Greg Landrum
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915cf08faa
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run clang-format with c++-11 style over that
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2017-04-22 17:19:10 +02:00 |
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Greg Landrum
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7c0bb0b743
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clang-tidy output
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2017-04-22 17:09:24 +02:00 |
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Greg Landrum
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c0a820fb87
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tversky basics work; still need better testing at the FPB level
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2016-01-18 10:15:05 +01:00 |
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Greg Landrum
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7c0d4bdd89
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add bitmap version of AllProbeBitsMatch()
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2016-01-12 12:09:55 +01:00 |
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Greg Landrum
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dea28eb2fc
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add tests for the bitmap bitops
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2016-01-12 12:09:54 +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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Brian Kelley
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54311dff9c
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Suppresses warnings in tests
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2015-10-18 16:09:58 -04:00 |
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Riccardo Vianello
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7c346d7c2e
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Code/RDBoost/Exceptions.h moved to Code/RDGeneral
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2015-03-16 22:31:48 +01:00 |
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Schneider
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3af5ba223c
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ExplicitBitVect: Add +operator to concatenate two ExplicitBitVects
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2014-08-19 12:59:50 +02:00 |
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Sereina Riniker
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52ce73219e
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explicit bitvect with all ones added
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2014-04-07 12:54:20 +02:00 |
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Greg Landrum
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05840816cd
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Add Rogot Goldberg and AllBit similarity to C++ and the python wrapper.
(contribution from Sereina Riniker)
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2013-01-08 15:10:51 +00:00 |
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Greg Landrum
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3a3b582d28
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clean up + add support for D and T in molecular formula
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2012-07-27 06:16:45 +00:00 |
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Greg Landrum
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c064c170a9
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another attempt at an endian fix
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2012-05-28 14:53:23 +00:00 |
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Greg Landrum
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a4304f95ab
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an attempt to resolve the problem with serialization and endian-ness
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2012-05-21 04:18:51 +00:00 |
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Greg Landrum
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2da097b95c
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fix some edge cases with FPS text and binary text for fingerprints
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2012-01-10 03:47:23 +00:00 |
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Greg Landrum
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b6300a86fe
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support bit vects <-> byte strings
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2012-01-08 06:12:47 +00:00 |
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Greg Landrum
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05bc49c452
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support initializing from FPS text as well as creating it; add some tests
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2011-12-20 05:24:06 +00:00 |
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Greg Landrum
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a574c1f017
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add support for generating FPS-style hex strings
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2011-12-18 14:20:00 +00:00 |
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Greg Landrum
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651edcd751
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fix and tests issue 3295215
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2011-04-30 03:15:46 +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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20096c76a9
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refactoring of the BitVect interface to make capitalization consistent
w/ the rest of the RDKit. i.e.: SetNumBits -> setNumBits
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2010-05-30 15:15:46 +00:00 |
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Greg Landrum
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423433a3e4
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support Tversky similarity for SparseIntVects
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2009-06-18 14:37:03 +00:00 |
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Greg Landrum
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ba8454586b
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initial version of Tversky similarity (feature request 2015633) along with a bit of refactoring
http://sourceforge.net/tracker/index.php?func=detail&aid=2015633&group_id=160139&atid=814653
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2008-07-11 11:13:03 +00:00 |
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Greg Landrum
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013fbde5b6
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finish cleaning up the base64 code and fixing a core leak; add a test as well
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2008-07-09 06:46:26 +00:00 |
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Greg Landrum
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940a9733b9
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add operator== and operator!= to BitVects
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2008-06-16 07:09:13 +00:00 |
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Greg Landrum
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029e08d6b4
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merge in the changes from the 64 bit port branch r703:717
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2008-06-11 05:01:17 +00:00 |
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Greg Landrum
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62cf27be2a
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this makes it build under windows
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2008-04-25 03:36:31 +00:00 |
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Greg Landrum
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10faff5964
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add "distance" support; some code cleanup
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2008-04-24 09:04:50 +00:00 |
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Greg Landrum
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93834a90bd
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remove support for the useAbs function;
add bounds support on the dice metric
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2007-10-05 15:35:11 +00:00 |
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Greg Landrum
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0ab0653c18
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move DiceSimilarity code into c++
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2007-10-04 03:34:06 +00:00 |
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Greg Landrum
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67f7dab587
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fix a problem with __len__ in python (can't do it if we return a Long);
wrap GetLength() instead;
add getNonzeroElements()
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2007-09-28 03:45:03 +00:00 |
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Greg Landrum
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1fa8cd321b
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add SparseIntVect in both c++ and Python
This still needs windows testing.
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2007-09-22 18:49:37 +00:00 |
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Greg Landrum
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37bf5f56f8
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add operator+, operator-, operator+=, and operator -=
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2007-03-17 06:55:53 +00:00 |
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Greg Landrum
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e66f08dc33
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support operator& and operator|;
some doc cleanups;
fix a problem in the copy ctor for DiscreteValueVect
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2007-03-15 05:59:08 +00:00 |
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Greg Landrum
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f31ac073b5
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add pickle support to the UniformGrid and DiscreteValueVect classes;
This still needs to be checked on linux
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2007-01-26 04:41:36 +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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