From 025fb472b82678079b1ef6c97d55c0ddfee26e36 Mon Sep 17 00:00:00 2001 From: Stefan Kuhn Date: Fri, 31 Jul 2009 13:50:38 +0100 Subject: [PATCH] corrected bug in bondtools.isStereo(IAtomContainer container, IAtom stereoAtom). A comparision of atom symbols in a nested loop was using the counter of the outer loop twice. Note it worked before, because there is a sort of fallback to Morgan numbers. fallback to morgan (fixes #2830287) Signed-off-by: Egon Willighagen --- src/main/org/openscience/cdk/geometry/BondTools.java | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/main/org/openscience/cdk/geometry/BondTools.java b/src/main/org/openscience/cdk/geometry/BondTools.java index 62282446d5f..02130474fb5 100644 --- a/src/main/org/openscience/cdk/geometry/BondTools.java +++ b/src/main/org/openscience/cdk/geometry/BondTools.java @@ -427,7 +427,7 @@ public static boolean isStereo(IAtomContainer container, IAtom stereoAtom) boolean isDifferent = true; for (int k = 0; k < i; k++) { - if (atoms.get(i).getSymbol().equals(atoms.get(i).getSymbol())) + if (atoms.get(i).getSymbol().equals(atoms.get(k).getSymbol())) { isDifferent = false; break;