, including all inherited members.
addCompoundSynonym(const Name &) | SimTK::Compound | |
addFirstBondCenter(const Compound::BondCenterName ¢erName, const Compound::AtomPathName &atomName) | SimTK::Compound | |
addLeftHandedBondCenter(const Compound::BondCenterName ¢erName, const Compound::AtomName &atomName, Angle bondAngle1, Angle bondAngle2) | SimTK::Compound | |
addPlanarBondCenter(const Compound::BondCenterName ¢erName, const Compound::AtomName &atomName, Angle bondAngle1, Angle bondAngle2) | SimTK::Compound | |
addRightHandedBondCenter(const Compound::BondCenterName ¢erName, const Compound::AtomName &atomName, Angle bondAngle1, Angle bondAngle2) | SimTK::Compound | |
addRingClosingBond(const Compound::BondCenterPathName ¢erName1, const Compound::BondCenterPathName ¢erName2, mdunits::Length bondLength, Angle dihedral=180 *Deg2Rad, BondMobility::Mobility mobility=BondMobility::Default) | SimTK::Compound | |
addRingClosingBond(const Compound::BondCenterPathName ¢erName1, const Compound::BondCenterPathName ¢erName2) | SimTK::Compound | |
addSecondBondCenter(const Compound::BondCenterName ¢erName, const Compound::AtomName &atomName, Angle bondAngle1) | SimTK::Compound | |
AminoAcidResidue(String name, String threeLetterCode="Unk", char oneLetterCode= '?') | SimTK::AminoAcidResidue | [inline, explicit] |
Arginine() | SimTK::AminoAcidResidue::Arginine | [inline] |
assignBiotypes(Ordinality::Residue ordinality=Ordinality::Any) | SimTK::BiopolymerResidue | |
AtomName typedef | SimTK::Compound | |
AtomPathName typedef | SimTK::Compound | |
AtomTargetLocations typedef | SimTK::Compound | |
BetaUnbranchedAminoAcidResidue(String name, String tlc, char olc) | SimTK::AminoAcidResidue::BetaUnbranchedAminoAcidResidue | [inline] |
BiopolymerResidue(const Compound::Name &residueTypeName, const String &threeLetterCode, char oneLetterCode) | SimTK::BiopolymerResidue | |
bondAtom(const Compound::SingleAtom &c, const BondCenterPathName &parentBondName, mdunits::Length distance, Angle dihedral=0, BondMobility::Mobility=BondMobility::Default) | SimTK::Compound | |
bondAtom(const Compound::SingleAtom &c, const BondCenterPathName &parentBondName) | SimTK::Compound | |
BondCenterName typedef | SimTK::Compound | |
BondCenterPathName typedef | SimTK::Compound | |
bondCompound(const Compound::Name &n, const Compound &c, const BondCenterPathName &parentBondName, mdunits::Length distance, Angle dihedral=180 *Deg2Rad, BondMobility::Mobility mobility=BondMobility::Default) | SimTK::Compound | |
bondCompound(const Compound::Name &n, const Compound &c, const BondCenterPathName &parentBondName) | SimTK::Compound | |
bondCompound(const Compound::Name &n, const Compound &c, const BondCenterPathName &parentBondName, BondMobility::Mobility mobility) | SimTK::Compound | |
calcAtomAccelerationInGroundFrame(const State &state, Compound::AtomIndex atomId) const | SimTK::Compound | |
calcAtomLocationInCompoundFrame(const State &state, Compound::AtomIndex atomId) const | SimTK::Compound | |
calcAtomLocationInGroundFrame(const State &state, Compound::AtomIndex atomId) const | SimTK::Compound | |
calcAtomVelocityInGroundFrame(const State &state, Compound::AtomIndex atomId) const | SimTK::Compound | |
calcDefaultAtomFrameInCompoundFrame(Compound::AtomIndex) const | SimTK::Compound | |
calcDefaultAtomLocationInCompoundFrame(const AtomPathName &atomName) const | SimTK::Compound | |
calcDefaultAtomLocationInGroundFrame(const AtomPathName &atomName) const | SimTK::Compound | |
calcDefaultDihedralAngle(const DihedralName &dihedralName) const | SimTK::Compound | |
