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

MoleculePrep

class MoleculePrep(win: WindowCommands, mols: List<Molecule>)

Functions

getIncludedMols

fun getIncludedMols(): List<Molecule>

getIncludedTypedMols

fun getIncludedTypedMols(): List<Pair<MoleculeType, Molecule>>

fun isIncluded(mol: Molecule): Boolean

fun setIncluded(mol: Molecule, isIncluded: Boolean, slide: Slide.Locked)

Properties

var name: String

val partition: List<Pair<MoleculeType, Molecule>>

val slide: Slide