-
- Downloads
refactoring of PocketFinder
- Incorporate changes from Pablo: - Correct base transform to represent positions relative to a triangle - initial superposition given matching triangles - Initial superposition given matching triangles is now done iteratively - Use different hash map as it proved to be faster - Add IO capability to Query objects - Allow to find several solutions at once - Improvements/Speedups/Bugfixes
Showing
- core/src/eigen_types.hh 2 additions, 0 deletionscore/src/eigen_types.hh
- modelling/pymod/export_pocket_finder.cc 44 additions, 3 deletionsmodelling/pymod/export_pocket_finder.cc
- modelling/src/CMakeLists.txt 1 addition, 3 deletionsmodelling/src/CMakeLists.txt
- modelling/src/hopscotch_growth_policy.h 0 additions, 301 deletionsmodelling/src/hopscotch_growth_policy.h
- modelling/src/hopscotch_hash.h 0 additions, 1828 deletionsmodelling/src/hopscotch_hash.h
- modelling/src/hopscotch_map.h 0 additions, 716 deletionsmodelling/src/hopscotch_map.h
- modelling/src/pocket_finder.cc 397 additions, 84 deletionsmodelling/src/pocket_finder.cc
- modelling/src/pocket_finder.hh 26 additions, 2 deletionsmodelling/src/pocket_finder.hh
- modelling/src/robin_hood.h 2063 additions, 0 deletionsmodelling/src/robin_hood.h
Loading
Please register or sign in to comment