openpathsampling.high_level.interface_set.GenericVolumeInterfaceSet

class openpathsampling.high_level.interface_set.GenericVolumeInterfaceSet(cv, minvals, maxvals, intersect_with, volume_func)[source]

Abstract class for InterfaceSets for CVRange-based volumes.

Subclasses act as factories for interface volumes, as well as holding the metadata about them.

Parameters
  • cv (CollectiveVariable) – the collective variable for this interface set

  • minvals (float or int or list of float or list of int) – the minimum value(s) for the interface set

  • maxvals (float or int or list of float or list of int) – the maximum value(s) for the interface set

  • intersect_with (Volume) – output volumes will be intersected (&) with this.

  • volume_func (callable, returns :class:.`Volume`, takes minval, maxval) – the function to create the interface volume based on the CV. Typically the differentiating factor of subclasses.

__init__(cv, minvals, maxvals, intersect_with, volume_func)[source]

Initialize self. See help(type(self)) for accurate signature.

Methods

__init__(cv, minvals, maxvals, …)

Initialize self.

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_lambda(volume)

Lambda (value of the CV) associated with a given interface volume

get_uuid()

idx(store)

Return the index which is used for the object in the given store.

named(name)

Name an unnamed object.

new_interface(lambda_i)

Creates a new interface at lambda_i.

objects()

Returns a dictionary of all storable objects

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