- 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#
Resource Library
matlantis_features.features.md.post_features.diffusion.OldPostMDDiffusionFeatureResult