RDKit::Atom Member List

This is the complete list of members for RDKit::Atom, including all inherited members.

Atom()	RDKit::Atom
Atom(unsigned int num)	RDKit::Atom	explicit
Atom(const std::string &what)	RDKit::Atom	explicit
Atom(const Atom &other)	RDKit::Atom
ATOM_SPTR typedef	RDKit::Atom
C_ATOM_SPTR typedef	RDKit::Atom
calcExplicitValence(bool strict=true)	RDKit::Atom
calcImplicitValence(bool strict=true)	RDKit::Atom
CHI_OTHER enum value	RDKit::Atom
CHI_TETRAHEDRAL_CCW enum value	RDKit::Atom
CHI_TETRAHEDRAL_CW enum value	RDKit::Atom
CHI_UNSPECIFIED enum value	RDKit::Atom
ChiralType enum name	RDKit::Atom
clear()	RDKit::RDProps	inline
clearComputedProps() const	RDKit::RDProps	inline
clearProp(const std::string &key) const	RDKit::RDProps	inline
copy() const	RDKit::Atom	virtual
d_atomicNum	RDKit::Atom	protected
d_chiralTag	RDKit::Atom	protected
d_explicitValence	RDKit::Atom	protected
d_formalCharge	RDKit::Atom	protected
d_hybrid	RDKit::Atom	protected
d_implicitValence	RDKit::Atom	protected
d_index	RDKit::Atom	protected
d_isotope	RDKit::Atom	protected
d_numExplicitHs	RDKit::Atom	protected
d_numRadicalElectrons	RDKit::Atom	protected
df_isAromatic	RDKit::Atom	protected
df_noImplicit	RDKit::Atom	protected
dp_mol	RDKit::Atom	protected
dp_monomerInfo	RDKit::Atom	protected
dp_props	RDKit::RDProps	mutableprotected
expandQuery(QUERYATOM_QUERY *what, Queries::CompositeQueryType how=Queries::COMPOSITE_AND, bool maintainOrder=true)	RDKit::Atom	virtual
getAtomicNum() const	RDKit::Atom	inline
getAtomMapNum() const	RDKit::Atom	inline
getChiralTag() const	RDKit::Atom	inline
getDegree() const	RDKit::Atom
getDict() const	RDKit::RDProps	inline
getDict()	RDKit::RDProps	inline
getExplicitValence() const	RDKit::Atom
getFormalCharge() const	RDKit::Atom	inline
getHybridization() const	RDKit::Atom	inline
getIdx() const	RDKit::Atom	inline
getImplicitValence() const	RDKit::Atom
getIsAromatic() const	RDKit::Atom	inline
getIsotope() const	RDKit::Atom	inline
getMass() const	RDKit::Atom
getMonomerInfo()	RDKit::Atom	inline
getMonomerInfo() const	RDKit::Atom	inline
getNoImplicit() const	RDKit::Atom	inline
getNumExplicitHs() const	RDKit::Atom	inline
getNumImplicitHs() const	RDKit::Atom
getNumRadicalElectrons() const	RDKit::Atom	inline
getOwningMol() const	RDKit::Atom	inline
getPerturbationOrder(INT_LIST probe) const	RDKit::Atom
getProp(const std::string &key, T &res) const	RDKit::RDProps	inline
getProp(const std::string &key) const	RDKit::RDProps	inline
getPropIfPresent(const std::string &key, T &res) const	RDKit::RDProps	inline
getPropList(bool includePrivate=true, bool includeComputed=true) const	RDKit::RDProps	inline
getQuery() const	RDKit::Atom	virtual
getSymbol() const	RDKit::Atom
getTotalDegree() const	RDKit::Atom
getTotalNumHs(bool includeNeighbors=false) const	RDKit::Atom
getTotalValence() const	RDKit::Atom
hasProp(const std::string &key) const	RDKit::RDProps	inline
hasQuery() const	RDKit::Atom	inlinevirtual
HybridizationType enum name	RDKit::Atom
initAtom()	RDKit::Atom	protected
invertChirality()	RDKit::Atom
Match(Atom const *what) const	RDKit::Atom	virtual
Match(const ATOM_SPTR &what) const	RDKit::Atom	inlinevirtual
MolPickler class	RDKit::Atom	friend
needsUpdatePropertyCache() const	RDKit::Atom
operator=(const RDProps &rhs)	RDKit::RDProps	inline
OTHER enum value	RDKit::Atom
QUERYATOM_QUERY typedef	RDKit::Atom
RDProps()	RDKit::RDProps	inline
RDProps(const RDProps &rhs)	RDKit::RDProps	inline
ROMol class	RDKit::Atom	friend
RWMol class	RDKit::Atom	friend
S enum value	RDKit::Atom
setAtomicNum(int newNum)	RDKit::Atom	inline
setAtomMapNum(int mapno, bool strict=true)	RDKit::Atom	inline
setChiralTag(ChiralType what)	RDKit::Atom	inline
setFormalCharge(int what)	RDKit::Atom	inline
setHybridization(HybridizationType what)	RDKit::Atom	inline
setIdx(unsigned int index)	RDKit::Atom	inline
setIdx(const U index)	RDKit::Atom	inline
setIsAromatic(bool what)	RDKit::Atom	inline
setIsotope(unsigned int what)	RDKit::Atom
setMonomerInfo(AtomMonomerInfo *info)	RDKit::Atom	inline
setNoImplicit(bool what)	RDKit::Atom	inline
setNumExplicitHs(unsigned int what)	RDKit::Atom	inline
setNumRadicalElectrons(unsigned int num)	RDKit::Atom	inline
setOwningMol(ROMol *other)	RDKit::Atom	protected
setOwningMol(ROMol &other)	RDKit::Atom	inlineprotected
setProp(const std::string &key, T val, bool computed=false) const	RDKit::RDProps	inline
setQuery(QUERYATOM_QUERY *what)	RDKit::Atom	virtual
SP enum value	RDKit::Atom
SP2 enum value	RDKit::Atom
SP3 enum value	RDKit::Atom
SP3D enum value	RDKit::Atom
SP3D2 enum value	RDKit::Atom
UNSPECIFIED enum value	RDKit::Atom
updatePropertyCache(bool strict=true)	RDKit::Atom
updateProps(const RDProps &source, bool preserveExisting=false)	RDKit::RDProps	inline
~Atom()	RDKit::Atom	virtual