calcDihedralAngle(const State &state, const DihedralName &dihedralName) const | SimTK::Compound | |
clearHandle() | SimTK::PIMPLHandle< Compound, CompoundRep > | |
Compound() | SimTK::Compound | |
Compound(const Name &name) | SimTK::Compound | [explicit] |
Compound(CompoundRep *ip) | SimTK::Compound | [explicit, protected] |
CompoundSystem class | SimTK::Compound | [friend] |
convertInboardBondCenterToOutboard() | SimTK::Compound | |
copyAssign(const Compound &source) | SimTK::PIMPLHandle< Compound, CompoundRep > | |
create(char oneLetterCode) | SimTK::AminoAcidResidue | [static] |
create(const PdbResidue &) | SimTK::AminoAcidResidue | [static] |
createAtomTargets(const class PdbStructure &targetStructure) const | SimTK::Compound | [virtual] |
createAtomTargets(const class PdbChain &targetChain) const | SimTK::Compound | [virtual] |
createAtomTargets(const class PdbResidue &targetResidue) const | SimTK::Compound | [virtual] |
defineDihedralAngle(const Compound::DihedralName &angleName, const Compound::AtomPathName &atom1, const Compound::AtomPathName &atom2, const Compound::AtomPathName &atom3, const Compound::AtomPathName &atom4, Angle offset=0 *Deg2Rad) | SimTK::Compound | |
defineDihedralAngle(const Compound::DihedralName &angleName, const Compound::BondCenterPathName &bond1, const Compound::BondCenterPathName &bond2, Angle offset=0 *Deg2Rad) | SimTK::Compound | |
DihedralName typedef | SimTK::Compound | |
disown(Compound &newOwner) | SimTK::PIMPLHandle< Compound, CompoundRep > | |
DistortPlanarBonds enum value | SimTK::Compound | |
fitDefaultConfiguration(const AtomTargetLocations &atomTargets, SimTK::Real targetRms) | SimTK::Compound | |
FlipPlanarBonds enum value | SimTK::Compound | |
getAtomBiotypeIndex(Compound::AtomIndex) const | SimTK::Compound | |
getAtomElement(Compound::AtomIndex) const | SimTK::Compound | |
getAtomElement(const Compound::AtomName &) const | SimTK::Compound | |
getAtomIndex(const Compound::AtomPathName &) const | SimTK::Compound | |
getAtomLocationInMobilizedBodyFrame(Compound::AtomIndex) const | SimTK::Compound | |
getAtomMobilizedBodyIndex(Compound::AtomIndex) const | SimTK::Compound | |
getAtomName(Compound::AtomIndex) const | SimTK::Compound | |
getBondAtomIndex(Compound::BondIndex bondIndex, int which) const | SimTK::Compound | |
getCompoundName() const | SimTK::Compound | |
getDuMMAtomIndex(Compound::AtomIndex) const | SimTK::Compound | |
getImpl() const | SimTK::PIMPLHandle< Compound, CompoundRep > | |
getImplHandleCount() const | SimTK::PIMPLHandle< Compound, CompoundRep > | |
getNumAtoms() const | SimTK::Compound | |
getNumBondCenters() const | SimTK::Compound | |
getNumBondCenters(Compound::AtomIndex atomIndex) const | SimTK::Compound | |
getNumBonds() const | SimTK::Compound | |
getOneLetterCode() const | SimTK::BiopolymerResidue | |
getParentCompoundAtomIndex(AtomIndex residueAtomIndex) const | SimTK::BiopolymerResidue | |
getPdbChainId() const | SimTK::Compound | |
getPdbResidueName() const | SimTK::Compound | |
getPdbResidueNumber() const | SimTK::Compound | |
getResidueTypeName() const | SimTK::BiopolymerResidue | |
getSubcompound(const Compound::Name &subcompoundName) const | SimTK::Compound | |
getSubcompoundFrameInParentFrame(const Compound::Name &subcompoundName) const | SimTK::Compound | |
getThreeLetterCode() const | SimTK::BiopolymerResidue | |
getTopLevelTransform() const | SimTK::Compound | |
getTransformAndResidual(const Compound::AtomTargetLocations &atomTargets) const | SimTK::Compound | |
HandleBase typedef | SimTK::PIMPLHandle< Compound, CompoundRep > | |
