[Cdk-commits] [cdk/cdk] b24820: Added a constructor to set a custom ring finder in...

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

Branch: refs/heads/master
Home:   http://github.com/cdk/cdk

Commit: b24820bcda20936fcb3ccf4fdf2ab3257ac90106
    http://github.com/cdk/cdk/commit/b24820bcda20936fcb3ccf4fdf2ab3257ac90106
Author: Egon Willighagen <eg...@us...>
Date:   2010-10-16 (Sat, 16 Oct 2010)

Changed paths:
  M src/main/org/openscience/cdk/smiles/DeduceBondSystemTool.java
  M src/test/org/openscience/cdk/smiles/DeduceBondSystemToolTest.java

Log Message:
-----------
Added a constructor to set a custom ring finder instance (e.g. with a time out set)

Signed-off-by: Rajarshi Guha <raj...@gm...>


Commit: 6490f276319be061e02d6e50474c917c9229a7fa
    http://github.com/cdk/cdk/commit/6490f276319be061e02d6e50474c917c9229a7fa
Author: Egon Willighagen <eg...@us...>
Date:   2010-10-16 (Sat, 16 Oct 2010)

Changed paths:
  M src/main/org/openscience/cdk/smiles/DeduceBondSystemTool.java

Log Message:
-----------
Because the DeduceBondSystemTool does not consider rings with more than 7 atoms, we can speed up ring finding by setting the (new) maxRingSize parameter

Signed-off-by: Rajarshi Guha <raj...@gm...>


Commit: dbac50a654ba9f1280d58ec93f1509f55e6b7668
    http://github.com/cdk/cdk/commit/dbac50a654ba9f1280d58ec93f1509f55e6b7668
Author: Egon Willighagen <eg...@us...>
Date:   2010-10-16 (Sat, 16 Oct 2010)

Changed paths:
  M src/test/org/openscience/cdk/smiles/DeduceBondSystemToolTest.java

Log Message:
-----------
Added testing of the isOK() method

Signed-off-by: Rajarshi Guha <raj...@gm...>


Commit: 7a6fb303312f4e2588e42fbc7f3f316fef89b87d
    http://github.com/cdk/cdk/commit/7a6fb303312f4e2588e42fbc7f3f316fef89b87d
Author: Egon Willighagen <eg...@us...>
Date:   2010-10-16 (Sat, 16 Oct 2010)

Changed paths:
  M src/main/org/openscience/cdk/smiles/DeduceBondSystemTool.java

Log Message:
-----------
Three fixes: extended the JavaDoc, reset the isInterrupted boolean when an interruption occured, and marked how interruption should be used (which means sequential calls, not parallel)

Signed-off-by: Rajarshi Guha <raj...@gm...>