- class openpathsampling.pathmover.ConditionalSequentialMover(movers)
Performs each move in its movers list until complete or until one is not accepted. If any move in not accepted, all previous samples are updated to have set their acceptance to False.
For example, this would be used to create a minus move, which consists of first a replica exchange and then a shooting (extension) move. If the replica exchange fails, the move is aborted before doing the dynamics.
ConditionalSequentialMover only works if there is a single active sample per replica.
movers (list of openpathsampling.PathMover) – the list of pathmovers to be run in sequence
- param movers
the list of pathmovers to be run in sequence
Return a list of args of the __init__ function of a class
Return the most parent class actually derived from StorableObject
Return number of objects subclassed from StorableObject still in memory
Traverse the tree in post-order applying a function with depth
depth_pre_order(fnc[, level, only_canonical])
Traverse the tree of node in pre-order applying a function
Return a list of all subclassed objects
Set the objects name to be immutable.
Reconstruct an object from a dictionary representaiton
Return the index which is used for the object in the given store.
Return a list of key : subtree tuples
legal_sample_set(sample_set[, ensembles, ...])
This returns all the samples from sample_set which are in both self.replicas and the parameter ensembles.
Traverse the tree in post-order applying a function
Traverse the tree in pre-order applying a function
Apply a function to each node and return a nested tree of results
Run the generation starting with the initial sample_set specified.
Name an unnamed object.
Returns a dictionary of all storable objects
select_sample(sample_set[, ensembles, replicas])
Returns one of the legal samples given self.replica and the ensemble set in ensembles.
(De-)Activate observing creation of storable objects
Return set of replica states that a submover might be called with
Convert object into a dictionary representation
Return the object as a tree structure of nested lists of nodes
Return the base class
Return the name of the base class
Return the class name as a string
Return the default name.
A unique identifier to build the unique key for a position in a tree
List the input -> output relation for ensembles
Return a list of possible used ensembles for this mover
True if this object has a custom name.
Return the current name of the object.
Return a list of possible returned ensembles for this mover
Returns a list of submovers