Commits · master · structural-fragment-search / Super · GitLab

Jul 31, 2018
- Upload alpha module to PyPI · 440bf39e
  James Collier authored Jul 31, 2018
  
  440bf39e
- Make the pysuper package more idiomatic · 66a793d8
  James Collier authored Jul 31, 2018
  66a793d8
Jul 30, 2018
- Clean up and fix linter and compiler warnings · e7c82912
  James Collier authored Jul 30, 2018
  
  e7c82912
- Initial commit for pysuper module · 445cdee5
  James Collier authored Jul 30, 2018
  
  445cdee5
- Add new API: db_meta_by_index · 162222b2
  James Collier authored Jul 30, 2018
  
  162222b2
- Guard against negative RMSD values · 330e7f61
  James Collier authored Jul 30, 2018
  
  330e7f61
- Remove arguments.c from the library · fe814b67
  James Collier authored Jul 30, 2018
  
  fe814b67
- Fix type for detecting the number of threads · 8f94df28
  James Collier authored Jul 30, 2018
  
  8f94df28
Jul 27, 2018
- Add a gitignore file · 369c706b
  James Collier authored Jul 27, 2018
  
  369c706b
Jul 25, 2018
- Merge branch 'master' of gitlab.com:structural-fragment-search/super · 21261acb
  James Collier authored Jul 25, 2018
  
  21261acb
- Seperate core functionality into a dynamic library · 6da7e0dd
  James Collier authored Jul 25, 2018
  
  6da7e0dd
Jun 08, 2018
- Added clang-tools-4.0 for scan-build dependency · d457cd56
  James Collier authored Jun 08, 2018
  
  d457cd56
- Add pkgconf package to build and test targets · ae48cf6e
  James Collier authored Jun 08, 2018
  
  ae48cf6e
- Try using Debian testing docker image · 86bd3164
  James Collier authored Jun 08, 2018
  
  86bd3164
- Workaround for biopython install didn't work, trying to install from apt · bd09186b
  James Collier authored Jun 08, 2018
  
  bd09186b
- Attempting a workaround for a biopython install problem · 0dfb9020
  James Collier authored Jun 08, 2018
  0dfb9020
- Fix handling of the version command line argument · a93dfb88
  James Collier authored Jun 08, 2018
  a93dfb88
Jun 07, 2018
- Fix some autoconf checks so that the build runs on Android · 75de8b16
  James Collier authored Jun 07, 2018
  
  75de8b16
Feb 03, 2018
- Update .gitlab-ci.yml to install ProDy library dependencies for Python3. · e143ba05
  James Collier authored Feb 03, 2018
  
  e143ba05
Feb 02, 2018
- Sort test output to prevent test failures from simple output reordering · ad4d718d
  James Collier authored Feb 03, 2018
  ad4d718d
Feb 01, 2018
- Update README.md with a Liberapay donate button. · 889d0923
  James Collier authored Feb 01, 2018
  
  889d0923
Feb 04, 2017
- Correct bounds check signature and test · 15319b45
  James Collier authored Feb 04, 2017
  15319b45
- Update super description · da274281
  James Collier authored Feb 04, 2017
  da274281
- Documentation and code readability · 2e49981b
  James Collier authored Feb 04, 2017
  2e49981b
- Update bounds check test · 492cdcc6
  James Collier authored Feb 04, 2017
  492cdcc6
- Use centered vectors for lowerbound rather than computed norms · 780da3b4
  James Collier authored Feb 04, 2017
  780da3b4
- Add numeric header to query_parser · 4b9b7be5
  James Collier authored Feb 04, 2017
  4b9b7be5
- Add numeric to the build · 511445c1
  James Collier authored Feb 04, 2017
  511445c1
- Move comparison for lower bound into run_pipe · 3157efb9
  James Collier authored Feb 04, 2017
  3157efb9
- Correctly compute norms for transformed vectors · c6943f5e
  James Collier authored Feb 04, 2017
  c6943f5e
- Move numeric functions into a dedicated file · c5263c16
  James Collier authored Feb 04, 2017
  c5263c16
Feb 01, 2017
- Remove progress tracking (Fixes: #11 ) · fdd00c4d
  James Collier authored Feb 01, 2017
  fdd00c4d
- Use pointers instead of array indexing to improve performance · 2bdcc944
  James Collier authored Feb 01, 2017
  2bdcc944
- Improve performance by using pointers rather than array indexes · c3ebdda3
  James Collier authored Feb 01, 2017
  c3ebdda3
- Remove spurious commented-out code · 9a4bf68e
  James Collier authored Feb 01, 2017
  9a4bf68e
- Optimise centering by minimising component sum computations · 904fc988
  James Collier authored Feb 01, 2017
  904fc988
Jan 31, 2017
- Handle the situation when no matches are found · b8b674c9
  James Collier authored Jan 31, 2017
  b8b674c9
Jan 29, 2017
- Improve performance by eliminating a common division operation · 62d7a9a7
  James Collier authored Jan 29, 2017
  62d7a9a7
- Improve documentation for vector_set · aa87173f
  James Collier authored Jan 29, 2017
  aa87173f
- Fix installation of the python superdatabase module · ebebb846
  James Collier authored Jan 29, 2017
  ebebb846