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Added from_foyer classmethod to Topology class. #179

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Added from_foyer classmethod to Topology class. #179

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Commits on Apr 6, 2023

  1. Added new classmethod from_parmed() in Molecule class.

    ricardlambea committed Apr 6, 2023
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  2. Added test test_from_parmed() in test_molecule.py, regarding the newl… 

    …y created classmethod Molecule.from_parmed().
    ricardlambea committed Apr 6, 2023
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Commits on Apr 18, 2023

  1. Added the class FoyerParameterWrapper to the parameters.py script, an… 

    …d its corresponding tests to the test_parameters.py script.
    @ricardlambea
    ricardlambea committed Apr 18, 2023
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  2. Added the classes ForcefieldUnavailableError and FoyerToolkitWrapper … 

    …to the toolkits.py script, and its corresponding tests to the test_toolkits.py script.
    @ricardlambea
    ricardlambea committed Apr 18, 2023
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Commits on May 29, 2023

  1. Added the from_foyer() classmethod to topology.py script, and its cor… 

    …responding test function, test_from_foyer(), to the test_topology.py script.
    @ricardlambea
    ricardlambea committed May 29, 2023
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Commits on Aug 9, 2023

  1. Added assert_params parameter to from_foyer() method and its downstre… 

    …am related methods.
    @ricardlambea
    ricardlambea committed Aug 9, 2023
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Commits on Nov 2, 2023

  1. Redefined periodic improper dehidral section in FoyerParameterWrapper… 

    …() class. Added raise errors.
    @ricardlambea
    ricardlambea committed Nov 2, 2023
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