, including all inherited members.
addAtom(DuMM::ChargedAtomTypeIndex chargedAtomTypeIx) | DuMMForceFieldSubsystem | |
addBond(DuMM::AtomIndex atom1Ix, DuMM::AtomIndex atom2Ix) | DuMMForceFieldSubsystem | |
adoptSubsystemGuts(Subsystem::Guts *g) | Subsystem | |
Amber99ForceSubsystem(MolecularMechanicsSystem &system) | Amber99ForceSubsystem | [inline, explicit] |
attachAtomToBody(DuMM::AtomIndex atomIx, MobilizedBodyIndex body, const Vec3 &station=Vec3(0)) | DuMMForceFieldSubsystem | |
attachClusterToBody(DuMM::ClusterIndex clusterIx, MobilizedBodyIndex body, const Transform &=Transform()) | DuMMForceFieldSubsystem | |
calcClusterMassProperties(DuMM::ClusterIndex clusterIx, const Transform &=Transform()) const | DuMMForceFieldSubsystem | |
createCluster(const char *clusterName) | DuMMForceFieldSubsystem | |
defineAmberImproperTorsion(DuMM::AtomClassIndex class1, DuMM::AtomClassIndex class2, DuMM::AtomClassIndex class3, DuMM::AtomClassIndex class4, int periodicity1, Real amp1InKJ, Real phase1InDegrees) | DuMMForceFieldSubsystem | |
defineAmberImproperTorsion(DuMM::AtomClassIndex class1, DuMM::AtomClassIndex class2, DuMM::AtomClassIndex class3, DuMM::AtomClassIndex class4, int periodicity1, Real amp1InKJ, Real phase1InDegrees, int periodicity2, Real amp2InKJ, Real phase2InDegrees) | DuMMForceFieldSubsystem | |
defineAmberImproperTorsion(DuMM::AtomClassIndex class1, DuMM::AtomClassIndex class2, DuMM::AtomClassIndex class3, DuMM::AtomClassIndex class4, int periodicity1, Real amp1InKJ, Real phase1InDegrees, int periodicity2, Real amp2InKJ, Real phase2InDegrees, int periodicity3, Real amp3InKJ, Real phase3InDegrees) | DuMMForceFieldSubsystem | |
defineAmberImproperTorsion_KA(DuMM::AtomClassIndex class1, DuMM::AtomClassIndex class2, DuMM::AtomClassIndex class3, DuMM::AtomClassIndex class4, int periodicity1, Real amp1InKcal, Real phase1InDegrees) | DuMMForceFieldSubsystem | [inline] |
defineAmberImproperTorsion_KA(DuMM::AtomClassIndex class1, DuMM::AtomClassIndex class2, DuMM::AtomClassIndex class3, DuMM::AtomClassIndex class4, int periodicity1, Real amp1InKcal, Real phase1InDegrees, int periodicity2, Real amp2InKcal, Real phase2InDegrees) | DuMMForceFieldSubsystem | [inline] |
defineAmberImproperTorsion_KA(DuMM::AtomClassIndex class1, DuMM::AtomClassIndex class2, DuMM::AtomClassIndex class3, DuMM::AtomClassIndex class4, int periodicity1, Real amp1InKcal, Real phase1InDegrees, int periodicity2, Real amp2InKcal, Real phase2InDegrees, int periodicity3, Real amp3InKcal, Real phase3InDegrees) | DuMMForceFieldSubsystem | [inline] |
defineAtomClass(DuMM::AtomClassIndex atomClassIx, const char *atomClassName, int elementNumber, int expectedValence, Real vdwRadiusInNm, Real vdwWellDepthInKJ) | DuMMForceFieldSubsystem | [inline] |
defineAtomClass_KA(DuMM::AtomClassIndex atomClassIx, const char *atomClassName, int element, int valence, Real vdwRadiusInAng, Real vdwWellDepthInKcal) | DuMMForceFieldSubsystem | [inline] |
defineAtomClass_KA(int atomClassIx, const char *atomClassName, int element, int valence, Real vdwRadiusInAng, Real vdwWellDepthInKcal) | DuMMForceFieldSubsystem | [inline] |
defineBondBend(DuMM::AtomClassIndex class1, DuMM::AtomClassIndex class2, DuMM::AtomClassIndex class3, Real stiffnessInKJPerRadSq, Real nominalAngleInDeg) | DuMMForceFieldSubsystem | |
