From: GitHub <no...@gi...> - 2012-09-24 13:55:51
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Branch: refs/heads/cdk-1.4.x Home: https://github.com/cdk/cdk Commit: 3c0d36bfbc2ec763cbc79af1614d59f871cd7652 https://github.com/cdk/cdk/commit/3c0d36bfbc2ec763cbc79af1614d59f871cd7652 Author: Egon Willighagen <eg...@us...> Date: 2012-09-24 (Mon, 24 Sep 2012) Changed paths: M src/main/org/openscience/cdk/inchi/InChIGenerator.java M src/test/org/openscience/cdk/inchi/InChIGeneratorTest.java Log Message: ----------- Added output of ITetrahedralChirality to InChI Change-Id: Ie69b3b3e38790f2ab99f61c11738535dcc1b8cea Signed-off-by: John May <joh...@gm...> Commit: bd922f695524346d949510ad63541d053a40b1d2 https://github.com/cdk/cdk/commit/bd922f695524346d949510ad63541d053a40b1d2 Author: John May <joh...@gm...> Date: 2012-09-24 (Mon, 24 Sep 2012) Changed paths: M src/test/org/openscience/cdk/inchi/InChIGeneratorFactoryTest.java Log Message: ----------- Implemented test for conversion of SMILES with a topological chiral centre. Change-Id: I7703e9c2ca89baa4f3c55ab8b7b58f465510a12b Signed-off-by: Egon Willighagen <eg...@us...> Compare: https://github.com/cdk/cdk/compare/913c7960586d...bd922f695524 |