Orderparameter Functions

openpathsampling.Orderparameters

>>> import openpathsampling as paths
>>> mover = paths.Orderparameter()

basic orderparamters

OrderParameter(name[, dimensions])	Wrapper for a function that maps a snapshot to a number.
OP_Function(name, fcn, **kwargs)	Make any function fcn into an OrderParameter.

simple orderparameters

OP_Volume(name, volume)

Make Volume into OrderParameter: maps to 0.0 or 1.0

mdtraj orderparamters

OP_MD_Function(name, fcn, **kwargs)	Make OrderParameter from fcn that takes mdtraj.trajectory as input.
OP_RMSD_To_Lambda(name, center, lambda_min, ...)	Transforms the RMSD from center to a value between zero and one.

msmbuilder3 orderparameters

OP_Featurizer