defineBondBend_KA(DuMM::AtomClassIndex class1, DuMM::AtomClassIndex class2, DuMM::AtomClassIndex class3, Real stiffnessInKcalPerRadSq, Real nominalAngleInDeg) | DuMMForceFieldSubsystem | [inline] |
defineBondBend_KA(int class1, int class2, int class3, Real stiffnessInKcalPerRadSq, Real nominalAngleInDeg) | DuMMForceFieldSubsystem | [inline] |
defineBondStretch(DuMM::AtomClassIndex class1, DuMM::AtomClassIndex class2, Real stiffnessInKJperNmSq, Real nominalLengthInNm) | DuMMForceFieldSubsystem | |
defineBondStretch_KA(DuMM::AtomClassIndex class1, DuMM::AtomClassIndex class2, Real stiffnessInKcalPerAngSq, Real nominalLengthInAng) | DuMMForceFieldSubsystem | [inline] |
defineBondStretch_KA(int class1, int class2, Real stiffnessInKcalPerAngSq, Real nominalLengthInAng) | DuMMForceFieldSubsystem | [inline] |
defineBondTorsion(DuMM::AtomClassIndex class1, DuMM::AtomClassIndex class2, DuMM::AtomClassIndex class3, DuMM::AtomClassIndex class4, int periodicity1, Real amp1InKJ, Real phase1InDegrees) | DuMMForceFieldSubsystem | |
defineBondTorsion(DuMM::AtomClassIndex class1, DuMM::AtomClassIndex class2, DuMM::AtomClassIndex class3, DuMM::AtomClassIndex class4, int periodicity1, Real amp1InKJ, Real phase1InDegrees, int periodicity2, Real amp2InKJ, Real phase2InDegrees) | DuMMForceFieldSubsystem | |
defineBondTorsion(DuMM::AtomClassIndex class1, DuMM::AtomClassIndex class2, DuMM::AtomClassIndex class3, DuMM::AtomClassIndex class4, int periodicity1, Real amp1InKJ, Real phase1InDegrees, int periodicity2, Real amp2InKJ, Real phase2InDegrees, int periodicity3, Real amp3InKJ, Real phase3InDegrees) | DuMMForceFieldSubsystem | |
defineBondTorsion_KA(DuMM::AtomClassIndex class1, DuMM::AtomClassIndex class2, DuMM::AtomClassIndex class3, DuMM::AtomClassIndex class4, int periodicity1, Real amp1InKcal, Real phase1InDegrees) | DuMMForceFieldSubsystem | [inline] |
defineBondTorsion_KA(DuMM::AtomClassIndex class1, DuMM::AtomClassIndex class2, DuMM::AtomClassIndex class3, DuMM::AtomClassIndex class4, int periodicity1, Real amp1InKcal, Real phase1InDegrees, int periodicity2, Real amp2InKcal, Real phase2InDegrees) | DuMMForceFieldSubsystem | [inline] |
defineBondTorsion_KA(DuMM::AtomClassIndex class1, DuMM::AtomClassIndex class2, DuMM::AtomClassIndex class3, DuMM::AtomClassIndex class4, int periodicity1, Real amp1InKcal, Real phase1InDegrees, int periodicity2, Real amp2InKcal, Real phase2InDegrees, int periodicity3, Real amp3InKcal, Real phase3InDegrees) | DuMMForceFieldSubsystem | [inline] |
defineBondTorsion_KA(int class1, int class2, int class3, int class4, int periodicity1, Real amp1InKcal, Real phase1InDegrees) | DuMMForceFieldSubsystem | [inline] |
defineBondTorsion_KA(int class1, int class2, int class3, int class4, int periodicity1, Real amp1InKcal, Real phase1InDegrees, int periodicity2, Real amp2InKcal, Real phase2InDegrees) | DuMMForceFieldSubsystem | [inline] |
defineBondTorsion_KA(int class1, int class2, int class3, int class4, int periodicity1, Real amp1InKcal, Real phase1InDegrees, int periodicity2, Real amp2InKcal, Real phase2InDegrees, int periodicity3, Real amp3InKcal, Real phase3InDegrees) | DuMMForceFieldSubsystem | [inline] |
defineChargedAtomType(DuMM::ChargedAtomTypeIndex atomTypeIx, const char *atomTypeName, DuMM::AtomClassIndex atomClassIx, Real partialChargeInE) | DuMMForceFieldSubsystem | [inline] |
