CalculationSource¶

class propertyestimator.properties.CalculationSource(fidelity=None, provenance=None)[source]¶

Contains any metadata about how a physical property was calculated.

This includes at which fidelity the property was calculated at (e.g Direct simulation, reweighting, …) in addition to the parameters which were used as part of the calculations.

fidelity¶

The fidelity at which the property was calculated

Type: str

provenance¶

A dictionary containing information about how the property was calculated.

Type: dict of str and Any

__init__(fidelity=None, provenance=None)[source]¶

Constructs a new CalculationSource object.

Parameters

fidelity (str) – The fidelity at which the property was calculated
provenance (dict of str and Any) – A dictionary containing information about how the property was calculated.

Methods

`__init__`([fidelity, provenance])	Constructs a new CalculationSource object.
`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