def load_file(self, filename, parser_class, populate_defaults):
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 = parser_class(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))
if populate_defaults:
self._parser.validate_merge_defaults()
self._parser.commit_changes()
return self._parser.get_section_names()
except:
self._parser = None
raise
def load_model(self, filename, parser_class, populate_defaults):
""" load a model """
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 = parser_class(filename)
self._parser.parse()
# check if there was any data, if there is no data, just return empty file
if not self.get_section_names():
return []
# 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 ex: # pylint: disable=broad-except
logger.debug(str(ex))
except Exception:
self._parser = None
raise
try:
if populate_defaults:
self._parser.validate_merge_defaults()
return self.get_section_names()
finally:
self._parser.commit_changes()
def run_driver(self, params, backend=None):
"""
Runs the Qiskit Chemistry driver
Args:
params (Union(dictionary, filename)): Chemistry input data
backend (QuantumInstance or BaseBackend): the experimental settings
to be used in place of backend name
Raises:
QiskitChemistryError: Missing Input
"""
if params is None:
raise QiskitChemistryError("Missing input.")
self._operator = None
self._chemistry_result = None
self._qiskit_aqua = None
self._hdf5_file = None
self._parser = InputParser(params)
self._parser.parse()
# before merging defaults attempts to find a provider for the backend in case no
# provider was passed
if backend is None and \
self._parser.get_section_property(JSONSchema.BACKEND, JSONSchema.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))
# set provider and name in input file for proper backend schema dictionary build
if isinstance(backend, BaseBackend):
self._parser.backend = backend
self._parser.add_section_properties(
JSONSchema.BACKEND, {
JSONSchema.PROVIDER: get_provider_from_backend(backend),
JSONSchema.NAME: backend.name(),
})
self._parser.validate_merge_defaults()
experiment_name = "-- no &NAME section found --"
if JSONSchema.NAME in self._parser.get_section_names():
name_sect = self._parser.get_section(JSONSchema.NAME)
if name_sect is not None:
experiment_name = str(name_sect)
logger.info('Running chemistry problem from input file: %s',
self._parser.get_filename())
logger.info('Experiment description: %s', experiment_name.rstrip())
driver_name = self._parser.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))
self._hdf5_file = \
self._parser.get_section_property(InputParser.DRIVER, InputParser.HDF5_OUTPUT)
if driver_name not in local_drivers():
raise QiskitChemistryError(
'Driver "{0}" missing in local drivers'.format(driver_name))
work_path = None
input_file = self._parser.get_filename()
if input_file is not None:
work_path = os.path.dirname(os.path.realpath(input_file))
section = self._parser.get_section(driver_name)
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 \
self._hdf5_file is not None and not os.path.isabs(self._hdf5_file):
self._hdf5_file = os.path.abspath(
os.path.join(work_path, self._hdf5_file))
molecule.log()
if self._hdf5_file is not None:
molecule.save(self._hdf5_file)
logger.info("HDF5 file saved '%s'", self._hdf5_file)
# Run the Hamiltonian to process the QMolecule and get an input for algorithms
clazz = get_chemistry_operator_class(
self._parser.get_section_property(InputParser.OPERATOR,
JSONSchema.NAME))
self._operator = clazz.init_params(
self._parser.get_section_properties(InputParser.OPERATOR))
qubit_op, aux_ops = self.operator.run(molecule)
input_object = EnergyInput(qubit_op, aux_ops)
logger.debug('Core computed substitution variables %s',
self.operator.molecule_info)
result = self._parser.process_substitutions(
self.operator.molecule_info)
logger.debug('Substitutions %s', result)
aqua_params = {}
for section_name, section in self._parser.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 \
not isinstance(section, dict):
continue
aqua_params[section_name] = copy.deepcopy(section)
if JSONSchema.PROBLEM == section_name and \
InputParser.AUTO_SUBSTITUTIONS in aqua_params[section_name]:
del aqua_params[section_name][InputParser.AUTO_SUBSTITUTIONS]
self._qiskit_aqua = QiskitAqua(aqua_params, input_object, backend)
def build_algorithm_from_dict(params, algo_input=None, backend=None):
"""
Construct algorithm as named in params, using params and algo_input as input data
and returning a QuantumAlgorithm and QuantumInstance instance
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
backend (BaseBackend): Backend object to be used in place of backend name
Returns:
Ready-to-run QuantumAlgorithm and QuantumInstance as specified in input parameters. Note that
no QuantumInstance will be returned if none is specified - None will be returned instead.
"""
_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]
}
# TODO, how to build the noise model from a dictionary?
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 None or not isinstance(backend, BaseBackend):
backend = get_backend_from_provider(backend_provider, backend_name)
backend_cfg['backend'] = backend
# overwrite the basis_gates and coupling_map
basis_gates = backend_cfg.pop('basis_gates', None)
coupling_map = backend_cfg.pop('coupling_map', None)
if backend.configuration().simulator:
if basis_gates is not None:
backend.configuration().basis_gates = basis_gates
if coupling_map is not None:
backend.configuration().coupling_map = coupling_map
else:
logger.warning(
"Change basis_gates and coupling_map on a real device is disallowed."
