kelley
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5dbec2fe85
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Adds rdcasts where appropriate
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2015-11-29 17:52:27 -05:00 |
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Greg Landrum
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e08e0d16d8
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first pass, using google style
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2015-11-14 14:58:11 +01:00 |
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Greg Landrum
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18e251dda6
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remove more extraneous preconditions
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2013-12-02 04:15:43 +01:00 |
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Greg Landrum
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f5eb640766
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fix and test Issue3549146
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2012-07-26 14:34:35 +00:00 |
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Greg Landrum
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9d039aaaf5
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make the "not initialized" error message moderately more informative
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2012-05-24 05:56:08 +00:00 |
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Greg Landrum
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f3fbef45c5
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update copyright statements
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2010-09-26 17:04:37 +00:00 |
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Greg Landrum
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023f7b4f0f
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Merge changes from the iterative chirality branch:
https://rdkit.svn.sourceforge.net/svnroot/rdkit/branches/IterativeChirality_20Aug2008
into the trunk.
This covers revs 798-828.
Dependent chirality should now be correctly handled, but the
handling of ring stereochemistry, i.e. things like:
C[C@H]1CC[C@H](C)CC1
is still not 100% correct.
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2008-09-19 09:40:15 +00:00 |
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Greg Landrum
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0e841e65b9
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oops
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2008-09-04 15:54:02 +00:00 |
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Greg Landrum
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4702ed3e20
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partial fixes (not thoroughly tested, needing more cleanup) for bug 2091839; this mainly has to do with fixing the treatment of radicals
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2008-09-04 13:02:07 +00:00 |
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Greg Landrum
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ac5a7d72c7
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these are no longer needed
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2008-07-07 06:36:34 +00:00 |
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Greg Landrum
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ceec61a3a3
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fix and test sf.net issue 1968608
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2008-05-22 05:53:00 +00:00 |
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Greg Landrum
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98b90f2ae9
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- fix sf.net issue 1836223: "r" misinterpreted in SMARTS queries
http://sourceforge.net/tracker/index.php?func=detail&aid=1836223&group_id=160139&atid=814650
- some general code cleanups in the query handling
(needs to be tested on windows)
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2008-01-15 06:43:09 +00:00 |
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Greg Landrum
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5d03333c22
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setup svn keywords (should have done this before import... grn)
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2006-05-06 22:54:39 +00:00 |
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Greg Landrum
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75a79b6327
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initial import
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2006-05-06 22:20:08 +00:00 |
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