OBAtom Member List

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

_cOBAtom [protected]
_cidxOBAtom [protected]
_eleOBAtom [protected]
_fchargeOBAtom [protected]
_flagsOBAtom [protected]
_hybOBAtom [protected]
_idxOBAtom [protected]
_impvalOBAtom [protected]
_isotopeOBAtom [protected]
_parentOBAtom [protected]
_pchargeOBAtom [protected]
_residueOBAtom [protected]
_spinmultiplicityOBAtom [protected]
_typeOBAtom [protected]
_vOBAtom [mutable, protected]
_vbondOBAtom [protected]
_vdataOBBase [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
BOSum() const 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
CountRingBonds() const OBAtom
DataSize() const OBBase [inline]
DecrementImplicitValence()OBAtom [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 > *)OBBase [inline, virtual]
Duplicate(OBAtom *)OBAtom
EndBonds()OBAtom [inline]
EndData()OBBase [inline]
ExplicitHydrogenCount(bool ExcludeIsotopes=false) const OBAtom
ForceImplH()OBAtom [inline]
ForceNoH()OBAtom [inline]
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
GetCIdx() const OBAtom [inline]
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
GetExactMass() const OBAtom
GetFlag() const OBAtom [inline, protected]
GetFormalCharge() const OBAtom [inline]
GetHeteroValence() const OBAtom
GetHvyValence() const OBAtom
GetHyb() const OBAtom
GetIdx() const OBAtom [inline]
GetImplicitValence() const OBAtom
GetIsotope() const OBAtom [inline]
GetNewBondVector(vector3 &v, double length)OBAtom
GetNextAtom()OBAtom
GetParent()OBAtom [inline]
GetPartialCharge()OBAtom
GetResidue()OBAtom
GetResidue(bool perception)OBAtom
GetSpinMultiplicity() const OBAtom [inline]
GetType()OBAtom
GetValence() const OBAtom [inline]
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
HasChiralitySpecified()OBAtom [inline]
HasChiralVolume()OBAtom [inline]
HasData(const std::string &)OBBase
HasData(const char *)OBBase
HasData(const unsigned int type)OBBase
HasDoubleBond()OBAtom [inline]
HasFlag(int flag)OBAtom [inline, protected]
HasImplHForced()OBAtom [inline]
HasNoHForced()OBAtom [inline]
HasNonSingleBond()OBAtom
HasResidue()OBAtom [inline]
HasSingleBond()OBAtom [inline]
HtoMethyl()OBAtom
ImplicitHydrogenCount() const OBAtom
IncrementImplicitValence()OBAtom [inline]
InsertBond(OBBondIterator &i, OBBond *bond)OBAtom [inline]
IsAmideNitrogen()OBAtom
IsAntiClockwise()OBAtom [inline]
IsAromatic() const OBAtom
IsAromaticNOxide()OBAtom
IsAxial()OBAtom
IsCarbon()OBAtom [inline]
IsCarboxylOxygen()OBAtom
IsChiral()OBAtom
IsClockwise()OBAtom [inline]
IsConnected(OBAtom *)OBAtom
IsHbondAcceptor()OBAtom
IsHbondDonor()OBAtom
IsHbondDonorH()OBAtom
IsHeteroatom()OBAtom
IsHydrogen()OBAtom [inline]
IsInRing() const OBAtom
IsInRingSize(int) const OBAtom
IsNegativeStereo()OBAtom [inline]
IsNitrogen()OBAtom [inline]
IsNitroOxygen()OBAtom
IsNonPolarHydrogen()OBAtom
IsNotCorH()OBAtom
IsOneFour(OBAtom *)OBAtom
IsOneThree(OBAtom *)OBAtom
IsOxygen()OBAtom [inline]
IsPhosphateOxygen()OBAtom
IsPhosphorus()OBAtom [inline]
IsPolarHydrogen()OBAtom
IsPositiveStereo()OBAtom [inline]
IsSulfateOxygen()OBAtom
IsSulfur()OBAtom [inline]
KBOSum() 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
SetAntiClockwiseStereo()OBAtom [inline]
SetAromatic()OBAtom [inline]
SetAtomicNum(int atomicnum)OBAtom [inline]
SetChiral()OBAtom [inline]
SetClockwiseStereo()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
SetIdx(int idx)OBAtom [inline]
SetImplicitValence(int val)OBAtom [inline]
SetInRing()OBAtom [inline]
SetIsotope(unsigned int iso)OBAtom
SetNegativeStereo()OBAtom [inline]
SetParent(OBMol *ptr)OBAtom [inline]
SetPartialCharge(double pcharge)OBAtom [inline]
SetPositiveStereo()OBAtom [inline]
SetResidue(OBResidue *res)OBAtom [inline]
SetSpinMultiplicity(short spin)OBAtom [inline]
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
UnsetAromatic()OBAtom [inline]
UnsetStereo()OBAtom [inline]
VisitOBAtom
x() const OBAtom [inline]
y() const OBAtom [inline]
z() const OBAtom [inline]
~OBAtom()OBAtom [virtual]
~OBBase()OBBase [inline, virtual]