openforcefield.typing.engines.smirnoff.parameters.vdWHandler.vdWType¶

class openforcefield.typing.engines.smirnoff.parameters.vdWHandler.vdWType(**kwargs)¶

A SMIRNOFF vdWForce type.

Warning

This API is experimental and subject to change.

Attributes:	smirks

Methods

to_dict([return_cosmetic_attributes])

Convert this ParameterType-derived object to dict.

__init__(**kwargs)¶

Create a ParameterType

Parameters:	smirks : str The SMIRKS match for the provided parameter type. permit_cosmetic_attributes : bool optional. Default = False Whether to store non-spec kwargs as “cosmetic attributes”, which can be accessed and written out.

Methods

__init__(**kwargs)	Create a ParameterType
to_dict([return_cosmetic_attributes])	Convert this ParameterType-derived object to dict.

Attributes

smirks

to_dict(return_cosmetic_attributes=False)¶

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.

Parameters:	return_cosmetic_attributes : bool, optional. default = False Whether to return non-spec attributes of this ParameterType
Returns:	smirnoff_dict : dict The SMIRNOFF-compliant dict representation of this ParameterType-derived object. output_units : dict[str: simtk.unit.Unit] A mapping from each simtk.unit.Quanitity-valued ParameterType attribute to the unit it was converted to during serialization.