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1b0f02fb

Commit 1b0f02fb authored 7 years ago by Rafal Gumienny

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feat: SCHWED-3127 Add check structure functionality

parent 9f53a6cf

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modules/io/src/mol/CMakeLists.txt 2 additions, 0 deletions

modules/io/src/mol/CMakeLists.txt
modules/io/src/mol/stereochemical_params_reader.cc 64 additions, 0 deletions

modules/io/src/mol/stereochemical_params_reader.cc
modules/io/src/mol/stereochemical_params_reader.hh 40 additions, 0 deletions

modules/io/src/mol/stereochemical_params_reader.hh
modules/mol/alg/src/filter_clashes.cc 18 additions, 4 deletions

modules/mol/alg/src/filter_clashes.cc
modules/mol/alg/src/filter_clashes.hh 2 additions, 2 deletions

modules/mol/alg/src/filter_clashes.hh
modules/mol/alg/src/lddt.cc 14 additions, 60 deletions

modules/mol/alg/src/lddt.cc
modules/mol/alg/src/local_dist_diff_test.cc 44 additions, 0 deletions

modules/mol/alg/src/local_dist_diff_test.cc
modules/mol/alg/src/local_dist_diff_test.hh 8 additions, 0 deletions

modules/mol/alg/src/local_dist_diff_test.hh

with 192 additions and 66 deletions

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