Greg Landrum cb6caa161b Add option to only include shortest paths for topological torsion fingerprints (#6090) ...

* get findAllPaths versions working

* add that to the python wrapper

* add overlooked test file

* update test

* change in response to review

2023-02-20 11:13:53 +01:00

..

testExecs

Unset executable flag

2019-10-10 20:18:43 +09:00

catch_tests.cpp

Add option to only include shortest paths for topological torsion fingerprints (#6090)

2023-02-20 11:13:53 +01:00

CMakeLists.txt

Add option to only include shortest paths for topological torsion fingerprints (#6090)

2023-02-20 11:13:53 +01:00

Subgraphs.cpp

Add option to only include shortest paths for topological torsion fingerprints (#6090)

2023-02-20 11:13:53 +01:00

Subgraphs.h

Add option to only include shortest paths for topological torsion fingerprints (#6090)

2023-02-20 11:13:53 +01:00

SubgraphUtils.cpp

swap boost::tuple to std::tuple (#5851)

2022-12-16 16:01:19 +01:00

SubgraphUtils.h

swap boost::tuple to std::tuple (#5851)

2022-12-16 16:01:19 +01:00

test1.cpp

Fix typo (#2862)

2019-12-31 06:43:27 +01:00

test2.cpp

[ENH]: Support greater use of findAtomEnvironmentOfRadiusN() (#4970)

2022-03-09 14:01:24 +01:00