Greg Landrum
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168d45ebc9
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further improvements in handling queries from MDL mol files
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2007-08-07 17:32:30 +00:00 |
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Greg Landrum
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f56de77b25
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cleanups
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2007-07-22 15:23:26 +00:00 |
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Greg Landrum
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3e7dbcf66a
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start to add better support for MDL mol files.
this is sf.net issue 1756962: https://sourceforge.net/tracker/?func=detail&atid=814653&aid=1756962&group_id=160139
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2007-07-19 16:41:11 +00:00 |
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Greg Landrum
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47c222e3d5
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clear up some compiler warnings
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2007-05-04 04:59:30 +00:00 |
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Greg Landrum
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9bd4c59606
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substantial optimization of SD/mol file parsing;some reformattig
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2007-03-20 21:06:37 +00:00 |
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Greg Landrum
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9d6d55b523
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just a backup commit; this isn't quite done yet
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2007-03-02 06:21:59 +00:00 |
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Greg Landrum
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28c3224c9b
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MolFileParser: move the chirality setting inside the sanitization test
FileParsers.vcproj: remove optimization (under vc++) for two files. This is a "fix" for what I believe to be a vc++ compiler bug. See issue 1607290 (http://sourceforge.net/tracker/index.php?func=detail&aid=1607290&group_id=160139&atid=814650)
testMolWriter.cpp: update memory corruption test
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2006-12-21 04:45:37 +00:00 |
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Greg Landrum
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cab9793963
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small cleanups
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2006-12-17 15:00:41 +00:00 |
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Greg Landrum
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688ed25c88
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fix and test SF.net bug 1603923
(https://sourceforge.net/tracker/?func=detail&atid=814650&aid=1603923&group_id=160139)
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2006-11-27 17:53:02 +00:00 |
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Greg Landrum
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e66c87a322
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we shouldn't have been labelling things 'Xe'
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2006-10-31 17:47:55 +00:00 |
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Greg Landrum
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e56716953d
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throw an exception with zero-atom molecules; untabify
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2006-10-29 07:01:39 +00:00 |
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Greg Landrum
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a890611a22
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merge back in changes from ChemTransforms (r30:51);
the makefile for linux is still missing (I have one, I just need to retrieve it)
but otherwise this is in pretty good shape.
err, I think so at least.
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2006-09-15 16:44:38 +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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