ForceFieldSource

class propertyestimator.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__()

Initialize self. See help(type(self)) for accurate signature.

Methods

__init__	Initialize self.
json()	Creates a JSON representation of this class.
parse_json(string_contents[, encoding])	Parses a typed json string into the corresponding class structure.

json()

Creates a JSON representation of this class.

Returns

The JSON representation of this class.

Return type

str

classmethod parse_json(string_contents, encoding='utf8')

Parses a typed json string into the corresponding class structure.

Parameters

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

• encoding (str) – The encoding of the string_contents.

Returns

The parsed class.

Return type

Any