How to use the openpathsampling.netcdfplus.WeakLRUCache function in openpathsampling

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github openpathsampling / openpathsampling / openpathsampling / engines / features / kinetics.py View on Github external
def netcdfplus_init(store):
    kinetic_store = KineticContainerStore()
    kinetic_store.set_caching(WeakLRUCache(10000))

    name = store.prefix + 'kinetics'

    # tell the KineticContainerStore to base its dimensions on names
    # prefixed with the store name to make sure each snapshot store has
    # its own kinetics store
    kinetic_store.set_dimension_prefix_store(store)

    store.storage.create_store(name, kinetic_store, False)
    store.create_variable(
        'kinetics', 'lazyobj.' + name,
        description="the snapshot index (0..n_momentum-1) 'frame' of "
                    "snapshot '{idx}'.")

    store.create_variable(
        'is_reversed', 'bool',
github openpathsampling / openpathsampling / openpathsampling / engines / features / statics.py View on Github external
def netcdfplus_init(store):
    static_store = StaticContainerStore()
    static_store.set_caching(WeakLRUCache(10000))

    name = store.prefix + 'statics'

    static_store.set_dimension_prefix_store(store)

    store.storage.create_store(name, static_store, False)

    store.create_variable(
        'statics',
        'lazyobj.' + name,
        description="the snapshot index (0..n_configuration-1) of "
                    "snapshot '{idx}'.")
github openpathsampling / openpathsampling / openpathsampling / storage / storage.py View on Github external
def analysis_cache_sizes():
        """
        Cache Sizes for analysis sessions

        Analysis caching is very large to allow fast processing

        """
        return {
            'trajectories': WeakLRUCache(500000),
            'snapshots': WeakLRUCache(100000),
            'statics': WeakLRUCache(10000),
            'kinetics': WeakLRUCache(1000),
            'samples': WeakLRUCache(1000000),
            'samplesets': WeakLRUCache(200000),
            'cvs': True,
            'pathmovers': True,
            'shootingpointselectors': True,
            'engines': True,
            'pathsimulators': True,
            'volumes': True,
            'ensembles': True,
            'movechanges': WeakLRUCache(500000),
            'transitions': True,
            'networks': True,
            'interfacesets': True,
            'schemes': True,
            'msouters': True,
github openpathsampling / openpathsampling / openpathsampling / storage / storage.py View on Github external
'samplesets': False,
            'cvs': False,
            'pathmovers': False,
            'shootingpointselectors': False,
            'engines': False,
            'pathsimulators': False,
            'volumes': False,
            'ensembles': False,
            'movechanges': False,
            'transitions': False,
            'networks': False,
            'interfacesets': False,
            'schemes': True,
            'msouters': False,
            'details': False,
            'steps': WeakLRUCache(10),
            'topologies': True
        }
github openpathsampling / openpathsampling / openpathsampling / storage / storage.py View on Github external
def analysis_cache_sizes():
        """
        Cache Sizes for analysis sessions

        Analysis caching is very large to allow fast processing

        """
        return {
            'attributes': True,
            'trajectories': WeakLRUCache(500000),
            'snapshots': WeakLRUCache(100000),
            'statics': WeakLRUCache(10000),
            'kinetics': WeakLRUCache(1000),
            'samples': WeakLRUCache(1000000),
            'samplesets': WeakLRUCache(200000),
            'cvs': True,
            'pathmovers': True,
            'shootingpointselectors': True,
            'engines': True,
            'pathsimulators': True,
            'volumes': True,
            'ensembles': True,
            'movechanges': WeakLRUCache(500000),
            'transitions': True,
            'networks': True,
            'interfacesets': True,
            'schemes': True,
            'msouters': True,
github openpathsampling / openpathsampling / openpathsampling / storage / storage.py View on Github external
'samplesets': WeakLRUCache(10000),
            'cvs': True,
            'pathmovers': True,
            'shootingpointselectors': True,
            'engines': True,
            'pathsimulators': True,
            'volumes': True,
            'ensembles': True,
            'movechanges': WeakLRUCache(10000),
            'transitions': True,
            'networks': True,
            'interfacesets': True,
            'schemes': True,
            'msouters': True,
            'details': WeakLRUCache(1000),
            'steps': WeakLRUCache(1000),
            'topologies': True
        }
github openpathsampling / openpathsampling / openpathsampling / storage / storage.py View on Github external
def default_cache_sizes():
        """
        Cache sizes for standard sessions for medium production and analysis.

