openpathsampling.analysis.tis.MinusMoveFlux

class openpathsampling.analysis.tis.MinusMoveFlux(scheme, flux_pairs=None)

Calculating the flux from the minus move.

Raises:

ValueError – if the number of interface sets per minus move is greater than one. Cannot use Minus Move flux calculation with multiple interface set TIS.

Parameters:

• scheme (MoveScheme) – move scheme that was used (includes information on the minus movers and on the network)

• flux_pairs (list of 2-tuple of Volume) – pairs of (state, interface) for calculating the flux out of the volume and through the state. Default is None, in which case the state and innermost interface are used.

__init__(scheme, flux_pairs=None)

Methods

__init__(scheme[, flux_pairs])
args()	Return a list of args of the __init__ function of a class
base()	Return the most parent class actually derived from StorableObject
calculate(steps)	Perform the analysis, using steps as input.
calculate_from_intermediates(*intermediates)	Perform the analysis, using intermediates as input.
combine_results(result_1, result_2)	Combine two sets of results from this analysis.
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
from_trajectory_transition_flux_dict(flux_dicts)	Load from existing TrajectoryTransitionAnalysis calculations.
from_weighted_trajectories(input_dict)	Not implemented for flux calculation.
get_uuid()
idx(store)	Return the index which is used for the object in the given store.
intermediates(steps)	Calculate intermediates, using steps as input.
named(name)	Name an unnamed object.
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
trajectory_transition_flux_dict(minus_steps)	Main minus move-based flux analysis routine.

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
progress