[Cdk-commits] [cdk/cdk] 7d13b4: Allow direct provision of the adjacent list to the...

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  Branch: refs/heads/master
  Home:   https://github.com/cdk/cdk
  Commit: 7d13b4b54e2e533efe47471860f0ebd084c0f23f
      https://github.com/cdk/cdk/commit/7d13b4b54e2e533efe47471860f0ebd084c0f23f
  Author: John May <joh...@gm...>
  Date:   2013-12-21 (Sat, 21 Dec 2013)

  Changed paths:
    M src/main/org/openscience/cdk/graph/CycleFinder.java
    M src/main/org/openscience/cdk/graph/Cycles.java

  Log Message:
  -----------
  Allow direct provision of the adjacent list to the cycle finder. This will allow us to apply some optimisations in aromaticity.

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


  Commit: 6cccd2c6db4958669b8278278b4af9dfc740c73b
      https://github.com/cdk/cdk/commit/6cccd2c6db4958669b8278278b4af9dfc740c73b
  Author: John May <joh...@gm...>
  Date:   2013-12-21 (Sat, 21 Dec 2013)

  Changed paths:
    M src/test/org/openscience/cdk/graph/CyclesTest.java

  Log Message:
  -----------
  Test the number of cycles found is the same when using the new method.

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


  Commit: 5af2592b540d0c62160bff9c83ad0d1a33a5439d
      https://github.com/cdk/cdk/commit/5af2592b540d0c62160bff9c83ad0d1a33a5439d
  Author: John May <joh...@gm...>
  Date:   2013-12-21 (Sat, 21 Dec 2013)

  Changed paths:
    M src/main/org/openscience/cdk/aromaticity/Aromaticity.java

  Log Message:
  -----------
  Avoid re-conversion of the CDK container.

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


  Commit: e59610685a33d752655919fb5b3b941eef8faa39
      https://github.com/cdk/cdk/commit/e59610685a33d752655919fb5b3b941eef8faa39
  Author: John May <joh...@gm...>
  Date:   2013-12-21 (Sat, 21 Dec 2013)

  Changed paths:
    M src/main/org/openscience/cdk/aromaticity/Aromaticity.java
    M src/test/org/openscience/cdk/aromaticity/AromaticityTest.java

  Log Message:
  -----------
  Reinstates the behaviour of the CDKHueckelAromaticityDetector in that all atoms that can not be in an aromatic system are removed before finding the rings. This has little performance gain but it does allow us to exactly mimic the behaviour of the CDKHueckelAromaticityDetector for backwards compatibility.

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


Compare: https://github.com/cdk/cdk/compare/98b1b3cb8d42...e59610685a33