)
shots = backend_cfg.pop('shots', 1024)
seed = random_seed
max_credits = backend_cfg.pop('max_credits', 10)
memory = backend_cfg.pop('memory', False)
run_config = RunConfig(shots=shots,
max_credits=max_credits,
memory=memory)
if seed is not None:
run_config.seed = seed
backend_cfg['run_config'] = run_config
backend_cfg['skip_qobj_validation'] = inputparser.get_section_property(
JSONSchema.PROBLEM, 'skip_qobj_validation')
use_caching = inputparser.get_section_property(JSONSchema.PROBLEM,
'circuit_caching')
if use_caching:
deepcopy_qobj = inputparser.get_section_property(
JSONSchema.PROBLEM, 'skip_qobj_deepcopy')
cache_file = inputparser.get_section_property(
JSONSchema.PROBLEM, 'circuit_cache_file')
backend_cfg['circuit_cache'] = CircuitCache(
skip_qobj_deepcopy=deepcopy_qobj, cache_file=cache_file)
quantum_instance = QuantumInstance(**backend_cfg)
# Note that quantum_instance can be None if none is specified
return algorithm, quantum_instance
def _build_algorithm_from_dict(self, quantum_instance):
_discover_on_demand()
self._parser = InputParser(self._params)
self._parser.parse()
# before merging defaults attempts to find a provider for the backend in case no
# provider was passed
if quantum_instance is None and self._parser.get_section_property(
JSONSchema.BACKEND, JSONSchema.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))
self._parser.validate_merge_defaults()
logger.debug('Algorithm Input: {}'.format(
json.dumps(self._parser.get_sections(), sort_keys=True, indent=4)))
algo_name = self._parser.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 self._algorithm_input is None:
input_name = self._parser.get_section_property(
'input', JSONSchema.NAME)
if input_name is not None:
input_params = copy.deepcopy(
self._parser.get_section_properties('input'))
del input_params[JSONSchema.NAME]
convert_json_to_dict(input_params)
self._algorithm_input = get_pluggable_class(
PluggableType.INPUT, input_name).from_params(input_params)
algo_params = copy.deepcopy(self._parser.get_sections())
self._quantum_algorithm = get_pluggable_class(
PluggableType.ALGORITHM,
algo_name).init_params(algo_params, self._algorithm_input)
random_seed = self._parser.get_section_property(
JSONSchema.PROBLEM, 'random_seed')
self._quantum_algorithm.random_seed = random_seed
if isinstance(quantum_instance, QuantumInstance):
self._quantum_instance = quantum_instance
return
backend = None
if isinstance(quantum_instance, BaseBackend):
backend = quantum_instance
elif quantum_instance is not None:
raise AquaError(
'Invalid QuantumInstance or BaseBackend parameter {}.'.format(
quantum_instance))
# setup backend
backend_provider = self._parser.get_section_property(
JSONSchema.BACKEND, JSONSchema.PROVIDER)
backend_name = self._parser.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 self._parser.get_section(
JSONSchema.BACKEND).items()
if k not in [JSONSchema.PROVIDER, JSONSchema.NAME]
}
# TODO, how to build the noise model from a dictionary?
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 None:
backend = get_backend_from_provider(backend_provider,
backend_name)
backend_cfg['backend'] = backend
# overwrite the basis_gates and coupling_map
basis_gates = backend_cfg.pop('basis_gates', None)
if isinstance(basis_gates, str):
basis_gates = basis_gates.split(',')
coupling_map = backend_cfg.pop('coupling_map', None)
if backend.configuration().simulator:
if basis_gates is not None:
backend.configuration().basis_gates = basis_gates
if coupling_map is not None:
backend.configuration().coupling_map = coupling_map
else:
logger.warning(
"Change basis_gates and coupling_map on a real device is disallowed."
)
shots = backend_cfg.pop('shots', 1024)
seed = random_seed
max_credits = backend_cfg.pop('max_credits', 10)
memory = backend_cfg.pop('memory', False)
run_config = RunConfig(shots=shots,
max_credits=max_credits,
memory=memory)
if seed is not None:
run_config.seed = seed
backend_cfg['run_config'] = run_config
backend_cfg[
'skip_qobj_validation'] = self._parser.get_section_property(
JSONSchema.PROBLEM, 'skip_qobj_validation')
use_caching = self._parser.get_section_property(
JSONSchema.PROBLEM, 'circuit_caching')
if use_caching:
deepcopy_qobj = self._parser.get_section_property(
JSONSchema.PROBLEM, 'skip_qobj_deepcopy')
cache_file = self._parser.get_section_property(
JSONSchema.PROBLEM, 'circuit_cache_file')
backend_cfg['circuit_cache'] = CircuitCache(
skip_qobj_deepcopy=deepcopy_qobj, cache_file=cache_file)
self._quantum_instance = QuantumInstance(**backend_cfg)
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..get_sections(), 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 name_sect is not None:
experiment_name = str(name_sect)
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)
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))
section = p.get_section(driver_name)
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 if isinstance(
section, str) else json.dumps(
section, sort_keys=True, indent=4)
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 \
not isinstance(section, dict):
continue
params[section_name] = copy.deepcopy(section)
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