stateinterpreter.utils.visualize.visualize_features#

class stateinterpreter.utils.visualize.visualize_features(trajectory, states_labels, classes_names, relevant_features, feats_info, state=0, n_feat_per_state=3, representation='licorice')[source]#

Bases:

Visualize snapshots of each state highlighting the relevant features for a given state.

Parameters

  • trajectory (mdtraj.Trajectory) – MD trajectory

  • states_labels (pd.DataFrame) – labels

  • classes_names (list) – names of the classes

  • relevant_features (dict) – features selected by Lasso

  • feats_info (pd.DataFrame) – descriptors information (atoms involved)

  • state (int, optional) – state for which the features are displayed, by default 0

  • n_feat_per_state (int, optional) – number of features to be highlighted, by default 3

  • representation (str, optional) – type of representation (licorice,cartoon,ball-and-stick), by default ‘licorice’

Returns

View object

Return type

nglview viewer

__init__(**kwargs)#