def load_file(self, filename):
from qiskit_chemistry.parser import InputParser
from qiskit_aqua.parser import JSONSchema
from qiskit_aqua import get_provider_from_backend, get_backends_from_provider
if filename is None:
return []
try:
self._parser = InputParser(filename)
self._parser.parse()
# before merging defaults attempts to find a provider for the backend
provider = self._parser.get_section_property(
JSONSchema.BACKEND, JSONSchema.PROVIDER)
if provider is None:
backend_name = self._parser.get_section_property(
JSONSchema.BACKEND, JSONSchema.NAME)
if backend_name is not None:
self._parser.set_section_property(
JSONSchema.BACKEND, JSONSchema.PROVIDER,
get_provider_from_backend(backend_name))
else:
try:
if provider not in self.providers:
self._custom_providers[
provider] = get_backends_from_provider(provider)
except Exception as e:
logger.debug(str(e))
uipreferences = UIPreferences()
if uipreferences.get_populate_defaults(True):
self._parser.validate_merge_defaults()
self._parser.commit_changes()
return self._parser.get_section_names()
except:
self._parser = None
raise
def run_algorithm(params, algo_input=None, json_output=False, backend=None):
"""
Run algorithm as named in params, using params and algo_input as input data
and returning a result dictionary
Args:
params (dict): Dictionary of params for algo and dependent objects
algo_input (AlgorithmInput): Main input data for algorithm. Optional, an algo may run entirely from params
json_output (bool): False for regular python dictionary return, True for json conversion
backend (BaseBackend): Backend object to be used in place of backend name
Returns:
Result dictionary containing result of algorithm computation
"""
_discover_on_demand()
inputparser = InputParser(params)
inputparser.parse()
# before merging defaults attempts to find a provider for the backend in case no
# provider was passed
if backend is None and inputparser.get_section_property(JSONSchema.BACKEND, JSONSchema.PROVIDER) is None:
backend_name = inputparser.get_section_property(JSONSchema.BACKEND, JSONSchema.NAME)
if backend_name is not None:
inputparser.set_section_property(JSONSchema.BACKEND, JSONSchema.PROVIDER, get_provider_from_backend(backend_name))
inputparser.validate_merge_defaults()
logger.debug('Algorithm Input: {}'.format(json.dumps(inputparser.get_sections(), sort_keys=True, indent=4)))
algo_name = inputparser.get_section_property(PluggableType.ALGORITHM.value, JSONSchema.NAME)
if algo_name is None:
raise AquaError('Missing algorithm name')
if algo_name not in local_pluggables(PluggableType.ALGORITHM):
raise AquaError('Algorithm "{0}" missing in local algorithms'.format(algo_name))
if algo_input is None:
input_name = inputparser.get_section_property('input', JSONSchema.NAME)
if input_name is not None:
input_params = copy.deepcopy(inputparser.get_section_properties('input'))
del input_params[JSONSchema.NAME]
convert_json_to_dict(input_params)
algo_input = get_pluggable_class(PluggableType.INPUT, input_name).from_params(input_params)
algo_params = copy.deepcopy(inputparser.get_sections())
algorithm = get_pluggable_class(PluggableType.ALGORITHM,
algo_name).init_params(algo_params, algo_input)
random_seed = inputparser.get_section_property(JSONSchema.PROBLEM, 'random_seed')
algorithm.random_seed = random_seed
quantum_instance = None
# setup backend
backend_provider = inputparser.get_section_property(JSONSchema.BACKEND, JSONSchema.PROVIDER)
backend_name = inputparser.get_section_property(JSONSchema.BACKEND, JSONSchema.NAME)
if backend_provider is not None and backend_name is not None: # quantum algorithm
backend_cfg = {k: v for k, v in inputparser.get_section(JSONSchema.BACKEND).items() if k not in [JSONSchema.PROVIDER, JSONSchema.NAME]}
noise_params = backend_cfg.pop('noise_params', None)
backend_cfg['config'] = {}
backend_cfg['config']['noise_params'] = noise_params
backend_cfg['seed'] = random_seed
