adsorpy

• adsorpy package
  • Submodules
    • adsorpy.gui module
      • RunSimulationInput
      • BatchSimulationInput
      • FilePickerWidget
      • set_content()
      • extract_param_docs()
      • from_geojson_str_to_polygon()
      • validate_polygon()
      • SimplePolygonDict
      • PydanticPolygon
      • ParamWidgets
      • SymmetryWidgets
      • is_valid_param()
      • MoleculeParameters
      • SurfaceParameters
      • MiscParameters
      • ZoomableSvgWidget
      • AutoStateMeta
      • AppState
      • AdsorpyGUI
      • GeneralSettings
      • MoleculeGeneration
      • SurfaceGeneration
      • BackgroundTaskSignals
      • BackgroundTask
      • ReorderableListWidget
      • _make_horizontal_line()
      • main()
    • adsorpy.molecule_lib module
      • AtomKey
      • _load_radii_from_json()
      • RADII
      • discorectangle()
      • circulium()
      • dogbonium()
      • polygonium()
      • xyz_reader()
      • _rotation_matrix()
      • MoleculeViewer
      • first_time_loader()
      • _xyz_verifier()
      • _initialise_reader()
      • save_molecule_svg()
    • adsorpy.randomsequentialadsorption module
      • _create_empty_coords()
      • Config
      • _config_loader()
      • BoundaryParameters
      • MoleculeGroup
      • CandidateMolecule
      • Simulator
      • Surface
      • _create_rtree_index()
      • MoleculeData
    • adsorpy.rsa_calculator module
      • calculate_square_distance()
      • check_outer_radius()
      • check_hard_border()
      • check_hard_molecule()
      • check_shape_overlap()
      • make_rtree_filter()
      • make_rectangular_filter()
      • create_periodic_images()
    • adsorpy.rsa_config module
      • RsaConfig
    • adsorpy.run_simulation module
      • run_simulation()
      • _run_sequential()
      • _run_codosing()
      • _run_cascade()
      • _run_flux()
      • _run_flux_fixedrotation()
      • _initialise_run_parameters()
      • _turn_into_list()
      • _repeater()
      • _error_checker()
      • _postprocessing()
      • _select_and_run()
      • show_surface()
      • main()
    • adsorpy.types module
      • BoolArray
      • Bools2D
      • BufferArray
      • CoordPair
      • CoordsArray
      • CoordsArray3D
      • DistArray
      • FloatArray
      • GeoArray
      • IdxArray
      • InDict
      • PrepGeoArray
      • RotMatrix
      • StrArray
• Project links