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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]`
_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 > *, OBConversion *) | 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 |
GetId() const | OBAtom | `[inline]`
GetIdx() const | OBAtom | `[inline]`
GetImplicitValence() const | OBAtom |
GetIndex() const | OBAtom | `[inline]`
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]`
GetTitle(bool replaceNewlines=true) const | OBBase | `[inline, virtual]`
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]`
IsHydrogen() const | 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 |
operator==(const OBAtom *other) const | OBAtom | `[inline]`
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 |
SetId(unsigned long id) | OBAtom | `[inline]`
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]`
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 |
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]`

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