openpathsampling.collectivevariable.CollectiveVariable¶

class openpathsampling.collectivevariable.CollectiveVariable(name, cv_time_reversible=False)[source]¶

Wrapper for a function that acts on snapshots or iterables of snapshots

Parameters

name (string) – A descriptive name of the collectivevariable. It is used in the string representation.
cv_time_reversible (bool) – If True (default) the CV assumes that reversed snapshots have the same value. This is the default case when CVs do not depend on momenta reversal. This will speed up computation of CVs by about a factor of two. In rare cases you might want to set this to False

_cache_dict¶

The ChainDict that will cache calculated values for fast access

__init__(name, cv_time_reversible=False)[source]¶

Parameters: post (openpathsampling.chaindict.ChainDict) – the underlying chain dict to be used

Methods

`__init__`(name[, cv_time_reversible])	param post the underlying chain dict to be used
`args`()	Return a list of args of the __init__ function of a class
`base`()	Return the most parent class actually derived from StorableObject
`cache_all`()	Sync this CV with attached storages
`count_weaks`()	Return number of objects subclassed from StorableObject still in memory
`descendants`()	Return a list of all subclassed objects
`disable_diskcache`()
`enable_diskcache`()
`fix_name`()	Set the objects name to be immutable.
`from_dict`(dct)	Reconstruct an object from a dictionary representaiton
`get_uuid`()
`idx`(store)	Return the index which is used for the object in the given store.
`named`(name)	Name an unnamed object.
`objects`()	Returns a dictionary of all storable objects
`reverse_uuid`()
`ruuid`(uid)
`set_cache_store`(value_store)	Attach store variables to the collective variables.
`set_observer`(active)	(De-)Activate observing creation of storable objects
`str_chain`()	Return a string representation of the chain of dicts called.
`sync`()	Sync this CV with the attached storages
`to_dict`()	Convert object into a dictionary representation
`with_diskcache`([template, chunksize, …])

Attributes

`ACTIVE_LONG`
`CREATION_COUNT`
`INSTANCE_UUID`
`base_cls`	Return the base class
`base_cls_name`	Return the name of the base class
`cls`	Return the class name as a string
`default_name`	Return the default name.
`is_named`	True if this object has a custom name.
`name`	Return the current name of the object.
`observe_objects`
`passing_chain`	Return a list of chaindicts in order they will be tried.