def request(self, parameters: Parameters, compute: bool = True) -> Path:
self.logger.info("request wave function for parameters %s",
repr(parameters))
with cwd.WorkingDir(self.working_dir.parent):
common_parameter_names = parameters.get_common_parameter_names(
self.prototype, )
path = self.get_path(parameters)
if path:
self.logger.info("wave function is present")
return path
self.logger.info("wave function is not present")
p = copy.deepcopy(self.prototype)
for name in common_parameter_names:
p[name] = parameters[name]
if p not in self.missing_wave_functions:
self.store_missing_wave_function(p)
self.combinations = (self.stored_wave_functions +
self.missing_wave_functions)
if not compute:
raise MissingWfnError(p)
self._compute(p)
return self.request(parameters, compute)
def get_simulation_path(self, parameters: Parameters) -> Optional[Path]:
common_parameter_names = parameters.get_common_parameter_names(
self.prototype)
for p in self.stored_wave_functions:
if p.has_same_common_parameters(parameters,
common_parameter_names):
path = self.working_dir.resolve() / "sim" / hash_string(
repr(p))
return path
return None