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())
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())