def _create_storages(self): """ Register all Stores used in the OpenPathSampling Storage """ # objects with special storages self.create_store('trajectories', paths.storage.TrajectoryStore()) self.create_store('snapshots', SnapshotWrapperStore()) # normal objects self.create_store('topologies', NamedObjectStore(peng.Topology)) self.create_store('engines', NamedObjectStore(peng.DynamicsEngine)) # special stores self.create_store('tag', ImmutableDictStore())
def _create_storages(self): """ Register all Stores used in the OpenPathSampling Storage """ # objects with special storages self.create_store('trajectories', paths.storage.TrajectoryStore()) # topologies might be needed fot CVs so put them here self.create_store('topologies', NamedObjectStore(peng.Topology)) self.create_store('cvs', paths.storage.CVStore()) self.create_store('snapshots', SnapshotWrapperStore()) self.create_store('samples', paths.storage.SampleStore()) self.create_store('samplesets', paths.storage.SampleSetStore()) self.create_store('movechanges', paths.storage.MoveChangeStore()) self.create_store('steps', paths.storage.MCStepStore()) # normal objects self.create_store('details', ObjectStore(paths.Details)) self.create_store('pathmovers', NamedObjectStore(paths.PathMover)) self.create_store('shootingpointselectors', NamedObjectStore(paths.ShootingPointSelector)) self.create_store('engines', NamedObjectStore(peng.DynamicsEngine)) self.create_store('pathsimulators', paths.storage.PathSimulatorStore()) self.create_store('transitions', NamedObjectStore(paths.Transition)) self.create_store('networks', NamedObjectStore(paths.TransitionNetwork)) self.create_store('schemes', NamedObjectStore(paths.MoveScheme)) self.create_store('interfacesets', NamedObjectStore(paths.InterfaceSet)) self.create_store('msouters', NamedObjectStore(paths.MSOuterTISInterface)) # stores where nestable could make sense but is disabled self.create_store('volumes', NamedObjectStore(paths.Volume, nestable=True)) self.create_store('ensembles', NamedObjectStore(paths.Ensemble, nestable=True)) # special stores self.create_store('tag', ImmutableDictStore())