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Don’t add null stereo elements (unspecified) to the container.
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Signed-off-by: Stephan Beisken <sbeisken@gmail.com>
Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
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johnmay authored and egonw committed Dec 18, 2013
1 parent 9c6fef2 commit 6716abb
Showing 1 changed file with 8 additions and 3 deletions.
11 changes: 8 additions & 3 deletions src/main/org/openscience/cdk/stereo/StereoElementFactory.java
Original file line number Diff line number Diff line change
Expand Up @@ -110,14 +110,19 @@ public List<IStereoElement> createAll() {
case Tricoordinate:
for (int w : graph[v]) {
if (w > v && bondMap.get(v, w).getOrder() == IBond.Order.DOUBLE) {
if (centers.isStereocenter(w))
elements.add(createGeometric(v, w));
if (centers.isStereocenter(w)) {
IStereoElement element = createGeometric(v, w);
if (element != null)
elements.add(element);
}
break;
}
}
break;
case Tetracoordinate:
elements.add(createTetrahedral(v));
IStereoElement element = createTetrahedral(v);
if (element != null)
elements.add(element);
break;
}
}
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