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2a754639594a94de64080795b6cb72b942911101
rdkit/Code/GraphMol/FragCatalog
History
Brian Kelley fb84c9f0b7 Switches to URANGE_CHECK when appropriate
2015-10-18 21:14:02 -04:00
..
test_data
initial import
2006-05-06 22:20:08 +00:00
testExecs
initial import
2006-05-06 22:20:08 +00:00
Wrap
Suppresses Boost warnings
2015-10-18 13:41:03 -04:00
CMakeLists.txt
merge in a set of changes from Riccardo V. to install .h files as well;
2010-09-04 14:07:22 +00:00
FragCatalogEntry.cpp
Some performance fixes for the new canonicalization
2015-04-15 18:42:29 +02:00
FragCatalogEntry.h
Change to const std::string & API
2015-09-25 15:15:21 -04:00
FragCatalogUtils.cpp
Dictionary access is saniztized and optimized.
2015-01-15 12:23:29 -05:00
FragCatalogUtils.h
update copyright statements
2010-09-26 17:04:37 +00:00
FragCatGenerator.cpp
update copyright statements
2010-09-26 17:04:37 +00:00
FragCatGenerator.h
remove a compiler warning
2014-05-13 03:47:41 -04:00
FragCatParams.cpp
Switches to URANGE_CHECK when appropriate
2015-10-18 21:14:02 -04:00
FragCatParams.h
Change to const std::string & API
2015-09-25 15:15:21 -04:00
FragFPGenerator.cpp
code cleanup: removing compiler warnings
2014-05-08 06:06:07 +02:00
FragFPGenerator.h
update copyright statements
2010-09-26 17:04:37 +00:00
test1.cpp
update to new canonicalization
2014-12-31 06:39:41 +00:00
test_list.py
now all tests pass here as well
2009-02-03 05:26:10 +00:00
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