class matlantis_features.features.md.post_features.nemd_thermal_conductivity.PostNEMDThermalConductivityFeatureResult(thermal_conductivity: Dict[str, List[float]], thermal_conductivity_std: Dict[str, List[float]], slab_T: List[float], slab_z: List[float])#

Bases: object

Result dataclass for the post-rNEMD thermal conductivity feature.

Methods

__init__(thermal_conductivity, …)

plot([plt_name])

Plot the result.

to_dataframe([csv_name])

Convert the result to the Pandas DataFrame object.
__init__(thermal_conductivity: Dict[str, List[float]], thermal_conductivity_std: Dict[str, List[float]], slab_T: List[float], slab_z: List[float]) → None#
plot(plt_name: Optional[str] = None) → Figure#

Plot the result.

Parameters

plt_name (str or None, optional) – File name to write the plot. Supported formats include ‘png’ ‘jpg’ ‘jpeg’ ‘webp’
‘svg’ and ‘pdf’. If ‘None’ is provided, the figure will not be saved.
Defaults to None.

Returns

Resulting plotly’s graph object.

Return type

go.Figure

to_dataframe(csv_name: Optional[str] = None) → DataFrame#

Convert the result to the Pandas DataFrame object.

Parameters

csv_name (str or None, optional) – CSV file name to write the DataFrame. If None, no CSV file is generated.
Defaults to None.

Returns

Resulting Pandas DataFrame object.

Return type

pd.DataFrame

Attributes

thermal_conductivity: Dict[str, List[float]]#
thermal_conductivity_std: Dict[str, List[float]]#
slab_T: List[float]#
slab_z: List[float]#