# WorkflowSimulationDataToStore

class `propertyestimator.workflow.schemas.``WorkflowSimulationDataToStore`

  An object which describes which data should be cached after a workflow has finished executing, and from which completed protocols should the data be collected from.

  A WorkflowSimulationDataToStore maps to the creation of a StoredSimulationData stored data class.

  `coordinate_file_path`

    A reference to the file path of a coordinate file which encodes the topology of the system.

    Type

      ProtocolPath

  `trajectory_file_path`

    A reference to the file path of a .dcd trajectory file containing configurations generated by the simulation.

    Type

      ProtocolPath

  `statistics_file_path`

    A reference to the file path of of a StatisticsArray csv file, containing statistics generated by the simulation.

    Type

      ProtocolPath

  `statistical_inefficiency`

    A reference to the statistical inefficiency of the collected data.

    Type

      ProtocolPath

  `total_number_of_molecules`

    A reference to the total number of molecules in the system.

    Type

      ProtocolPath

  `__init__`()

    Constructs a new WorkflowSimulationDataToStore object.

  Methods

  `__init__`() | Constructs a new WorkflowSimulationDataToStore object.