Commit by shk3 :: r15490 /detgen/trunk/src/org/openscience/cdk/structgen/deterministic/ (2 files): (link)

slight improvement in performance

Commit by shk3 :: r15489 /detgen/trunk/src/org/openscience/cdk/structgen/deterministic/testdata/C6H12O1.sdf: (link)

test file added

Commit by shk3 :: r15488 /detgen/trunk/ (92 files in 3 dirs): (link)

more speedups

Commit by Stefan Kuhn on master :: r758c733 / src/main/org/openscience/cdk/ringsearch/AllRingsFinder.java : (link)

made logging in the AllRingsFinder optional, this helps with performance.

Signed-off-by: Egon Willighagen <egonw at users dot sourceforge dot net> - http://bit.ly/aOXnJk

Commit by Egon Willighagen on master :: r421375b / (3 files in 2 dirs): (link)

Merge branch 'cdk-1.2.x' - http://bit.ly/b3hXzl

Commit by Egon Willighagen on cdk-1.2.x :: rd651c25 / src/main/org/openscience/cdk/atomtype/CDKAtomTypeMatcher.java : (link)

Loosened the perception of N.planar3 atom types: the Hueckel system consist of more than one ring, so looking just at the ring to which the atom belongs does not make sense

Signed-off-by: Rajarshi Guha <rajarshi dot guha at gmail dot com> - http://bit.ly/alT3X0

Commit by Egon Willighagen on master :: rd651c25 / src/main/org/openscience/cdk/atomtype/CDKAtomTypeMatcher.java : (link)

Loosened the perception of N.planar3 atom types: the Hueckel system consist of more than one ring, so looking just at the ring to which the atom belongs does not make sense

Signed-off-by: Rajarshi Guha <rajarshi dot guha at gmail dot com> - http://bit.ly/alT3X0

Commit by Egon Willighagen on cdk-1.2.x :: r83423a7 / (2 files): (link)

Added unit tests for atom type perception of more N.planar3 atom types

Signed-off-by: Rajarshi Guha <rajarshi dot guha at gmail dot com> - http://bit.ly/8Ze66F

Commit by Egon Willighagen on master :: r83423a7 / (2 files): (link)

Added unit tests for atom type perception of more N.planar3 atom types

Signed-off-by: Rajarshi Guha <rajarshi dot guha at gmail dot com> - http://bit.ly/8Ze66F

Commit by shk3 :: r15487 /detgen/trunk/src/org/openscience/cdk/structgen/deterministic/ (5 files): (link)

significant speedup by stopping if fully saturated fragments are
contained.

Commit by shk3 :: r15486 /jchempaint/trunk/src/main/org/openscience/jchempaint/io/JCPSaveFileFilter.java: (link)

Wrong order of types

Commit by shk3 :: r15485 /jchempaint/trunk/src/main/org/openscience/jchempaint/io/JCPSaveFileFilter.java: (link)

Added rxn to saveable files

Commit by annulen :: r15484 /jchempaint/trunk/po/ru.po: (link)

Russian

Commit by shk3 :: r15483 /jchempaint/trunk/src/test/org/openscience/jchempaint/JCPEditorAppletMenuTest.java: (link)

The testMenuCut test failed and I think it just tested for wrong values

Commit by shk3 :: r15482 /jchempaint/trunk/src/main/org/openscience/jchempaint/ (2 files in 2 dirs): (link)

A few changes for the layout of reactions

Commit by egonw :: r15481 /cdk-taverna-paper/trunk/cdk-taverna/bmc_article.tex: (link)

Applied Achim's fixes

Commit by egonw :: r15480 /cdk-taverna-paper/trunk/cdk-taverna/ (bmc_article.pdf bmc_article.tex): (link)

Updated table order for Methods -> Implementation reordering, so that the are numbered correctly again (first 1 then 2)

Commit by egonw :: r15479 /cdk-taverna-paper/trunk/cdk-taverna/ (bmc_article.pdf bmc_article.tex): (link)

Labels must be directly after the caption to show up properly

Commit by egonw :: r15478 /cdk-taverna-paper/trunk/cdk-taverna/ (2 files): (link)

Added current PDFs

Commit by egonw :: r15477 /cdk-taverna-paper/trunk/cdk-taverna/bmc_article.tex: (link)

Removed images once more, as needed for upload to BMC