class matlantis_features.features.md.post_features.diffusion.OldPostMDDiffusionFeatureResult(diffusion_coefficient: Dict[str, Dict[str, float]], diffusion_coefficient_std: Dict[str, Dict[str, float]], mean_squared_displacement: Dict[str, ndarray], timestep: float, init_time: float, stride: int, number_of_segments: int)#

Bases: object

A dataclass for result of PostMDDiffusionFeature.

Methods

__init__(diffusion_coefficient, …)

plot([plt_name])

Plot the result.
__init__(diffusion_coefficient: Dict[str, Dict[str, float]], diffusion_coefficient_std: Dict[str, Dict[str, float]], mean_squared_displacement: Dict[str, ndarray], timestep: float, init_time: float, stride: int, number_of_segments: int) → 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

Attributes

dict#

Convert the result to the dict object.

Returns

Resulting dict object.

Return type

dict[str, Any]

diffusion_coefficient: Dict[str, Dict[str, float]]#
diffusion_coefficient_std: Dict[str, Dict[str, float]]#
mean_squared_displacement: Dict[str, ndarray]#
timestep: float#
init_time: float#
stride: int#
number_of_segments: int#