openforcefield.typing.engines.smirnoff.io.ParameterIOHandler

class openforcefield.typing.engines.smirnoff.io.ParameterIOHandler

Base class for handling serialization/deserialization of SMIRNOFF ForceField objects

Methods

parse_file(file_path)	Parameters
parse_string(data)	Parse a SMIRNOFF force field definition in a seriaized format
to_file(file_path, smirnoff_data)	Write the current forcefield parameter set to a file.
to_string(smirnoff_data)	Render the forcefield parameter set to a string

__init__()

Create a new ParameterIOHandler.

Methods

__init__()	Create a new ParameterIOHandler.
parse_file(file_path)	Parameters
parse_string(data)	Parse a SMIRNOFF force field definition in a seriaized format
to_file(file_path, smirnoff_data)	Write the current forcefield parameter set to a file.
to_string(smirnoff_data)	Render the forcefield parameter set to a string