openpathsampling.shooting.BiasedSelector

class openpathsampling.shooting.BiasedSelector(func)[source]

General biased shooting point selector

Takes any function (wrapped in an OPS CV) and uses that as the bias for selecting the shooting point.

Parameters

func (CollectiveVariable) – A function wrapped in an OPS CV which gives the relative bias.

__init__(func)[source]

Methods

__init__(func)

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

f(snapshot, trajectory)

Returns the unnormalized proposal probability of a snapshot

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

pick(trajectory)

Returns the index of the chosen snapshot within trajectory

probability(snapshot, trajectory)

probability_ratio(snapshot, old_trajectory, ...)

reverse_uuid()

ruuid(uid)

set_observer(active)

(De-)Activate observing creation of storable objects

sum_bias(trajectory)

Returns the unnormalized probability probability of a trajectory.

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