RDKit: Member List

| RDKit Open-source cheminformatics and machine learning.

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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(Atom &&other)=default | RDKit::Atom |
calcExplicitValence(bool strict=true) | RDKit::Atom |
calcImplicitValence(bool strict=true) | RDKit::Atom |
calculateImplicitValence(const Atom &, bool, bool) | RDKit::Atom | friend
CHI_ALLENE enum value | RDKit::Atom |
CHI_OCTAHEDRAL enum value | RDKit::Atom |
CHI_OTHER enum value | RDKit::Atom |
CHI_SQUAREPLANAR enum value | RDKit::Atom |
CHI_TETRAHEDRAL enum value | RDKit::Atom |
CHI_TETRAHEDRAL_CCW enum value | RDKit::Atom |
CHI_TETRAHEDRAL_CW enum value | RDKit::Atom |
CHI_TRIGONALBIPYRAMIDAL 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
clearPropertyCache() | RDKit::Atom |
copy() const | RDKit::Atom | virtual
d_atomicNum | RDKit::Atom | protected
d_chiralTag | RDKit::Atom | protected
d_explicitValence | RDKit::Atom | protected
d_flags | 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
d_props | RDKit::RDProps | mutableprotected
df_isAromatic | RDKit::Atom | protected
df_noImplicit | RDKit::Atom | protected
dp_mol | RDKit::Atom | protected
dp_monomerInfo | RDKit::Atom | protected
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 |
getFlags() const | RDKit::Atom | inline
getFlags() | RDKit::Atom | inline
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(const 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
getQueryType() const | RDKit::Atom | inlinevirtual
getSymbol() const | RDKit::Atom |
getTotalDegree() const | RDKit::Atom |
getTotalNumHs(bool includeNeighbors=false) const | RDKit::Atom |
getTotalValence() const | RDKit::Atom |
getValence(ValenceType which) const | RDKit::Atom |
hasOwningMol() const | RDKit::Atom | inline
hasProp(const std::string &key) const | RDKit::RDProps | inline
hasQuery() const | RDKit::Atom | inlinevirtual
hasValenceViolation() const | RDKit::Atom |
HybridizationType enum name | RDKit::Atom |
initAtom() | RDKit::Atom | protected
initFromOther(const Atom &other) | RDKit::Atom | protected
invertChirality() | RDKit::Atom |
Match(Atom const *what) const | RDKit::Atom | virtual
MolPickler class | RDKit::Atom | friend
needsUpdatePropertyCache() const | RDKit::Atom |
NOATOM | RDKit::Atom | inlinestatic
operator<<)(std::ostream &target, const ::RDKit::Atom &at) | RDKit::Atom | friend
operator=(const Atom &other) | RDKit::Atom |
operator=(Atom &&other)=default | RDKit::Atom |
RDKit::RDProps::operator=(const RDProps &rhs) | RDKit::RDProps | inline
RDKit::RDProps::operator=(RDProps &&rhs) noexcept=default | RDKit::RDProps |
OTHER enum value | RDKit::Atom |
QUERYATOM_QUERY typedef | RDKit::Atom |
RDProps() | RDKit::RDProps | inline
RDProps(const RDProps &rhs) | RDKit::RDProps | inline
RDProps(RDProps &&o) noexcept=default | RDKit::RDProps |
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
setFlags(std::uint64_t flags) | 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 |
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 |
SP2D 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
ValenceType enum name | RDKit::Atom |
~Atom() | RDKit::Atom | virtual