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- poetry.lock 104 additions, 15 deletionspoetry.lock
- pycgtool/__main__.py 60 additions, 51 deletionspycgtool/__main__.py
- pycgtool/bondset.py 168 additions, 122 deletionspycgtool/bondset.py
- pycgtool/forcefield.py 64 additions, 41 deletionspycgtool/forcefield.py
- pycgtool/frame.py 52 additions, 43 deletionspycgtool/frame.py
- pycgtool/functionalforms.py 23 additions, 12 deletionspycgtool/functionalforms.py
- pycgtool/mapping.py 88 additions, 72 deletionspycgtool/mapping.py
- pycgtool/parsers/__init__.py 1 addition, 4 deletionspycgtool/parsers/__init__.py
- pycgtool/parsers/cfg.py 6 additions, 3 deletionspycgtool/parsers/cfg.py
- pycgtool/parsers/itp.py 6 additions, 2 deletionspycgtool/parsers/itp.py
- pycgtool/util.py 36 additions, 21 deletionspycgtool/util.py
- pyproject.toml 2 additions, 5 deletionspyproject.toml
- tests/test_bondset.py 105 additions, 92 deletionstests/test_bondset.py
- tests/test_forcefield.py 17 additions, 13 deletionstests/test_forcefield.py
- tests/test_frame.py 76 additions, 58 deletionstests/test_frame.py
- tests/test_functionalforms.py 7 additions, 19 deletionstests/test_functionalforms.py
- tests/test_mapping.py 108 additions, 72 deletionstests/test_mapping.py
- tests/test_parsers_cfg.py 10 additions, 10 deletionstests/test_parsers_cfg.py
- tests/test_parsers_topology.py 10 additions, 10 deletionstests/test_parsers_topology.py
- tests/test_pycgtool.py 87 additions, 61 deletionstests/test_pycgtool.py
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