Coverage report: 89%

Files Functions Classes

coverage.py v7.17.2, created at 2026-11-06 12:40 +0000

File class   statements missing excluded   coverage
biobb_chemistry/__init__.py (no class)   4 0 0   100%
biobb_chemistry/acpype/__init__.py (no class)   7 0 0   100%
biobb_chemistry/acpype/acpype_convert_amber_to_gmx.py AcpypeConvertAMBERtoGMX   41 5 0   88%
biobb_chemistry/acpype/acpype_convert_amber_to_gmx.py (no class)   17 1 0   94%
biobb_chemistry/acpype/acpype_params_ac.py AcpypeParamsAC   47 5 0   89%
biobb_chemistry/acpype/acpype_params_ac.py (no class)   17 1 0   94%
biobb_chemistry/acpype/acpype_params_cns.py AcpypeParamsCNS   47 5 0   89%
biobb_chemistry/acpype/acpype_params_cns.py (no class)   17 1 0   94%
biobb_chemistry/acpype/acpype_params_gmx.py AcpypeParamsGMX   46 5 0   89%
biobb_chemistry/acpype/acpype_params_gmx.py (no class)   17 1 0   94%
biobb_chemistry/acpype/acpype_params_gmx_opls.py AcpypeParamsGMXOPLS   45 5 0   89%
biobb_chemistry/acpype/acpype_params_gmx_opls.py (no class)   17 1 0   94%
biobb_chemistry/acpype/common.py (no class)   102 15 0   85%
biobb_chemistry/ambertools/__init__.py (no class)   4 0 0   100%
biobb_chemistry/ambertools/common.py (no class)   30 9 0   70%
biobb_chemistry/ambertools/reduce_add_hydrogens.py ReduceAddHydrogens   83 16 0   81%
biobb_chemistry/ambertools/reduce_add_hydrogens.py (no class)   16 1 0   94%
biobb_chemistry/ambertools/reduce_remove_hydrogens.py ReduceRemoveHydrogens   31 1 0   97%
biobb_chemistry/ambertools/reduce_remove_hydrogens.py (no class)   18 1 0   94%
biobb_chemistry/babelm/__init__.py (no class)   6 0 0   100%
biobb_chemistry/babelm/babel_add_hydrogens.py BabelAddHydrogens   61 3 0   95%
biobb_chemistry/babelm/babel_add_hydrogens.py (no class)   16 1 0   94%
biobb_chemistry/babelm/babel_convert.py BabelConvert   64 4 0   94%
biobb_chemistry/babelm/babel_convert.py (no class)   16 1 0   94%
biobb_chemistry/babelm/babel_minimize.py BabelMinimize   56 1 0   98%
biobb_chemistry/babelm/babel_minimize.py (no class)   17 1 0   94%
biobb_chemistry/babelm/babel_remove_hydrogens.py BabelRemoveHydrogens   61 3 0   95%
biobb_chemistry/babelm/babel_remove_hydrogens.py (no class)   16 1 0   94%
biobb_chemistry/babelm/common.py (no class)   150 51 0   66%
biobb_chemistry/test/__init__.py (no class)   0 0 0   100%
biobb_chemistry/test/unitests/test_acpype/test_acpype_amber2gmx.py TestAcpypeAmber2GMX   11 1 0   91%
biobb_chemistry/test/unitests/test_acpype/test_acpype_amber2gmx.py (no class)   7 0 0   100%
biobb_chemistry/test/unitests/test_acpype/test_acpype_params_ac.py TestAcpypeParamsAC   9 0 0   100%
biobb_chemistry/test/unitests/test_acpype/test_acpype_params_ac.py (no class)   6 0 0   100%
biobb_chemistry/test/unitests/test_acpype/test_acpype_params_cns.py TestAcpypeParamsCNS   6 0 0   100%
biobb_chemistry/test/unitests/test_acpype/test_acpype_params_cns.py (no class)   6 0 0   100%
biobb_chemistry/test/unitests/test_acpype/test_acpype_params_gmx.py TestAcpypeParamsGMX   9 0 0   100%
biobb_chemistry/test/unitests/test_acpype/test_acpype_params_gmx.py (no class)   6 0 0   100%
biobb_chemistry/test/unitests/test_acpype/test_acpype_params_gmx_opls.py TestAcpypeParamsGMXOPLS   6 0 0   100%
biobb_chemistry/test/unitests/test_acpype/test_acpype_params_gmx_opls.py (no class)   6 0 0   100%
biobb_chemistry/test/unitests/test_ambertools/test_reduce_add_hydrogens.py TestReduceAddHydrogens   5 0 0   100%
biobb_chemistry/test/unitests/test_ambertools/test_reduce_add_hydrogens.py (no class)   6 0 0   100%
biobb_chemistry/test/unitests/test_ambertools/test_reduce_remove_hydrogens.py TestReduceRemoveHydrogens   6 0 0   100%
biobb_chemistry/test/unitests/test_ambertools/test_reduce_remove_hydrogens.py (no class)   6 0 0   100%
biobb_chemistry/test/unitests/test_babel/test_babel_add_hydrogens.py TestBabelAddHydrogens   5 0 0   100%
biobb_chemistry/test/unitests/test_babel/test_babel_add_hydrogens.py (no class)   6 0 0   100%
biobb_chemistry/test/unitests/test_babel/test_babel_convert.py TestBabelConvert   5 0 0   100%
biobb_chemistry/test/unitests/test_babel/test_babel_convert.py (no class)   6 0 0   100%
biobb_chemistry/test/unitests/test_babel/test_babel_minimize.py TestBabelMinimize   6 0 0   100%
biobb_chemistry/test/unitests/test_babel/test_babel_minimize.py (no class)   6 0 0   100%
biobb_chemistry/test/unitests/test_babel/test_babel_pdbqt_records.py TestRemoveNonPdbqtRecords   12 0 0   100%
biobb_chemistry/test/unitests/test_babel/test_babel_pdbqt_records.py (no class)   6 0 0   100%
biobb_chemistry/test/unitests/test_babel/test_babel_remove_hydrogens.py TestBabelRemoveHydrogens   5 0 0   100%
biobb_chemistry/test/unitests/test_babel/test_babel_remove_hydrogens.py (no class)   6 0 0   100%
Total     1227 140 0   89%

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