Svn Log


Commit Date  
[r12304] by steinbeck

Ueberarbeitete Version bis einschliesslich "Background"

2008-09-13 15:49:37 Tree
[r12303] by rajarshi

Added more unit tests and test annotations

2008-09-12 22:34:27 Tree
[r12302] by rajarshi

Added more unit tests and test annotations

2008-09-12 22:31:31 Tree
[r12301] by rajarshi

Converted a method to private since it's only used within this class, so no need to make it public

2008-09-12 21:11:07 Tree
[r12300] by rajarshi

Added test annotations

2008-09-12 21:09:41 Tree
[r12299] by rajarshi

Updated SMILES coverage test to use annotations

2008-09-12 20:41:05 Tree
[r12298] by rajarshi

added test annotations, added Javadocs

2008-09-12 20:35:29 Tree
[r12297] by rajarshi

Updated tests to JUnit4, added test annotations, added Javadocs

2008-09-12 20:29:06 Tree
[r12296] by rajarshi

Cleaned up Javadocs

2008-09-12 20:11:20 Tree
[r12295] by rajarshi

Added missing test annotations and made the test a little more rigorous

2008-09-12 19:47:19 Tree
[r12294] by rajarshi

Updated the method that converts 2-letter atom symbols to 1-letter symbols to cover more 2-letter symbols. Also rewrote the code so that it's a little faster and should take into account the fact that some elements will be more common than others (but not rigorously tested)

2008-09-12 16:04:13 Tree
[r12293] by rajarshi

Fixed a serious bug which was not converting atom symbols properly when generating path strings.

Also updated the code to remove the old DFS / unique path search to use the getPathsOfLength method from PathTools. This makes the code a little cleaner but more importantly gives a 4X speedup. Updated unit test to take note of the change in fingerprints. Note that while the code gets the exact same paths as the old code, the order of atom symbols in a given path differs from the old code - hence they hash differenltly leading ot slightly different fingerprints.

2008-09-12 12:19:41 Tree
[r12292] by shk3

updated comment

2008-09-12 08:29:24 Tree
[r12291] by rajarshi

Properly genericized

2008-09-11 22:57:14 Tree
[r12290] by shk3

more cleanup

2008-09-11 17:01:02 Tree
[r12289] by shk3

added the test for average bond length to all tests

2008-09-11 16:48:55 Tree
[r12288] by shk3

this has a fallback, better comments and is cleaned up

2008-09-11 16:33:29 Tree
[r12287] by jonalv

Adapted ReaderFactory to changes in API for CMLReader. This feels like an hack. Please read it and clean up after me sometime... :)

2008-09-11 15:54:45 Tree
[r12286] by shk3

all tests for modelbuilder3d work. I will improve the fallback and add comments, but I want this working state to be committed

2008-09-11 15:31:48 Tree
[r12285] by ospjuth

Updated revision in manifest for Eclipse. This is due to an update to the Bioclipse update site scheduled for later today.

2008-09-11 11:54:17 Tree
[r12284] by egonw

Allowing other folders...

2008-09-11 05:46:35 Tree
[r12283] by egonw

Wrapped with a Ant build.xml script

2008-09-10 19:58:42 Tree
[r12282] by egonw

Initial code for creating eclipse projects

2008-09-10 19:25:54 Tree
[r12281] by shk3

building applet works with manual indexing. see the build.applet comments for details

2008-09-10 15:40:38 Tree
[r12280] by egonw

Added missing class

2008-09-10 14:11:34 Tree
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