openforcefield.typing.engines.smirnoff.io.XMLParameterIOHandler

class openforcefield.typing.engines.smirnoff.io.XMLParameterIOHandler

Handles serialization/deserialization of SMIRNOFF ForceField objects from OFFXML format.

Methods

parse_file(source)	Parse a SMIRNOFF force field definition in XML format, read from a file.
parse_string(data)	Parse a SMIRNOFF force field definition in XML format.
to_file(file_path, smirnoff_data)	Write the current forcefield parameter set to a file.
to_string(smirnoff_data)	Write the current forcefield parameter set to an XML string.

__init__()

Create a new ParameterIOHandler.

Methods

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