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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daba8343eb
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code cleanups
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2008-05-07 04:16:17 +00:00 |
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Greg Landrum
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a788e29511
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merge the changes from the CanonicalizerRework30Nov branch in.
The changes are revs 451:498.
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2008-01-30 14:53:04 +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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83a9f21547
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catch problems caused by sf.net Issue1836576 and throw an exception instead of an invariant error; this is not a real fix, which will require a re-examination of the ring-finding code.
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2007-11-23 06:13:11 +00:00 |
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Santosh Putta
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3f7cbf7e61
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RDKitBase inclue fixed to include from this dir
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2007-06-18 02:59:27 +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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