From 6fdb8669a49a0defbb6d903a8d492f5e0ee52596 Mon Sep 17 00:00:00 2001 From: maclean Date: Sat, 2 Oct 2010 22:46:04 +0100 Subject: [PATCH] Check for a null major isotope, which happens with R-groups Signed-off-by: Rajarshi Guha --- src/main/org/openscience/cdk/smiles/SmilesGenerator.java | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/main/org/openscience/cdk/smiles/SmilesGenerator.java b/src/main/org/openscience/cdk/smiles/SmilesGenerator.java index 6fdc0ef3198..83bce90653a 100644 --- a/src/main/org/openscience/cdk/smiles/SmilesGenerator.java +++ b/src/main/org/openscience/cdk/smiles/SmilesGenerator.java @@ -1825,7 +1825,7 @@ private String generateMassString(IAtom a) } IIsotope majorIsotope = isotopeFactory.getMajorIsotope(a.getSymbol()); - if (majorIsotope.getMassNumber() == a.getMassNumber()) + if (majorIsotope == null || majorIsotope.getMassNumber() == a.getMassNumber()) { return ""; } else if (a.getMassNumber() == null)