From: GitHub <no...@gi...> - 2012-10-29 18:20:46
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Branch: refs/heads/cdk-1.4.x Home: https://github.com/cdk/cdk Commit: 48e6060db8f0d96c325c786a1269db3c103b669a https://github.com/cdk/cdk/commit/48e6060db8f0d96c325c786a1269db3c103b669a Author: Egon Willighagen <eg...@us...> Date: 2012-10-29 (Mon, 29 Oct 2012) Changed paths: M src/main/org/openscience/cdk/atomtype/CDKAtomTypeMatcher.java M src/test/org/openscience/cdk/atomtype/CDKAtomTypeMatcherTest.java Log Message: ----------- There is no Se.2 atom type in the CDK; the perception seems to match Se atoms with two neighbors; I added two unit tests for the changed code, assuming one and two implicit hydrogens Change-Id: Ia4494541ce859b952f6c994e392248e80130ced2 Signed-off-by: John May <joh...@gm...> |