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]
_idx	OBAtom	[protected]
_impval	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
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]
Visit	OBAtom
x() const	OBAtom	[inline]
y() const	OBAtom	[inline]
z() const	OBAtom	[inline]
~OBAtom()	OBAtom	[virtual]
~OBBase()	OBBase	[inline, virtual]