[Cdk-commits] [cdk/cdk] 658546: Triplet = 2 unpaired electrons, not currently repr...

[GitHub <no...@gi...>]

  Branch: refs/heads/master
  Home:   https://github.com/cdk/cdk
  Commit: 658546da278d3bab887f56192a0c9c2e7e282246
      https://github.com/cdk/cdk/commit/658546da278d3bab887f56192a0c9c2e7e282246
  Author: John May <joh...@gm...>
  Date:   2014-04-06 (Sun, 06 Apr 2014)

  Changed paths:
    M storage/io/src/main/java/org/openscience/cdk/io/MDLV2000Writer.java
    M storage/io/src/test/java/org/openscience/cdk/io/MDLV2000ReaderTest.java
    M storage/io/src/test/java/org/openscience/cdk/io/MDLV2000WriterTest.java

  Log Message:
  -----------
  Triplet = 2 unpaired electrons, not currently represented.

Signed-off-by: Egon Willighagen <eg...@us...>


  Commit: 36e2bccbbbc672944112d64a782c4b167478ed9c
      https://github.com/cdk/cdk/commit/36e2bccbbbc672944112d64a782c4b167478ed9c
  Author: John May <joh...@gm...>
  Date:   2014-04-06 (Sun, 06 Apr 2014)

  Changed paths:
    M storage/io/src/main/java/org/openscience/cdk/io/MDLV2000Reader.java
    A storage/io/src/main/resources/org/openscience/cdk/io/structure-with-radical.mol
    M storage/io/src/test/java/org/openscience/cdk/io/MDLV2000ReaderTest.java

  Log Message:
  -----------
  Unpaired electrons affect hydrogen count.

Signed-off-by: Egon Willighagen <eg...@us...>


Compare: https://github.com/cdk/cdk/compare/df644b0d7996...36e2bccbbbc6