_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 |