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732bbf2f

Commit 732bbf2f authored 12 years ago by Valerio Mariani

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DRMSD Test first commit

Needs improvements. For example, distance differences should be always capped to cap_difference

parent e2cb0d86

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modules/mol/alg/doc/molalg.rst 96 additions, 6 deletions

modules/mol/alg/doc/molalg.rst
modules/mol/alg/pymod/wrap_mol_alg.cc 25 additions, 15 deletions

modules/mol/alg/pymod/wrap_mol_alg.cc
modules/mol/alg/src/CMakeLists.txt 2 additions, 0 deletions

modules/mol/alg/src/CMakeLists.txt
modules/mol/alg/src/distance_rmsd_test.cc 185 additions, 0 deletions

modules/mol/alg/src/distance_rmsd_test.cc
modules/mol/alg/src/distance_rmsd_test.hh 76 additions, 0 deletions

modules/mol/alg/src/distance_rmsd_test.hh
modules/mol/alg/src/distance_test_common.hh 10 additions, 0 deletions

modules/mol/alg/src/distance_test_common.hh

with 394 additions and 21 deletions

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