edu.duke.cs.osprey/edu.duke.cs.osprey.gui.prep/Assignments

Assignments

class Assignments(confSpace: ConfSpace, assignments: List<PosAssignment>)

Copies the molecules from the conformation space, and set the conformations at each specified design position.

Constructors

fun Assignments(confSpace: ConfSpace, assignments: List<PosAssignment>)

Types

class AssignmentInfo(molInfo: Assignments.MolInfo, confSwitcher: ConfSwitcher)

class MolInfo(assignedMol: Molecule, confSpaceMol: Molecule, maps: MoleculeMaps)

Functions

fun assignmentInfo(pos: DesignPosition): PosAssignment?

molInfoByConfSpaceMol

fun molInfoByConfSpaceMol(confSpaceMol: Molecule): Assignments.MolInfo

Properties

assignmentInfos

val assignmentInfos: Map<PosAssignment, Assignments.AssignmentInfo>

val assignments: List<PosAssignment>

val confSpace: ConfSpace

val molInfos: List<Assignments.MolInfo>