Greg Landrum
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c26cbc26cb
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switch to using references to smart pointers for the Match functions;
really ought to re-examine when/how we are passing smart pointers
around in general, but that is a bigger job.
Ref: http://herbsutter.com/2013/06/05/gotw-91-solution-smart-pointer-parameters/
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2014-05-10 06:21:27 +02:00 |
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Greg Landrum
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b45423be3e
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rename makeAtomNumEqualsQuery() to makeAtomNumQuery()
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2013-12-14 09:14:57 +01:00 |
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Greg Landrum
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4a14a52674
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Fixes #153
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2013-11-15 06:47:18 +01:00 |
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Greg Landrum
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5c67981213
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cleanup
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2012-03-22 04:17:47 +00:00 |
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Greg Landrum
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a9e2447b28
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another checkpoint; this seems to be working for the lipinksi and crippen descriptors
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2012-02-25 05:38:09 +00:00 |
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Greg Landrum
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479bacecb3
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initial pass here; note that this is really note done and that some files are temporary
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2012-02-25 03:54:19 +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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052ec66542
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cleanups:
remove x bit from headers and sources;
remove a couple empty files from Code/GraphMol
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2010-09-08 04:25:57 +00:00 |
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Greg Landrum
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ebb196b8f8
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Major thing here: fix and test Issue 1748846 (https://sourceforge.net/tracker/?func=detail&atid=814650&aid=1748846&group_id=160139)
Others:
SmilesParse: clean up some of the smiles generation code
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2007-07-06 17:31:58 +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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