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rdkit
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Release_2018_03
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rdkit
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Code
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GraphMol
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MolHash
History
Greg Landrum
f35e04403a
replace the usage of rdk_auto_ptr with std::unique_ptr (
#1752
)
...
That is what was being used for modern c++ anyway
2018-02-14 19:49:47 -05:00
..
Wrap
replace the usage of rdk_auto_ptr with std::unique_ptr (
#1752
)
2018-02-14 19:49:47 -05:00
CMakeLists.txt
Add initial version of molecule hashing
2015-02-17 04:03:48 +01:00
HashToString.cpp
first pass, using google style
2015-11-14 14:58:11 +01:00
MolHash.cpp
another pass of clang modernize
2017-10-12 06:35:51 +02:00
MolHash.h
first pass, using google style
2015-11-14 14:58:11 +01:00
testMolHash.cpp
run clang-format with c++-11 style over that
2017-04-22 17:19:10 +02:00