defineChargedAtomType_KA(DuMM::ChargedAtomTypeIndex atomTypeIx, const char *atomTypeName, DuMM::AtomClassIndex atomClassIx, Real partialChargeInE) | DuMMForceFieldSubsystem | [inline] |
defineChargedAtomType_KA(int atomTypeIx, const char *atomTypeName, int atomClassIx, Real partialChargeInE) | DuMMForceFieldSubsystem | [inline] |
defineIncompleteAtomClass(DuMM::AtomClassIndex classIx, const char *name, int elementNumber, int valence) | DuMMForceFieldSubsystem | [protected] |
defineIncompleteAtomClass_KA(DuMM::AtomClassIndex classIx, const char *name, int elementNumber, int valence) | DuMMForceFieldSubsystem | [inline, protected] |
defineIncompleteChargedAtomType(DuMM::ChargedAtomTypeIndex typeIx, const char *name, DuMM::AtomClassIndex classIx) | DuMMForceFieldSubsystem | [protected] |
defineIncompleteChargedAtomType_KA(DuMM::ChargedAtomTypeIndex typeIx, const char *name, DuMM::AtomClassIndex classIx) | DuMMForceFieldSubsystem | [inline, protected] |
DuMMForceFieldSubsystem | DuMMForceFieldSubsystem | [protected] |
DuMMForceFieldSubsystem() | DuMMForceFieldSubsystem | |
DuMMForceFieldSubsystem(MolecularMechanicsSystem &) | DuMMForceFieldSubsystem | [explicit] |
dump() const | DuMMForceFieldSubsystem | |
dumpCForceFieldParameters(std::ostream &os, const String &methodName="loadParameters") const | DuMMForceFieldSubsystem | |
ForceSubsystem | DuMMForceFieldSubsystem | [protected] |
SimTK::ForceSubsystem::ForceSubsystem() | ForceSubsystem | [inline] |
generateBiotypeChargedAtomTypeSelfCode(std::ostream &os) const | DuMMForceFieldSubsystem | |
getAtomBody(DuMM::AtomIndex atomIx) const | DuMMForceFieldSubsystem | |
getAtomClassIndex(const String &atomClassName) const | DuMMForceFieldSubsystem | |
getAtomClassIndex(DuMM::AtomIndex atomIx) const | DuMMForceFieldSubsystem | |
getAtomDefaultColor(DuMM::AtomIndex atomIx) const | DuMMForceFieldSubsystem | |
getAtomElement(DuMM::AtomIndex atomIx) const | DuMMForceFieldSubsystem | |
getAtomMass(DuMM::AtomIndex atomIx) const | DuMMForceFieldSubsystem | |
getAtomRadius(DuMM::AtomIndex atomIx) const | DuMMForceFieldSubsystem | |
getAtomStationInCluster(DuMM::AtomIndex atomIx, DuMM::ClusterIndex clusterIx) const | DuMMForceFieldSubsystem | |
getAtomStationOnBody(DuMM::AtomIndex atomIx) const | DuMMForceFieldSubsystem | |
getBiotypeChargedAtomType(BiotypeIndex biotypeIx) const | DuMMForceFieldSubsystem | |
getBondAtom(DuMM::BondIndex bond, int which) const | DuMMForceFieldSubsystem | |
getCacheEntry(const State &, int index) const | Subsystem | |
getChargedAtomTypeIndex(const String &chargedTypeName) const | DuMMForceFieldSubsystem | |
getClusterBody(DuMM::ClusterIndex clusterIx) const | DuMMForceFieldSubsystem | |
getClusterPlacementInCluster(DuMM::ClusterIndex childClusterIndex, DuMM::ClusterIndex parentClusterIndex) const | DuMMForceFieldSubsystem | |
getClusterPlacementOnBody(DuMM::ClusterIndex clusterIx) const | DuMMForceFieldSubsystem | |
getDiscreteVariable(const State &, int index) const | Subsystem | |
getElementDefaultColor(int atomicNumber) const | DuMMForceFieldSubsystem | |
getForceEvaluationCount() const | DuMMForceFieldSubsystem | |
getMultipliers(const State &) const | Subsystem | |
getMultipliersStart(const State &) const | Subsystem | |
getMySubsystemIndex() const | Subsystem | |
getName() const | Subsystem | |
getNAtoms() const | DuMMForceFieldSubsystem | |
getNBonds() const | DuMMForceFieldSubsystem | |
