openforcefield.typing.engines.smirnoff.parameters.vdWHandler.
vdWType
(**kwargs)¶A SMIRNOFF vdWForce type.
Warning
This API is experimental and subject to change.
Methods
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Convert this ParameterType object to dict. |
__init__
(self, **kwargs)¶Create a ParameterType
The SMIRKS match for the provided parameter type.
Whether to permit non-spec kwargs (“cosmetic attributes”). If True, non-spec kwargs will be stored as an attribute of this parameter which can be accessed and written out. Otherwise an exception will be raised.
Methods
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Create a ParameterType |
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Convert this ParameterType object to dict. |
Attributes
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to_dict
(self, discard_cosmetic_attributes=True)¶Convert this ParameterType 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.
Whether to discard non-spec attributes of this ParameterType
The SMIRNOFF-compliant dict representation of this ParameterType object.
A mapping from each simtk.unit.Quanitity-valued ParameterType attribute to the unit it was converted to during serialization.