	`+ return atom.getFormalCharge() != null && atom.getFormalCharge() != 0;`
`556`	`556`	`}`
`557`	`557`
`558`	`558`	`private boolean isCharge(IAtom atom, int q) {`