Package edu.duke.cs.osprey.gmec

Class PrecomputedMatrices

java.lang.Object

edu.duke.cs.osprey.gmec.PrecomputedMatrices

public class PrecomputedMatrices
extends Object

Information about RC tuples in a single-state design system (possibly part of a multistate design) Stored in matrices. Energy, pruning, etc.

Nested Class Summary

Nested Classes

Modifier and Type	Class	Description
static enum	PrecomputedMatrices.MatrixType

Constructor Summary

Constructors

Constructor	Description
PrecomputedMatrices(double pruningInterval, double Ew, String name, EnergyMatrix emat, SimpleConfSpace confSpace, EnergyCalculator ecalc, ConfEnergyCalculator confECalc, EPICSettings epicSettings, LUTESettings luteSettings, PruningSettings pruningSettings)

Method Summary

Modifier and Type	Method	Description
TupleMatrix<?>	calcMatrix(PrecomputedMatrices.MatrixType type)
PruningMatrix	getCompetitorPruneMat()
SimpleConfSpace	getConfSpace()
EnergyMatrix	getEmat()
NewEPICMatrix	getEpicMat()
EnergyMatrix	getLuteMat()
PruningMatrix	getPruneMat()
void	loadEnergyMatrix()
void	loadEPICMatrix()
void	loadMatrix(PrecomputedMatrices.MatrixType type)
void	loadTupExpEMatrix()
boolean	shouldWeUseLUTE()

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Details

PrecomputedMatrices

public PrecomputedMatrices(double pruningInterval,
 double Ew,
 String name,
 EnergyMatrix emat,
 SimpleConfSpace confSpace,
 EnergyCalculator ecalc,
 ConfEnergyCalculator confECalc,
 EPICSettings epicSettings,
 LUTESettings luteSettings,
 PruningSettings pruningSettings)

Method Details

loadEnergyMatrix

public void loadEnergyMatrix()

loadTupExpEMatrix

public void loadTupExpEMatrix()

loadEPICMatrix

public void loadEPICMatrix()

loadMatrix

public void loadMatrix(PrecomputedMatrices.MatrixType type)

calcMatrix

public TupleMatrix<?> calcMatrix(PrecomputedMatrices.MatrixType type)

getEmat

public EnergyMatrix getEmat()

getPruneMat

public PruningMatrix getPruneMat()

getEpicMat

public NewEPICMatrix getEpicMat()

getLuteMat

public EnergyMatrix getLuteMat()

getCompetitorPruneMat

public PruningMatrix getCompetitorPruneMat()

getConfSpace

public SimpleConfSpace getConfSpace()

shouldWeUseLUTE

public boolean shouldWeUseLUTE()