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 setminvals (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.
Methods
__init__
(cv, minvals, maxvals, ...)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
simstore