MolSSI / QCFractal

Compare 05a3ad4 ... +1 ... 9275a7c

Coverage Reach
interface/collections/dataset.py interface/collections/dataset_view.py interface/collections/reaction_dataset.py interface/collections/collection.py interface/collections/torsiondrive_dataset.py interface/collections/optimization_dataset.py interface/collections/gridoptimization_dataset.py interface/collections/collection_utils.py interface/collections/generic.py interface/collections/__init__.py interface/models/rest_models.py interface/models/records.py interface/models/common_models.py interface/models/torsiondrive.py interface/models/gridoptimization.py interface/models/task_models.py interface/models/model_utils.py interface/models/model_builder.py interface/models/__init__.py interface/client.py interface/visualization.py interface/statistics.py interface/data/data_getters.py interface/data/__init__.py interface/util.py interface/__init__.py interface/hash_helpers.py storage_sockets/sqlalchemy_socket.py storage_sockets/models/results_models.py storage_sockets/models/sql_models.py storage_sockets/models/collections_models.py storage_sockets/models/sql_base.py storage_sockets/models/__init__.py storage_sockets/db_queries.py storage_sockets/view.py storage_sockets/api_logger.py storage_sockets/storage_socket.py storage_sockets/storage_utils.py storage_sockets/__init__.py queue/managers.py queue/handlers.py queue/base_adapter.py queue/parsl_adapter.py queue/executor_adapter.py queue/fireworks_adapter.py queue/adapters.py queue/__init__.py cli/qcfractal_server.py cli/qcfractal_manager.py cli/cli_utils.py services/gridoptimization_service.py services/service_util.py services/torsiondrive_service.py services/services.py services/__init__.py testing.py server.py web_handlers.py postgres_harness.py procedures/procedures.py procedures/procedures_util.py procedures/__init__.py snowflake.py config.py extras.py util.py __init__.py

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Showing 22 of 27 files from the diff.

@@ -10,8 +10,7 @@
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class BaseAdapter(abc.ABC):
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    """A BaseAdapter for wrapping compute engines
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    """
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    """A BaseAdapter for wrapping compute engines"""
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    def __init__(
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        self,

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class BaseResultORM(Base):
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    """
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        Abstract Base class for ResultORMs and ProcedureORMs
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    Abstract Base class for ResultORMs and ProcedureORMs
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    """
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    __tablename__ = "base_result"
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class ResultORM(BaseResultORM):
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    """
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        Hold the result of an atomic single calculation
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    Hold the result of an atomic single calculation
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    """
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    __tablename__ = "result"
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class ProcedureMixin:
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    """
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        A procedure mixin to be used by specific procedure types
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    A procedure mixin to be used by specific procedure types
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    """
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    program = Column(String(100), nullable=False)
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class OptimizationProcedureORM(ProcedureMixin, BaseResultORM):
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    """
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        An Optimization  procedure
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    An Optimization  procedure
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    """
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    __tablename__ = "optimization_procedure"
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class TorsionDriveProcedureORM(ProcedureMixin, BaseResultORM):
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    """
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        A torsion drive  procedure
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    A torsion drive  procedure
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    """
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    __tablename__ = "torsiondrive_procedure"

@@ -135,9 +135,7 @@
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    _required_auth = "read"
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    def get(self):
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        """
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        """
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        """"""
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        self.logger.info("GET: Information")
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def provenance_stamp(routine):
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    """Return dictionary satisfying QCSchema,
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   generating routine's name is passed in through `routine`.
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    generating routine's name is passed in through `routine`.
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   """
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    """
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    return {"creator": "QCFractal", "version": get_information("version"), "routine": routine}

@@ -23,8 +23,7 @@
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class ParslAdapter(BaseAdapter):
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    """An Adapter for Parsl.
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    """
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    """An Adapter for Parsl."""
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    def __init__(self, client: Any, logger: Optional[logging.Logger] = None, **kwargs):
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        BaseAdapter.__init__(self, client, logger, **kwargs)

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Files Coverage
qcfractal 88.13%
Project Totals (67 files) 88.13%
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