Greg Landrum
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1efa8e696e
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another clang-format run
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2017-10-12 06:42:15 +02:00 |
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Greg Landrum
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f94e277856
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another pass of clang modernize
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2017-10-12 06:35:51 +02:00 |
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Greg Landrum
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87786c08b5
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Merge branch 'master' into modern_cxx
# Conflicts:
# .travis.yml
# Code/GraphMol/FileParsers/MolFileParser.cpp
# Code/GraphMol/FileParsers/MolFileStereochem.cpp
# Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp
# Code/GraphMol/MolAlign/testMolAlign.cpp
# Code/GraphMol/MolDraw2D/MolDraw2D.cpp
# Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp
# Code/GraphMol/QueryOps.cpp
# Code/GraphMol/ROMol.cpp
# Code/GraphMol/SmilesParse/test.cpp
# Code/GraphMol/Trajectory/Trajectory.cpp
# Code/GraphMol/Wrap/Atom.cpp
# Code/GraphMol/Wrap/Bond.cpp
# Code/GraphMol/new_canon.cpp
# Code/RDGeneral/testDict.cpp
# Code/SimDivPickers/Wrap/MaxMinPicker.cpp
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2017-10-05 05:58:38 +02:00 |
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Patrick Avery
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f30dea195f
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Added C++ version of getBestRMS() (#1568)
getBestRMS() was previously a Python-only function. This
adds a C++ version of the function, and replaces the old version.
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2017-09-16 04:44:06 +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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Doliath Gavid
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7244dd01f3
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Remove autos and magic booleans
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2016-03-26 07:24:38 -07:00 |
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Doliath Gavid
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e25a45679d
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Fix alignMols so that it takes into account of QueryAtoms and QueryBonds
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2016-03-21 14:32:27 -07:00 |
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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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601650e663
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variable rename
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2014-08-06 03:25:08 +02:00 |
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Sereina
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cfd58fbace
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Changes for the calculation of the RMS between conformers
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2014-08-05 14:53:36 +02:00 |
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Sereina
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bb4ea29081
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Changes and additions for the calculation of the RMS between conformers
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2014-08-05 14:46:14 +02:00 |
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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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fe6b29fec1
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dos2unix
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2008-02-22 17:57:57 +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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