edu.duke.cs.osprey/edu.duke.cs.osprey.gui.compiler/AtomPairs

AtomPairs

Types

data class AtomPair(atomi1: Int, atomi2: Int, paramsi: Int)

class ParamsCache(list: ArrayList<List<Double>>) : List<List<Double>>

Different atom pairs will often yield the exact same forcefield parameters. This cache allows us to de-duplicate the params and save quite a bit of space/time.

PosPairs

inner class PosPairs(index: ConfSpaceIndex)

PosSingles

inner class PosSingles(index: ConfSpaceIndex)

Static

inner class Static(list: ArrayList<AtomPairs.AtomPair>) : List<AtomPairs.AtomPair>

Properties

paramsCache

val paramsCache: AtomPairs.ParamsCache

pos

val pos: AtomPairs.PosSingles

posPos

val posPos: AtomPairs.PosPairs

posStatic

val posStatic: AtomPairs.PosSingles

static

val static: AtomPairs.Static