reza bagheri alashti
bd73a574ad
Docs: fix CosineSimilarity formula and clarify similarity metric names in BitOps.h ( #9264 )
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* Fix CosineSimilarity doc formula and clarify similarity metric names in BitOps.h
* Fix CosineSimilarity formula in BitOps.h and adjust similarity docs
2026-05-06 17:12:53 +02:00
Greg Landrum
da6cd73168
Run clang-format across everything ( #7849 )
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* run clang-format-18 across Code/*.cpp and Code/*.h
* run clang-format-18 across External
2024-09-26 13:39:02 +02:00
Eisuke Kawashima
27f711a658
Run clang-tidy (readability-braces-around-statements) ( #4977 )
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https://github.com/rdkit/rdkit/pull/3024#discussion_r526549843
2022-03-10 08:00:10 +01:00
jasondbiggs
5065340b20
a few doxygen comment fixes ( #4368 )
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* collection of doxygen fixes
* more files with fixed doxygen comments
* more doxygen fixes
* more doxygen fixes
* last set of doxygen comment fixes
Co-authored-by: Jason Biggs <jasonb@wolfram.com >
2021-08-09 04:58:01 +02:00
Greg Landrum
ec31bea97b
clang-tidy-7 pass ( #2408 )
2019-04-16 12:05:47 -04:00
Greg Landrum
2738c35178
Fixes #1903 ( #1971 )
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* Fixes #1903
* update SWIG bindings too
2018-07-25 09:14:17 +02:00
Paolo Tosco
c08ea49bda
- enable building DLLs on Windows ( #1861 )
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* - enable building DLLs on Windows
* - export.h and test.h are now auto-generated by CMake
2018-05-16 08:42:41 +02:00
Greg Landrum
7c0d4bdd89
add bitmap version of AllProbeBitsMatch()
2016-01-12 12:09:55 +01:00
Greg Landrum
72ab79508e
add CalcBitmapPopcount()
2016-01-12 12:09:54 +01:00
Greg Landrum
6bd2c20ac0
all tests pass
2016-01-12 12:09:53 +01:00
Greg Landrum
e08e0d16d8
first pass, using google style
2015-11-14 14:58:11 +01:00
Greg Landrum
05840816cd
Add Rogot Goldberg and AllBit similarity to C++ and the python wrapper.
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(contribution from Sereina Riniker)
2013-01-08 15:10:51 +00:00
Greg Landrum
204029ce08
add another specialization to make this faster
2012-09-21 05:33:51 +00:00
Greg Landrum
b6300a86fe
support bit vects <-> byte strings
2012-01-08 06:12:47 +00:00
Greg Landrum
39e986b775
updates to docs and release notes
2012-01-07 06:53:11 +00:00
Greg Landrum
05bc49c452
support initializing from FPS text as well as creating it; add some tests
2011-12-20 05:24:06 +00:00
Greg Landrum
a574c1f017
add support for generating FPS-style hex strings
2011-12-18 14:20:00 +00:00
Greg Landrum
f3fbef45c5
update copyright statements
2010-09-26 17:04:37 +00:00
Greg Landrum
052ec66542
cleanups:
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remove x bit from headers and sources;
remove a couple empty files from Code/GraphMol
2010-09-08 04:25:57 +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
423433a3e4
support Tversky similarity for SparseIntVects
2009-06-18 14:37:03 +00:00
Greg Landrum
ba8454586b
initial version of Tversky similarity (feature request 2015633) along with a bit of refactoring
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http://sourceforge.net/tracker/index.php?func=detail&aid=2015633&group_id=160139&atid=814653
2008-07-11 11:13:03 +00:00
Greg Landrum
10faff5964
add "distance" support; some code cleanup
2008-04-24 09:04:50 +00:00
Greg Landrum
3299bb7eaa
move the SimilarityWrapper func out of the python wrapper and into the main c++ interface... it is of general interest
2007-10-25 04:25:18 +00:00
Greg Landrum
a73711e854
batch dos2unix conversion; untabify
2007-03-14 04:46:26 +00:00
Greg Landrum
75a79b6327
initial import
2006-05-06 22:20:08 +00:00
