OpenFF Evaluator documentation

openff-evaluator

ForceFieldSource

class openff.evaluator.forcefield.ForceFieldSource

A helper object to define the source of a force field and any associated meta data, such as version, file paths, or generation options.

Notes

It is likely that this class and classes based off of it will not be permanent fixtures of the framework, but rather will exist until the force fields can be stored in a uniform format / object model.

__init__()

Methods

__init__()
from_json(file_path)	Create this object from a JSON file.
json([file_path, format])	Creates a JSON representation of this class.
parse_json(string_contents)	Parses a typed json string into the corresponding class structure.

classmethod from_json(file_path)

Create this object from a JSON file.

Parameters

file_path (str) – The path to load the JSON from.

Returns

The parsed class.

Return type

cls

json(file_path=None, format=False)

Creates a JSON representation of this class.

Parameters

• file_path (str, optional) – The (optional) file path to save the JSON file to.

• format (bool) – Whether to format the JSON or not.

Returns

The JSON representation of this class.

Return type

str

classmethod parse_json(string_contents)

Parses a typed json string into the corresponding class structure.

Parameters

string_contents (str or bytes) – The typed json string.

Returns

The parsed class.

Return type

Any