openforcefield.typing.engines.smirnoff.parameters.
ParameterType
(smirks=None, permit_cosmetic_attributes=False, **kwargs)[source]¶Base class for SMIRNOFF parameter types.
Warning
This API is experimental and subject to change.
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Methods
to_dict ([return_cosmetic_attributes]) |
Convert this ParameterType-derived object to dict. |
__init__
(smirks=None, permit_cosmetic_attributes=False, **kwargs)[source]¶Create a ParameterType
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Methods
__init__ ([smirks, permit_cosmetic_attributes]) |
Create a ParameterType |
to_dict ([return_cosmetic_attributes]) |
Convert this ParameterType-derived object to dict. |
Attributes
smirks |
to_dict
(return_cosmetic_attributes=False)[source]¶Convert this ParameterType-derived object to dict. A unit-bearing attribute (‘X’) will be converted to two dict entries, one ([‘X’] containing the unitless value, and another ([‘X_unit’]) containing a string representation of its unit.
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