def _clean_psi_environ(do_clean: bool):
"""Reset work environment to new Psi4 instance state.
This includes global variables (P::e.globals, P::e.arrays, P::e.options) and any
non-explicitly-retained PSIO-managed scratch files.
"""
if do_clean:
core.clean_variables()
core.clean_options()
core.clean()
def reset_pe_options(pofm):
"""Acts on Process::environment.options to clear it, the set it to state encoded in `pofm`.
Parameters
----------
pofm : dict
Result of psi4.driver.p4util.prepare_options_for_modules(changedOnly=True, commandsInsteadDict=False)
Returns
-------
None
"""
core.clean_options()
for go, dgo in pofm['GLOBALS'].items():
if dgo['has_changed']:
core.set_global_option(go, dgo['value'])
for module in _modules:
for lo, dlo in pofm[module].items():
if dlo['has_changed']:
core.set_local_option(module, lo, dlo['value'])
def _reset_pe_options(pofm: Dict):
"""Acts on ``Process::environment.options`` to clear it, then set it to state encoded in **pofm**.
Parameters
----------
pofm
Result of :py:func:`psi4.driver.p4util.prepare_options_for_modules(changedOnly=True, commandsInsteadDict=False, stateInsteadMediated=True)`
Returns
-------
None
"""
core.clean_options()
for go, dgo in pofm['GLOBALS'].items():
if dgo['has_changed']:
core.set_global_option(go, dgo['value'])
for module in _modules:
for lo, dlo in pofm[module].items():
if dlo['has_changed']:
core.set_local_option(module, lo, dlo['value'])
def reset_pe_options(pofm):
"""Acts on Process::environment.options to clear it, the set it to state encoded in `pofm`.
Parameters
----------
pofm : dict
Result of psi4.driver.p4util.prepare_options_for_modules(changedOnly=True, commandsInsteadDict=False)
Returns
-------
None
"""
core.clean_options()
for go, dgo in pofm['GLOBALS'].items():
if dgo['has_changed']:
core.set_global_option(go, dgo['value'])
for module in _modules:
for lo, dlo in pofm[module].items():
if dlo['has_changed']:
core.set_local_option(module, lo, dlo['value'])
def _clean_psi_environ(do_clean):
if do_clean:
core.clean_variables()
core.clean_options()
core.clean()