hasAtom(const AtomPathName &name) const | SimTK::Compound | |
hasBondCenter(const BondCenterPathName &bondCenter) const | SimTK::Compound | |
hasSameImplementation(const Compound &other) const | SimTK::PIMPLHandle< Compound, CompoundRep > | [protected] |
HNAminoAcidResidue(String name, String threeLetterCode="Unk", char oneLetterCode= '?') | SimTK::AminoAcidResidue::HNAminoAcidResidue | [inline, explicit] |
inheritAtomNames(const Compound::Name &) | SimTK::Compound | |
inheritBondCenterNames(const Compound::Name &) | SimTK::Compound | |
inheritCompoundSynonyms(const Compound &otherCompound) | SimTK::Compound | |
isEmptyHandle() const | SimTK::PIMPLHandle< Compound, CompoundRep > | |
isOwnerHandle() const | SimTK::PIMPLHandle< Compound, CompoundRep > | |
isSameHandle(const Compound &other) const | SimTK::PIMPLHandle< Compound, CompoundRep > | |
KeepPlanarBonds enum value | SimTK::Compound | |
Match_Exact enum value | SimTK::Compound | |
Match_Idealized enum value | SimTK::Compound | |
Match_TopologyOnly enum value | SimTK::Compound | |
matchDefaultAtomChirality(const AtomTargetLocations &atomTargets, Angle planarityTolerance=90.0 *Deg2Rad, bool flipAll=true) | SimTK::Compound | |
matchDefaultBondAngles(const AtomTargetLocations &atomTargets) | SimTK::Compound | |
matchDefaultBondLengths(const AtomTargetLocations &atomTargets) | SimTK::Compound | |
matchDefaultConfiguration(const AtomTargetLocations &atomTargets, MatchStratagem matchStratagem=Match_Exact) | SimTK::Compound | [inline] |
matchDefaultDihedralAngles(const AtomTargetLocations &atomTargets, PlanarBondMatchingPolicy policy=FlipPlanarBonds) | SimTK::Compound | |
matchDefaultTopLevelTransform(const AtomTargetLocations &atomTargets) | SimTK::Compound | |
MatchStratagem enum name | SimTK::Compound | |
Name typedef | SimTK::Compound | |
nameAtom(const Compound::AtomName &newName, const AtomPathName &oldName) | SimTK::Compound | |
nameAtom(const Compound::AtomName &newName, const AtomPathName &oldName, BiotypeIndex biotype) | SimTK::Compound | |
nameBondCenter(const Compound::BondCenterName &newName, const BondCenterPathName &oldName) | SimTK::Compound | |
operator=(const PIMPLHandle &source) | SimTK::PIMPLHandle< Compound, CompoundRep > | [protected] |
ParentHandle typedef | SimTK::PIMPLHandle< Compound, CompoundRep > | |
PIMPLHandle(CompoundRep *p=0) | SimTK::PIMPLHandle< Compound, CompoundRep > | [protected] |
PIMPLHandle(const PIMPLHandle &source) | SimTK::PIMPLHandle< Compound, CompoundRep > | [protected] |
PlanarBondMatchingPolicy enum name | SimTK::Compound | |
populateDefaultPdbChain(class PdbChain &, int &defaultNextResidueNumber, const Transform &transform=Transform()) const | SimTK::Compound | |
populatePdbChain(const State &state, class PdbChain &, int &defaultNextResidueNumber, const Transform &transform=Transform()) const | SimTK::Compound | |
referenceAssign(const Compound &source) | SimTK::PIMPLHandle< Compound, CompoundRep > | |
setAtomBiotype(const Compound::AtomPathName &atomName, const String &biotypeResidueName, const String &biotypeAtomName, SimTK::Ordinality::Residue ordinality=SimTK::Ordinality::Any) | SimTK::Compound | [inline] |
setBaseAtom(const Compound::AtomName &name, const Element &element, const Transform &location=Vec3(0)) | SimTK::Compound | |
setBaseAtom(const Compound::AtomName &name, const Biotype &biotype, const Transform &location=Vec3(0)) | SimTK::Compound | |
setBaseAtom(const Compound::SingleAtom &c, const Transform &=Transform()) | SimTK::Compound | |
setBaseCompound(const Compound::Name &n, const Compound &c, const Transform &location=Transform()) | SimTK::Compound | |
