prepare_options_for_modules

psi4.driver.p4util.prepare_options_for_modules(changedOnly=False, commandsInsteadDict=False, globalsOnly=False, stateInsteadMediated=False)[source]

Capture current state of psi4.core.Options information.

Parameters:

  • changedOnly (bool) – Record info only for options that have been set (may still be default). When False, records values for every option.

  • commandsInsteadDict (bool) – Return string of commands to exec to reset options in current form. When False, return nested dictionary with globals in ‘GLOBALS’ subdictionary and locals in subdictionaries by module.

  • globalsOnly (bool) – Record only global options to save time querying the Options object. When False, record module-level options, too.

  • stateInsteadMediated (bool) – When True, querying this function for options to be later reset into the same state – the raw values and has_changed status at the global and local levels. When False, querying this function for mediated options to be used – the results of the globals/locals handshake as computed by the Options object itself. Here, dict[module][option][value] is the value to be used by module.

Return type:

Union[Dict, str]

Returns:

  • Dict – When commandsInsteadDict is False.

  • str – When commandsInsteadDict is True.

Caution

Some features are not yet implemented. Buy a developer a coffee.

  • command return doesn’t revoke has_changed setting for unchanged with changedOnly=False

  • not all kwargs are independent