        """

        return {
            'attributes': True,
            'trajectories': WeakLRUCache(10000),
            'snapshots': WeakLRUCache(10000),
            'statics': WeakLRUCache(10000),
            'kinetics': WeakLRUCache(10000),
            'samples': WeakLRUCache(25000),
            'samplesets': WeakLRUCache(10000),
            'cvs': True,
            'pathmovers': True,
            'shootingpointselectors': True,
            'engines': True,
            'pathsimulators': True,
            'volumes': True,
            'ensembles': True,
            'movechanges': WeakLRUCache(10000),
            'transitions': True,
            'networks': True,
            'interfacesets': True,
            'schemes': True,
            'msouters': True,
            'details': WeakLRUCache(1000),
            'steps': WeakLRUCache(1000),
github openpathsampling / openpathsampling / openpathsampling / storage / storage.py View on Github external
def default_cache_sizes():
        """
        Cache sizes for standard sessions for medium production and analysis.

        """

        return {
            'trajectories': WeakLRUCache(10000),
            'snapshots': WeakLRUCache(10000),
            'statics': WeakLRUCache(10000),
            'kinetics': WeakLRUCache(10000),
            'samples': WeakLRUCache(25000),
            'samplesets': WeakLRUCache(10000),
            'cvs': True,
            'pathmovers': True,
            'shootingpointselectors': True,
            'engines': True,
            'pathsimulators': True,
            'volumes': True,
            'ensembles': True,
            'movechanges': WeakLRUCache(10000),
            'transitions': True,
            'networks': True,
            'interfacesets': True,
            'schemes': True,
            'msouters': True,
            'details': WeakLRUCache(1000),
            'steps': WeakLRUCache(1000),
github openpathsampling / openpathsampling / openpathsampling / storage / storage.py View on Github external
def production_cache_sizes():
        """
        Cache Sizes for production runs

        Production. No loading assumed, only last 1000 steps and a few other
        objects for error testing

        """
        return {
            'trajectories': WeakLRUCache(1000),
            'snapshots': WeakLRUCache(10000),
            'statics': WeakLRUCache(1000),
            'kinetics': WeakLRUCache(1000),
            'samples': WeakLRUCache(10000),
            'samplesets': False,
            'cvs': False,
            'pathmovers': False,
            'shootingpointselectors': False,
            'engines': False,
            'pathsimulators': False,
            'volumes': False,
            'ensembles': False,
            'movechanges': False,
            'transitions': False,
            'networks': False,
            'interfacesets': False,
            'schemes': True,
            'msouters': False,
            'details': False,
github openpathsampling / openpathsampling / openpathsampling / storage / storage.py View on Github external
def analysis_cache_sizes():
        """
        Cache Sizes for analysis sessions

        Analysis caching is very large to allow fast processing

        """
        return {
            'trajectories': WeakLRUCache(500000),
            'snapshots': WeakLRUCache(100000),
            'statics': WeakLRUCache(10000),
            'kinetics': WeakLRUCache(1000),
            'samples': WeakLRUCache(1000000),
            'samplesets': WeakLRUCache(200000),
            'cvs': True,
            'pathmovers': True,
            'shootingpointselectors': True,
            'engines': True,
            'pathsimulators': True,
            'volumes': True,
            'ensembles': True,
            'movechanges': WeakLRUCache(500000),
            'transitions': True,
            'networks': True,
            'interfacesets': True,
            'schemes': True,
            'msouters': True,
            'details': WeakLRUCache(1000),
            'steps': True,