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OBAtom Member List

This is the complete list of members for OBAtom, including all inherited members.

_c | OBAtom | protected
_cidx | OBAtom | protected
_ele | OBAtom | protected
_fcharge | OBAtom | protected
_flags | OBAtom | protected
_hyb | OBAtom | protected
_id | OBAtom | protected
_idx | OBAtom | protected
_imph | OBAtom | protected
_isotope | OBAtom | protected
_parent | OBAtom | protected
_pcharge | OBAtom | protected
_residue | OBAtom | protected
_spinmultiplicity | OBAtom | protected
_type | OBAtom | protected
_v | OBAtom | mutable protected
_vbond | OBAtom | protected
_vdata | OBBase | protected
AddBond(OBBond *bond) | OBAtom | inline
AddResidue(OBResidue *res) | OBAtom | inline
AverageBondAngle() | OBAtom |
BeginBond(OBBondIterator &i) | OBAtom |
BeginBonds() | OBAtom | inline
BeginData() | OBBase | inline
BeginNbrAtom(OBBondIterator &i) | OBAtom |
CastAndClear(bool clear=true) | OBBase | inline
ClassDescription() | OBBase | inline static
Clear() | OBAtom | virtual
ClearBond() | OBAtom | inline
ClearCoordPtr() | OBAtom | inline
CloneData(OBGenericData *d) | OBBase |
CountBondsOfOrder(unsigned int bo) | OBAtom |
CountFreeOxygens() const | OBAtom |
CountFreeSulfurs() const | OBAtom |
CountRingBonds() const | OBAtom |
DataSize() const | OBBase | inline
DeleteBond(OBBond *bond) | OBAtom |
DeleteData(unsigned int type) | OBBase |
DeleteData(OBGenericData *) | OBBase |
DeleteData(std::vector< OBGenericData * > &) | OBBase |
DeleteData(const std::string &s) | OBBase |
DeleteResidue() | OBAtom | inline
DoTransformations(const std::map< std::string, std::string > *, OBConversion *) | OBBase | inline virtual
Duplicate(OBAtom *) | OBAtom |
EndBonds() | OBAtom | inline
EndData() | OBBase | inline
ExplicitHydrogenCount(bool ExcludeIsotopes=false) const | OBAtom |
GetAllData(const unsigned int type) | OBBase |
GetAngle(int b, int c) | OBAtom |
GetAngle(OBAtom *b, OBAtom *c) | OBAtom |
GetAtomicMass() const | OBAtom |
GetAtomicNum() const | OBAtom | inline
GetBond(OBAtom *) | OBAtom |
GetCoordinate() | OBAtom | inline
GetCoordinateIdx() const | OBAtom | inline
GetData(const unsigned int type) | OBBase |
GetData(const std::string &) | OBBase |
GetData(const char *) | OBBase |
GetData() | OBBase | inline
GetData(DataOrigin source) | OBBase |
GetDistance(int index) | OBAtom |
GetDistance(OBAtom *) | OBAtom |
GetDistance(vector3 *v) | OBAtom |
GetExactMass() const | OBAtom |
GetExplicitDegree() const | OBAtom | inline
GetExplicitValence() const | OBAtom |
GetFlag() const | OBAtom | inline protected
GetFormalCharge() const | OBAtom | inline
GetHeteroDegree() const | OBAtom |
GetHvyDegree() const | OBAtom |
GetHyb() const | OBAtom |
GetId() const | OBAtom | inline
GetIdx() const | OBAtom | inline
GetImplicitHCount() const | OBAtom | inline
GetIndex() const | OBAtom | inline
GetIsotope() const | OBAtom | inline
GetNewBondVector(vector3 &v, double length) | OBAtom |
GetParent() | OBAtom | inline
GetPartialCharge() | OBAtom |
GetResidue() | OBAtom |
GetSpinMultiplicity() const | OBAtom | inline
GetTitle(bool replaceNewlines=true) const | OBBase | inline virtual