getNextUnusedAtomClassIndex() const | DuMMForceFieldSubsystem | |
getNextUnusedChargedAtomTypeIndex() const | DuMMForceFieldSubsystem | |
getNMultipliers(const State &) const | Subsystem | |
getNQ(const State &) const | Subsystem | |
getNQErr(const State &) const | Subsystem | |
getNU(const State &) const | Subsystem | |
getNUDotErr(const State &) const | Subsystem | |
getNUErr(const State &) const | Subsystem | |
getNZ(const State &) const | Subsystem | |
getQ(const State &) const | Subsystem | |
getQDot(const State &) const | Subsystem | |
getQDotDot(const State &) const | Subsystem | |
getQErr(const State &) const | Subsystem | |
getQErrStart(const State &) const | Subsystem | |
getQStart(const State &) const | Subsystem | |
getStage(const State &) const | Subsystem | |
getSubsystemGuts() const | Subsystem | [inline] |
getSystem() const | Subsystem | |
getU(const State &) const | Subsystem | |
getUDot(const State &) const | Subsystem | |
getUDotErr(const State &) const | Subsystem | |
getUDotErrStart(const State &) const | Subsystem | |
getUErr(const State &) const | Subsystem | |
getUErrStart(const State &) const | Subsystem | |
getUseMultithreadedComputation() | DuMMForceFieldSubsystem | |
getUStart(const State &) const | Subsystem | |
getVdwGlobalScaleFactor() const | DuMMForceFieldSubsystem | |
getVdwMixingRule() const | DuMMForceFieldSubsystem | |
getVdwMixingRuleName(VdwMixingRule) const | DuMMForceFieldSubsystem | |
getVdwRadius(DuMM::AtomClassIndex atomClassIx) const | DuMMForceFieldSubsystem | |
getVdwWellDepth(DuMM::AtomClassIndex atomClassIx) const | DuMMForceFieldSubsystem | |
getVersion() const | Subsystem | |
getZ(const State &) const | Subsystem | |
getZDot(const State &) const | Subsystem | |
getZStart(const State &) const | Subsystem | |
Guts class | Subsystem | [friend] |
HalgrenHHG enum value | DuMMForceFieldSubsystem | |
hasAtomClass(DuMM::AtomClassIndex) const | DuMMForceFieldSubsystem | |
hasAtomClass(const String &atomClassName) const | DuMMForceFieldSubsystem | |
hasChargedAtomType(DuMM::ChargedAtomTypeIndex) const | DuMMForceFieldSubsystem | |
hasChargedAtomType(const String &chargedTypeName) const | DuMMForceFieldSubsystem | |
hasGuts() const | Subsystem | [inline] |
invalidateSubsystemTopologyCache() const | Subsystem | |
isEmptyHandle() const | Subsystem | |
isInSameSystem(const Subsystem &otherSubsystem) const | Subsystem | |
isInSystem() const | Subsystem | |
isOwnerHandle() const | Subsystem | |
isSameSubsystem(const Subsystem &otherSubsystem) const | Subsystem | |
isValidAtomClass(DuMM::AtomClassIndex) const | DuMMForceFieldSubsystem | [protected] |
Jorgensen enum value | DuMMForceFieldSubsystem | |
Kong enum value | DuMMForceFieldSubsystem | |
loadAmber99Parameters() | DuMMForceFieldSubsystem | |
loadTestMoleculeParameters() | DuMMForceFieldSubsystem | |
LorentzBerthelot enum value | DuMMForceFieldSubsystem | |
MolecularMechanicsSystem class | DuMMForceFieldSubsystem | [friend] |
operator=(const Subsystem &) | Subsystem | |
placeAtomInCluster(DuMM::AtomIndex atomIx, DuMM::ClusterIndex clusterIx, const Vec3 &station) | DuMMForceFieldSubsystem | |
placeClusterInCluster(DuMM::ClusterIndex childClusterIndex, DuMM::ClusterIndex parentClusterIndex, const Transform &placement) | DuMMForceFieldSubsystem | |
populateFromTinkerParameterFile(std::istream &) | DuMMForceFieldSubsystem | |
