ichor.cli.main_menu_submenus.analysis_menu package
Submodules
ichor.cli.main_menu_submenus.analysis_menu.analysis_menu module
- class AnalysisFunctions
Bases:
object- static give_xyz_file_and_center_trajectory_on_atom()
Asks for user input for an xyz file It reads the xyz file and lets you choose an atom to center on (as well as x-axis and xy-plane atoms). After that it writes out a new file that is centered on the given ALF.
- class SubmitDatabaseMenuOptions(selected_submit_on_compute: bool)
Bases:
MenuOptions- selected_submit_on_compute: bool
- ask_user_input_for_atom_name(atom_names: list, atom_position: str, default_index: int)
- is_atom_name_in_atom_names(atom_name: str, atom_names: list) → bool
Checks if the atom name is in the list of atom names
- Parameters:
atom_name – atom name to check if in list
atom_names – list of atom names
- Returns:
True if in atom_names, False otherwise