ForceFieldSource¶
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class
propertyestimator.forcefield.
ForceFieldSource
[source]¶ 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.
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__init__
()¶ Initialize self. See help(type(self)) for accurate signature.
Methods
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.
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json
()¶ Creates a JSON representation of this class.
- Returns
The JSON representation of this class.
- Return type
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