bbprepared.Process¶ class bbprepared.Process(ensemble, selector)[source]¶ Bases: object Get the conformer that minimises some property. Methods calculate_all_scores calculate_score get_all_scores get_all_scores_by_id get_data get_minimum get_minimum_id Parameters: ensemble (Ensemble) selector (Selector) calculate_all_scores()[source]¶ Return type: None calculate_score(conformer, conformer_id)[source]¶ Parameters: conformer (Conformer) conformer_id (int) Return type: float get_all_scores()[source]¶ Return type: Iterable[float] get_all_scores_by_id()[source]¶ Return type: dict[int, float] get_data()[source]¶ Return type: dict[str, float] get_minimum()[source]¶ Return type: Conformer get_minimum_id()[source]¶ Return type: int