backend_cfg['seed_mapper'] = random_seed
pass_manager = PassManager() if backend_cfg.pop('skip_transpiler', False) else None
if pass_manager is not None:
backend_cfg['pass_manager'] = pass_manager
if backend is not None and isinstance(backend, BaseBackend):
backend_cfg['backend'] = backend
else:
backend_cfg['backend'] = get_backend_from_provider(backend_provider, backend_name)
quantum_instance = QuantumInstance(**backend_cfg)
value = algorithm.run(quantum_instance)
if isinstance(value, dict) and json_output:
convert_dict_to_json(value)
return value
def _run_driver_from_parser(self, p, save_json_algo_file):
if p is None:
raise QiskitChemistryError("Missing parser")
# before merging defaults attempts to find a provider for the backend in case no
# provider was passed
if p.get_section_property(JSONSchema.BACKEND,
JSONSchema.PROVIDER) is None:
backend_name = p.get_section_property(JSONSchema.BACKEND,
JSONSchema.NAME)
if backend_name is not None:
p.set_section_property(JSONSchema.BACKEND, JSONSchema.PROVIDER,
get_provider_from_backend(backend_name))
p.validate_merge_defaults()
# logger.debug('ALgorithm Input Schema: {}'.format(json.dumps(p.to_JSON(), sort_keys=True, indent=4)))
experiment_name = "-- no &NAME section found --"
if JSONSchema.NAME in p.get_section_names():
name_sect = p.get_section(JSONSchema.NAME)
if 'data' in name_sect:
experiment_name = name_sect['data']
logger.info('Running chemistry problem from input file: {}'.format(
p.get_filename()))
logger.info('Experiment description: {}'.format(
experiment_name.rstrip()))
driver_name = p.get_section_property(InputParser.DRIVER,
JSONSchema.NAME)
if driver_name is None:
raise QiskitChemistryError(
'Property "{0}" missing in section "{1}"'.format(
JSONSchema.NAME, InputParser.DRIVER))
hdf5_file = p.get_section_property(InputParser.DRIVER,
QiskitChemistry.KEY_HDF5_OUTPUT)
section = p.get_section(driver_name)
if 'data' not in section:
raise QiskitChemistryError(
'Property "data" missing in section "{0}"'.format(driver_name))
if driver_name not in local_drivers():
raise QiskitChemistryError(
'Driver "{0}" missing in local drivers'.format(driver_name))
work_path = None
input_file = p.get_filename()
if input_file is not None:
work_path = os.path.dirname(os.path.realpath(input_file))
driver = get_driver_class(driver_name).init_from_input(section)
driver.work_path = work_path
molecule = driver.run()
if work_path is not None and hdf5_file is not None and not os.path.isabs(
hdf5_file):
hdf5_file = os.path.abspath(os.path.join(work_path, hdf5_file))
molecule.log()
if hdf5_file is not None:
molecule._origin_driver_name = driver_name
molecule._origin_driver_config = section['data']
molecule.save(hdf5_file)
text = "HDF5 file saved '{}'".format(hdf5_file)
logger.info(text)
if not save_json_algo_file:
logger.info('Run ended with hdf5 file saved.')
return QiskitChemistry._DRIVER_RUN_TO_HDF5, text
# Run the Hamiltonian to process the QMolecule and get an input for algorithms
cls = get_chemistry_operator_class(
p.get_section_property(InputParser.OPERATOR, JSONSchema.NAME))
self._core = cls.init_params(
p.get_section_properties(InputParser.OPERATOR))
input_object = self._core.run(molecule)
logger.debug('Core computed substitution variables {}'.format(
self._core.molecule_info))
result = p.process_substitutions(self._core.molecule_info)
logger.debug('Substitutions {}'.format(result))
params = {}
for section_name, section in p.get_sections().items():
if section_name == JSONSchema.NAME or \
section_name == InputParser.DRIVER or \
section_name == driver_name.lower() or \
section_name == InputParser.OPERATOR or \
'properties' not in section:
continue
params[section_name] = copy.deepcopy(section['properties'])
if JSONSchema.PROBLEM == section_name and \
InputParser.AUTO_SUBSTITUTIONS in params[section_name]:
del params[section_name][InputParser.AUTO_SUBSTITUTIONS]
return QiskitChemistry._DRIVER_RUN_TO_ALGO_INPUT, params, input_object