meld.system.restraints.SelectivelyActiveCollection

class meld.system.restraints.SelectivelyActiveCollection(restraint_list, num_active)[source]

Bases: object

A collection of RestraintGroup that are selectively active

Each time step the num_active lowest energy groups will be active.

__init__(restraint_list, num_active)[source]

Initialize a SelectivelyActiveCollection

Args

restraint_list: list of restraints to add to collection num_active: number active each time step

Note

restraint_list can contain both RestraintGroup and SelectableRestraint. Any SelectableRestraints will be put into a singleton RestraintGroup.

Methods

__init__(restraint_list, num_active)

Initialize a SelectivelyActiveCollection

Attributes

groups

Number of groups in collection

num_active

Number active in collection

property groups: List[RestraintGroup]

Number of groups in collection

Return type

List[RestraintGroup]

property num_active: int

Number active in collection

Return type

int