GetTotalDegree() const | OBAtom | inline
GetTotalValence() const | OBAtom |
GetType() | OBAtom |
GetVector() | OBAtom |
GetVector() const | OBAtom |
GetX() const | OBAtom | inline
GetY() const | OBAtom | inline
GetZ() const | OBAtom | inline
HasAlphaBetaUnsat(bool includePandS=true) | OBAtom |
HasAromaticBond() | OBAtom | inline
HasBondOfOrder(unsigned int bo) | OBAtom |
HasData(const std::string &) | OBBase |
HasData(const char *) | OBBase |
HasData(const unsigned int type) | OBBase |
HasDoubleBond() | OBAtom | inline
HasFlag(int flag) | OBAtom | inline protected
HasNonSingleBond() | OBAtom |
HasResidue() | OBAtom | inline
HasSingleBond() | OBAtom | inline
HighestBondOrder() | OBAtom |
HtoMethyl() | OBAtom |
InsertBond(OBBondIterator &i, OBBond *bond) | OBAtom | inline
IsAmideNitrogen() | OBAtom |
IsAromatic() const | OBAtom |
IsAromaticNOxide() | OBAtom |
IsAxial() | OBAtom |
IsCarboxylOxygen() | OBAtom |
IsChiral() | OBAtom |
IsConnected(OBAtom *) | OBAtom |
IsElement(const unsigned int e) const | OBAtom | inline
IsHbondAcceptor() | OBAtom |
IsHbondAcceptorSimple() | OBAtom |
IsHbondDonor() | OBAtom |
IsHbondDonorH() | OBAtom |
IsHetAtom() | OBAtom | inline
IsHeteroatom() | OBAtom |
IsInRing() const | OBAtom |
IsInRingSize(int) const | OBAtom |
IsMetal() | OBAtom |
IsNitroOxygen() | OBAtom |
IsNonPolarHydrogen() | OBAtom |
IsOneFour(OBAtom *) | OBAtom |
IsOneThree(OBAtom *) | OBAtom |
IsPeriodic() const | OBAtom |
IsPhosphateOxygen() | OBAtom |
IsPolarHydrogen() | OBAtom |
IsSulfateOxygen() | OBAtom |
LewisAcidBaseCounts() const | OBAtom |
MatchesSMARTS(const char *) | OBAtom |
MemberOfRingCount() const | OBAtom |
MemberOfRingSize() const | OBAtom |
NewResidue() | OBAtom | inline
NextBond(OBBondIterator &i) | OBAtom |
NextNbrAtom(OBBondIterator &i) | OBAtom |
OBAtom() | OBAtom |
operator=(OBAtom &) | OBAtom |
operator==(const OBAtom *other) const | OBAtom | inline
SetAromatic(bool value=true) | OBAtom | inline
SetAtomicNum(int atomicnum) | OBAtom | inline
SetCoordPtr(double **c) | OBAtom | inline
SetData(OBGenericData *d) | OBBase | inline
SetFlag(int flag) | OBAtom | inline protected
SetFormalCharge(int fcharge) | OBAtom | inline
SetHyb(int hyb) | OBAtom | inline
SetHybAndGeom(int) | OBAtom |
SetId(unsigned long id) | OBAtom | inline
SetIdx(int idx) | OBAtom | inline
SetImplicitHCount(unsigned int val) | OBAtom | inline
SetInRing(bool value=true) | OBAtom | inline
SetIsotope(unsigned int iso) | OBAtom |
SetParent(OBMol *ptr) | OBAtom | inline
SetPartialCharge(double pcharge) | OBAtom | inline
SetResidue(OBResidue *res) | OBAtom | inline
SetSpinMultiplicity(short spin) | OBAtom | inline
SetTitle(const char *) | OBBase | inline virtual
SetType(const char *type) | OBAtom |
SetType(const std::string &type) | OBAtom |
SetVector(const vector3 &v) | OBAtom |
SetVector(const double x, const double y, const double z) | OBAtom |
SetVector() | OBAtom |
SmallestBondAngle() | OBAtom |
StereoFlag enum name | OBAtom |
UnsetFlag(int flag) | OBAtom | inline protected
Visit | OBAtom |
x() const | OBAtom | inline
y() const | OBAtom | inline
z() const | OBAtom | inline
~OBAtom() | OBAtom | virtual
~OBBase() | OBBase | inline virtual