, 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 | |
| AtomName typedef | SimTK::Compound | |
| AtomPathName typedef | SimTK::Compound | |
| AtomTargetLocations typedef | SimTK::Compound | |
| 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 > | |
| 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 | |
| getPdbChainId() const | SimTK::Compound | |
| getPdbResidueName() const | SimTK::Compound | |
| getPdbResidueNumber() const | SimTK::Compound | |
| getSubcompound(const Compound::Name &subcompoundName) const | SimTK::Compound | |
| getSubcompoundFrameInParentFrame(const Compound::Name &subcompoundName) const | SimTK::Compound | |
| 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] |
| 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 | |
| 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 | |
| setPdbChainId(char chainId) | SimTK::Compound | |
| setPdbResidueName(const String &resName) | SimTK::Compound | |
| setPdbResidueNumber(int resNum) | SimTK::Compound | |
| 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 | |
| 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] |
1.7.3
