- class openpathsampling.engines.SnapshotDescriptor(contents)¶
Container for information about snapshots generated by an engine.
Snapshot descriptors are used to define the dimensions of the features used in a snapshot, in order to set correct sizes in storage. For example, the arrays of atomic positions and velocities will each be of shape
(n_atoms, n_spatial). The snapshot descriptor stores the values of
n_spatial. It also knows the class of snapshot to be created by the engine. This is usually created upon initialization of the engine, using information from the engine’s initialization parameters.
In practice, it is probably easiest to create snapshot descriptors using their
contents (list of 2-tuples) – Key-value pairs for information to be stored. One must be the key ‘class’, mapped to a snapshot class.
Return a list of args of the __init__ function of a class
Return the most parent class actually derived from StorableObject
Convenience method to create a snapshot descriptor.
Return a shallow copy of a set.
Return number of objects subclassed from StorableObject still in memory
Return a list of all subclassed objects
Return the difference of two or more sets as a new set.
Reconstruct an object from a dictionary representaiton
Return the index which is used for the object in the given store.
Return the intersection of two sets as a new set.
Return True if two sets have a null intersection.
Report whether another set contains this set.
Report whether this set contains another set.
Returns a dictionary of all storable objects
(De-)Activate observing creation of storable objects
Return the symmetric difference of two sets as a new set.
Convert object into a dictionary representation
Return the union of sets as a new set.
Return the base class
Return the name of the base class
Return the class name as a string