setBiotypeIndex(const Compound::AtomPathName &atomName, BiotypeIndex biotype) | SimTK::Compound | |
setBondMobility(BondMobility::Mobility mobility, const AtomPathName &atom1, const AtomPathName &atom2) | SimTK::Compound | |
setBondMobility(BondMobility::Mobility mobility, Compound::BondIndex bondIndex) | SimTK::Compound | |
setCompoundBondMobility(BondMobility::Mobility mobility) | SimTK::Compound | |
setCompoundName(const Name &) | SimTK::Compound | |
setDefaultBondAngle(Angle angle, const AtomPathName &atom1, const AtomPathName &atom2, const AtomPathName &atom3) | SimTK::Compound | |
setDefaultBondLength(mdunits::Length length, const AtomPathName &atom1, const AtomPathName &atom2) | SimTK::Compound | |
setDefaultDihedralAngle(const DihedralName &dihedralName, Angle angleInRadians) | SimTK::Compound | |
setDefaultDihedralAngle(Angle angle, Compound::AtomIndex atom1, Compound::AtomIndex atom2, Compound::AtomIndex atom3, Compound::AtomIndex atom4) | SimTK::Compound | |
setDefaultDihedralAngle(Angle angle, const Compound::AtomName &atom1, const Compound::AtomName &atom2, const Compound::AtomName &atom3, const Compound::AtomName &atom4) | SimTK::Compound | |
setDefaultInboardBondLength(mdunits::Length) | SimTK::Compound | |
setDefaultInboardDihedralAngle(Angle) | SimTK::Compound | |
setDefaultPhiAngle(Angle phi) | SimTK::AminoAcidResidue | [inline] |
setDefaultPsiAngle(Angle psi) | SimTK::AminoAcidResidue | [inline] |
setDihedralAngle(State &state, const DihedralName &dihedralName, Angle) | SimTK::Compound | |
setDuMMAtomIndex(Compound::AtomIndex, DuMM::AtomIndex) | SimTK::Compound | [protected] |
setImpl(CompoundRep *p) | SimTK::PIMPLHandle< Compound, CompoundRep > | [protected] |
setInboardBondCenter(const Compound::BondCenterName ¢erName) | SimTK::Compound | |
setMultibodySystem(MultibodySystem &system) | SimTK::Compound | |
setOneLetterCode(char olc) | SimTK::BiopolymerResidue | |
setPdbChainId(char chainId) | SimTK::Compound | |
setPdbResidueName(const String &resName) | SimTK::Compound | |
setPdbResidueNumber(int resNum) | SimTK::Compound | |
setResidueTypeName(const String &name) | SimTK::BiopolymerResidue | |
setThreeLetterCode(const String &tlc) | SimTK::BiopolymerResidue | |
setTopLevelTransform(const Transform &transform) | SimTK::Compound | |
SimTK_DEFINE_UNIQUE_LOCAL_INDEX_TYPE(Compound, AtomIndex) | SimTK::Compound | |
SimTK_DEFINE_UNIQUE_LOCAL_INDEX_TYPE(Compound, LocalAtomIndex) | SimTK::Compound | |
SimTK_DEFINE_UNIQUE_LOCAL_INDEX_TYPE(Compound, BondCenterIndex) | SimTK::Compound | |
SimTK_DEFINE_UNIQUE_LOCAL_INDEX_TYPE(Compound, BondIndex) | SimTK::Compound | |
SimTK_INSERT_DERIVED_HANDLE_DECLARATIONS(BiopolymerResidue, BiopolymerResidueRep, Compound) | SimTK::BiopolymerResidue | |
updImpl() | SimTK::PIMPLHandle< Compound, CompoundRep > | |
updSubcompound(const Compound::Name &subcompoundName) | SimTK::Compound | |
writeDefaultPdb(std::ostream &os, const Transform &transform=Transform()) const | SimTK::Compound | |
writeDefaultPdb(const char *outFileName, const Transform &transform) const | SimTK::Compound | |
writeDefaultPdb(std::ostream &os, int &nextAtomSerialNumber, const Transform &transform=Transform()) const | SimTK::Compound | |
writePdb(const State &state, std::ostream &os, const Transform &transform=Transform()) const | SimTK::Compound | |
writePdb(const State &state, std::ostream &os, int &nextAtomSerialNumber, const Transform &transform=Transform()) const | SimTK::Compound | |
~PIMPLHandle() | SimTK::PIMPLHandle< Compound, CompoundRep > | [protected] |