Volume Functions

openpathsampling.Volume

>>> import openpathsampling as paths
>>> volume = paths.Vnsemble()

basic volumes

Volume() A Volume describes a set of snapshots
FullVolume() Volume which all snapshots can satisfy.
EmptyVolume() Empty volume: no snapshot can satisfy

set-based volume combinations

IntersectionVolume(volume1, volume2) “And” combination (intersection) of two volumes.
UnionVolume(volume1, volume2) “Or” combination (union) of two volumes.
SymmetricDifferenceVolume(volume1, volume2) “Xor” combination of two volumes.
RelativeComplementVolume(volume1, volume2) “Subtraction” combination (relative complement) of two volumes.
VolumeCombination(volume1, volume2, fnc, str_fnc) Logical combination of volumes.

collective variable-based volumes

CVDefinedVolume(collectivevariable[, …]) Volume defined by a range of a collective variable collectivevariable.
PeriodicCVDefinedVolume(collectivevariable) As with CVDefinedVolume, but for a periodic order parameter.