setAllGlobalScaleFactors(Real s) | DuMMForceFieldSubsystem | [inline] |
setAmberImproperTorsionGlobalScaleFactor(Real) | DuMMForceFieldSubsystem | |
setAtomClassVdwParameters(DuMM::AtomClassIndex atomClassIx, Real vdwRadiusInNm, Real vdwWellDepthInKJPerMol) | DuMMForceFieldSubsystem | [protected] |
setAtomClassVdwParameters_KA(DuMM::AtomClassIndex atomClassIx, Real radiusInAng, Real wellDepthInKcal) | DuMMForceFieldSubsystem | [inline, protected] |
setBiotypeChargedAtomType(DuMM::ChargedAtomTypeIndex chargedAtomTypeIndex, BiotypeIndex biotypeIx) | DuMMForceFieldSubsystem | |
setBondBendGlobalScaleFactor(Real) | DuMMForceFieldSubsystem | |
setBondStretchGlobalScaleFactor(Real) | DuMMForceFieldSubsystem | |
setBondTorsionGlobalScaleFactor(Real) | DuMMForceFieldSubsystem | |
setChargedAtomTypeCharge(DuMM::ChargedAtomTypeIndex, Real charge) | DuMMForceFieldSubsystem | [protected] |
setChargedAtomTypeCharge_KA(DuMM::ChargedAtomTypeIndex chargedAtomTypeIx, Real charge) | DuMMForceFieldSubsystem | [inline, protected] |
setCoulomb12ScaleFactor(Real) | DuMMForceFieldSubsystem | |
setCoulomb13ScaleFactor(Real) | DuMMForceFieldSubsystem | |
setCoulomb14ScaleFactor(Real) | DuMMForceFieldSubsystem | |
setCoulomb15ScaleFactor(Real) | DuMMForceFieldSubsystem | |
setCoulombGlobalScaleFactor(Real) | DuMMForceFieldSubsystem | |
setGbsaGlobalScaleFactor(Real) | DuMMForceFieldSubsystem | |
setGbsaIncludeAceApproximation(bool) | DuMMForceFieldSubsystem | |
setGbsaIncludeAceApproximationOff() | DuMMForceFieldSubsystem | [inline] |
setGbsaIncludeAceApproximationOn() | DuMMForceFieldSubsystem | [inline] |
setQ(State &s, const Vector &q) const | Subsystem | [inline] |
setSystem(System &, SubsystemIndex) | Subsystem | |
setU(State &s, const Vector &u) const | Subsystem | [inline] |
setUseMultithreadedComputation(bool) | DuMMForceFieldSubsystem | |
setVdw12ScaleFactor(Real) | DuMMForceFieldSubsystem | |
setVdw13ScaleFactor(Real) | DuMMForceFieldSubsystem | |
setVdw14ScaleFactor(Real) | DuMMForceFieldSubsystem | |
setVdw15ScaleFactor(Real) | DuMMForceFieldSubsystem | |
setVdwGlobalScaleFactor(Real) | DuMMForceFieldSubsystem | |
setVdwMixingRule(VdwMixingRule) | DuMMForceFieldSubsystem | |
setZ(State &s, const Vector &z) const | Subsystem | [inline] |
Subsystem | DuMMForceFieldSubsystem | [protected] |
SimTK::Subsystem::Subsystem() | Subsystem | [inline] |
SimTK::Subsystem::Subsystem(const Subsystem &) | Subsystem | |
SimTK::Subsystem::Subsystem(Subsystem::Guts *g) | Subsystem | [inline, explicit] |
subsystemTopologyHasBeenRealized() const | Subsystem | |
updCacheEntry(const State &, int index) const | Subsystem | |
updDiscreteVariable(State &, int index) const | Subsystem | |
updMultipliers(const State &) const | Subsystem | |
updQ(State &) const | Subsystem | |
updQDot(const State &) const | Subsystem | |
updQDotDot(const State &) const | Subsystem | |
updQErr(const State &) const | Subsystem | |
updSubsystemGuts() | Subsystem | [inline] |
updSystem() | Subsystem | |
updU(State &) const | Subsystem | |
updUDot(const State &) const | Subsystem | |
updUDotErr(const State &) const | Subsystem | |
updUErr(const State &) const | Subsystem | |
updZ(State &) const | Subsystem | |
updZDot(const State &) const | Subsystem | |
VdwMixingRule enum name | DuMMForceFieldSubsystem | |
WaldmanHagler enum value | DuMMForceFieldSubsystem | |
~Subsystem() | Subsystem | |