dara package#
Subpackages#
- dara.bgmn package
- dara.data package
- dara.prediction package
- dara.search package
- dara.server package
Submodules#
- dara.bgmn_worker module
- dara.cif module
- dara.cif2str module
- dara.cli module
- dara.eflech_worker module
- dara.generate_control_file module
- dara.jobs module
- dara.peak_detection module
- dara.plot module
- dara.refine module
- dara.result module
DiaResultLstResultParseErrorPhaseResultPhaseResult.aPhaseResult.alphaPhaseResult.atom_positions_stringPhaseResult.bPhaseResult.betaPhaseResult.cPhaseResult.gammaPhaseResult.gewichtPhaseResult.gewicht_namePhaseResult.hermann_mauguinPhaseResult.rphasePhaseResult.spacegroup_noPhaseResult.unitPhaseResult.xray_densityPhaseResult.check_gewichtPhaseResult.get_structure()
RefinementResultget_result()parse_dia()parse_lst()parse_par()
- dara.schema module
PhaseSearchDocumentPhaseSearchDocument.best_rwpPhaseSearchDocument.cifs_folder_namePhaseSearchDocument.extra_peaksPhaseSearchDocument.final_refinement_paramsPhaseSearchDocument.final_resultPhaseSearchDocument.fomsPhaseSearchDocument.grouped_phasesPhaseSearchDocument.input_cifsPhaseSearchDocument.last_updatedPhaseSearchDocument.lattice_strainsPhaseSearchDocument.missing_peaksPhaseSearchDocument.phase_predictorPhaseSearchDocument.precursorsPhaseSearchDocument.predict_kwargsPhaseSearchDocument.resultsPhaseSearchDocument.run_final_refinementPhaseSearchDocument.search_kwargsPhaseSearchDocument.task_labelPhaseSearchDocument.xrd_data
RefinementDocument
- dara.settings module
- dara.structure_db module
CODDatabaseICSDDatabaseStructureDatabaseStructureDatabase.default_folder_pathStructureDatabase.download_structures()StructureDatabase.get_cifs_by_chemsys()StructureDatabase.get_cifs_by_formulas()StructureDatabase.get_file_path()StructureDatabase.get_formula_data()StructureDatabase.local_copy_foundStructureDatabase.nameStructureDatabase.pathStructureDatabase.preparsed_info
- dara.utils module
angular_correction()bool2yn()compositions_to_array()copy_and_rename_files()datetime_str()find_optimal_intensity_threshold()find_optimal_score_threshold()fuzzy_compare()get_chemsys_from_formulas()get_composition_distance()get_composition_from_filename()get_compositional_clusters()get_entries_db()get_entries_in_chemsys_db()get_entries_in_chemsys_mp()get_head_of_compositional_cluster()get_logger()get_number()get_optimal_max_two_theta()get_wavelength()intensity_correction()load_symmetrized_structure()parse_refinement_param()process_phase_name()read_phase_name_from_str()rpb()rwp()standardize_coords()
- dara.xrd module
Module contents#
Automatically configures DARA settings.