openpathsampling.volume.CVDefinedVolume

class openpathsampling.volume.CVDefinedVolume(collectivevariable, lambda_min=0.0, lambda_max=1.0)[source]

Volume defined by a range of a collective variable collectivevariable.

Contains all snapshots snap for which lamba_min <= collectivevariable(snap) and lambda_max > collectivevariable(snap).

Parameters
  • collectivevariable (CollectiveVariable) – the CV to base the volume on

  • lambda_min (float) – minimum value of the CV

  • lambda_max (float) – maximum value of the CV

__init__(collectivevariable, lambda_min=0.0, lambda_max=1.0)[source]

Methods

__init__(collectivevariable[, lambda_min, …])

args()

Return a list of args of the __init__ function of a class

base()

Return the most parent class actually derived from StorableObject

count_weaks()

Return number of objects subclassed from StorableObject still in memory

descendants()

Return a list of all subclassed objects

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

range_and(amin, amax, bmin, bmax)

range_or(amin, amax, bmin, bmax)

range_sub(amin, amax, bmin, bmax)

reverse_uuid()

ruuid(uid)

set_observer(active)

(De-)Activate observing creation of storable objects

to_dict()

Convert object into a dictionary representation

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