Paolo Tosco
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f7c888844d
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moved test.h from RDBoost to RDGeneral for consistency with export.h (#2074)
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2018-10-11 17:35:23 -04:00 |
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Paolo Tosco
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c08ea49bda
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- enable building DLLs on Windows (#1861)
* - enable building DLLs on Windows
* - export.h and test.h are now auto-generated by CMake
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2018-05-16 08:42:41 +02:00 |
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Greg Landrum
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26718fd45f
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Fixes #1756 (#1757)
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2018-02-22 03:43:46 +01:00 |
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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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da9de0b520
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Fixes #103
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2013-10-18 05:41:02 +02:00 |
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Greg Landrum
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c95d57aa54
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add in-place form of addHs()
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2013-10-04 07:58:53 +02:00 |
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Greg Landrum
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14e396c26d
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refactoring the SMILES parser to make it more efficient
NOTE: this changes the ordering of bonds in molecules with branches.
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2012-08-28 04:01:49 +00:00 |
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Greg Landrum
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28747ea745
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checkin some fragment and fingerprint changes. these are not yet well tested
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2011-01-14 06:24:03 +00:00 |
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Greg Landrum
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3b3d44db16
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remove exe property from source files
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2011-01-13 04:22:56 +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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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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