openpathsampling.ensemble.EnsembleCombination
- class openpathsampling.ensemble.EnsembleCombination(ensemble1, ensemble2, fnc, str_fnc)[source]
Logical combination of two ensembles
Methods
__init__(ensemble1, ensemble2, fnc, str_fnc)A path volume defines a set of paths.
args()Return a list of args of the __init__ function of a class
base()Return the most parent class actually derived from StorableObject
can_append(trajectory[, trusted])Returns true, if the trajectory so far can still be in the ensemble if it is appended by a frame.
can_prepend(trajectory[, trusted])Returns true, if the trajectory so far can still be in the ensemble if it is prepended by a frame.
check(trajectory)Alias for __call__
check_reverse(trajectory[, trusted])See __call__; same thing, but potentially in reverse frame order
count_weaks()Return number of objects subclassed from StorableObject still in memory
descendants()Return a list of all subclassed objects
extend_sample_from_trajectories(...[, ...])Generate a sample in the ensemble by extending parts of trajectories
find_first_subtrajectory(trajectory)Return the first sub-trajectory that matches the ensemble
find_last_subtrajectory(trajectory)Return the last sub-trajectory that matches the ensemble
fix_name()Set the objects name to be immutable.
from_dict(dct)Reconstruct an object from a dictionary representaiton
get_sample_from_trajectories(trajectories[, ...])Generate a sample in the ensemble by testing trajectories
get_uuid()idx(store)Return the index which is used for the object in the given store.
iter_extendable_slices(trajectory[, ...])Return an iterator over maxiaml slices of extendable subtrajectories
iter_split(trajectory[, max_length, ...])Return iterator over subtrajectories satisfying the given ensemble.
iter_valid_slices(trajectory[, max_length, ...])Return an iterator over slices of subtrajectories matching the ensemble
named(name)Name an unnamed object.
objects()Returns a dictionary of all storable objects
reverse_uuid()ruuid(uid)set_observer(active)(De-)Activate observing creation of storable objects
split(trajectory[, max_length, min_length, ...])Return list of subtrajectories satisfying the given ensemble.
split_sample_from_trajectories(trajectories)Generate a sample in the ensemble by searching for sub-parts
strict_can_append(trajectory[, trusted])Returns true if the trajectory can be the beginning of a trajectory in the ensemble.
strict_can_prepend(trajectory[, trusted])Returns true if the trajectory can be the end of a trajectory in the ensemble.
to_dict()Convert object into a dictionary representation
trajectory_summary(trajectory)Return dict with info on how this ensemble "sees" the trajectory.
trajectory_summary_str(trajectory)Returns a string with the results of the trajectory_summary function.
Attributes
ACTIVE_LONGCREATION_COUNTINSTANCE_UUIDbase_clsReturn the base class
base_cls_nameReturn the name of the base class
clsReturn the class name as a string
default_nameReturn the default name.
extendable_sub_ensemblesis_namedTrue if this object has a custom name.
nameReturn the current name of the object.
observe_objects