Ricardo Rodriguez
7b7a8a4e17
Refactor iostreams includes ( #8846 )
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* refactor iostreams includes
* restore ostream to MonomerInfo.cpp
2025-10-08 16:08:01 +02:00
David Cosgrove
07bcf45126
Use smart pointer for bits. ( #7884 )
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Add move c'tor/operator=.
Co-authored-by: David Cosgrove <david@cozchemix.co.uk >
2024-10-05 07:30:55 +02:00
Greg Landrum
d41752d558
run clang-tidy with readability-braces-around-statements ( #2899 )
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* run clang-tidy with readability-braces-around-statements
clang-format the results
clean up all the parts that clang-tidy-8 broke
* fix problem on windows
2020-01-25 14:19:32 +01:00
Greg Landrum
d8c49e6dab
Code cleanups from PVS/Studio ( #2531 )
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* first round of cleanups based on PVS-studio suggestions
* a couple more
* a few more cleanups
* another round of cleanups
* undo one of those cleanups
we want the integer rounding behavior here
* add a comment to make that clear
* Fix for filter catalog PRECONDITION redundancy
2019-07-13 07:25:37 +02:00
Brian Kelley
373a89021e
Change boost int types to std types ( #2233 )
2019-01-22 17:45:03 +01:00
Greg Landrum
7c0bb0b743
clang-tidy output
2017-04-22 17:09:24 +02:00
Greg Landrum
e08e0d16d8
first pass, using google style
2015-11-14 14:58:11 +01:00
Greg Landrum
2a75463959
get rid of some more warnings
2015-11-14 09:21:05 +01:00
Riccardo Vianello
7c346d7c2e
Code/RDBoost/Exceptions.h moved to Code/RDGeneral
2015-03-16 22:31:48 +01:00
Schneider
3af5ba223c
ExplicitBitVect: Add +operator to concatenate two ExplicitBitVects
2014-08-19 12:59:50 +02:00
Greg Landrum
b9e129dd2f
fix a memory leak with operator= for ExplicitBitVect
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thanks to Alex S for pointing it out
2014-07-01 06:38:57 +02:00
Sereina Riniker
7cf9b1418c
explicit bitvect with all ones updated
2014-04-09 07:37:08 +02:00
Sereina Riniker
e927eb2111
explicit bitvect with all ones updated
2014-04-09 07:35:41 +02:00
Sereina Riniker
3ea1ad93e6
explicit bitvect with all ones updated
2014-04-08 11:11:35 +02:00
Sereina Riniker
52ce73219e
explicit bitvect with all ones added
2014-04-07 12:54:20 +02:00
Greg Landrum
9f4471f872
more on #204
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A few other cleanups
2014-02-06 06:43:28 +01:00
Greg Landrum
3b3d44db16
remove exe property from source files
2011-01-13 04:22:56 +00:00
Greg Landrum
f3fbef45c5
update copyright statements
2010-09-26 17:04:37 +00:00
Greg Landrum
20096c76a9
refactoring of the BitVect interface to make capitalization consistent
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w/ the rest of the RDKit. i.e.: SetNumBits -> setNumBits
2010-05-30 15:15:46 +00:00
Greg Landrum
9cabf87374
remove vflib from Jamfiles
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remove const specifiers from return values in DataStructs
add initial pass at query-query matching for Atoms and Bonds
fix and test for sf.net issu 2738320
add Mol.AddRecursiveQuery() method to Mol
2009-06-29 11:47:38 +00:00
Greg Landrum
029e08d6b4
merge in the changes from the 64 bit port branch r703:717
2008-06-11 05:01:17 +00:00
Greg Landrum
8b3de2e02e
Fix and test sf.net bug 1719831 ( http://sourceforge.net/tracker/index.php?func=detail&aid=1719831&group_id=160139&atid=814650 )
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Cleanup similar issues in UniformGrid3D
MolOps.cpp: docs patch
2007-05-16 08:14:44 +00:00
Greg Landrum
46a9636b42
onbit counts in results of operator&, operator|, operator^, etc. were incorrect
2007-03-25 06:45:12 +00:00
Greg Landrum
5587bc66a7
store an explicit member with the number of on bits; this enables some forthcoming optimizations
2007-03-24 05:43:22 +00:00
Greg Landrum
5d03333c22
setup svn keywords (should have done this before import... grn)
2006-05-06 22:54:39 +00:00
Greg Landrum
75a79b6327
initial import
2006-05-06 22:20:08 +00:00
