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	mutableprotected
_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	inlinestatic
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	inlinevirtual
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	inlineprotected
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	inlinevirtual
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	inlineprotected
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
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
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	inlineprotected
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	inlinevirtual
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	inlineprotected
Visit	OBAtom
x() const	OBAtom	inline
y() const	OBAtom	inline
z() const	OBAtom	inline
~OBAtom()	OBAtom	virtual
~OBBase()	OBBase	inlinevirtual