RDCode: Member List

# 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(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 |
clearComputedProps() const | RDKit::Atom | `[inline]`
clearDativeFlag() | RDKit::Atom | `[inline]`
clearProp(const char *key) const | RDKit::Atom | `[inline]`
clearProp(const std::string key) const | RDKit::Atom | `[inline]`
copy() const | RDKit::Atom | `[virtual]`
d_atomicNum | RDKit::Atom | `[protected]`
d_chiralTag | RDKit::Atom | `[protected]`
d_dativeFlag | 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_mass | 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_props | RDKit::Atom | `[protected]`
expandQuery(QUERYATOM_QUERY *what, Queries::CompositeQueryType how=Queries::COMPOSITE_AND, bool maintainOrder=true) | RDKit::Atom | `[virtual]`
getAtomicNum() const | RDKit::Atom | `[inline]`
getChiralTag() const | RDKit::Atom | `[inline]`
getDativeFlag() const | RDKit::Atom | `[inline]`
getDegree() const | RDKit::Atom |
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]`
getMass() 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 char *key, T &res) const | RDKit::Atom | `[inline]`
getProp(const std::string key, T &res) const | RDKit::Atom | `[inline]`
getPropList() const | RDKit::Atom | `[inline]`
getQuery() const | RDKit::Atom | `[virtual]`
getSymbol() const | RDKit::Atom |
getTotalDegree() const | RDKit::Atom |
getTotalNumHs(bool includeNeighbors=false) const | RDKit::Atom |
hasDativeFlag(int what) const | RDKit::Atom | `[inline]`
hasProp(const char *key) const | RDKit::Atom | `[inline]`
hasProp(const std::string key) const | RDKit::Atom | `[inline]`
hasQuery() const | RDKit::Atom | `[inline, virtual]`
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 | `[virtual]`
MolPickler class | RDKit::Atom | `[friend]`
OTHER enum value | RDKit::Atom |
QUERYATOM_QUERY typedef | RDKit::Atom |
ROMol class | RDKit::Atom | `[friend]`
RWMol class | RDKit::Atom | `[friend]`
S enum value | RDKit::Atom |
setAtomicNum(int newNum) | RDKit::Atom | `[inline]`
setChiralTag(ChiralType what) | RDKit::Atom | `[inline]`
setDativeFlag(int what) | RDKit::Atom | `[inline]`
setFormalCharge(int what) | RDKit::Atom | `[inline]`
setHybridization(HybridizationType what) | RDKit::Atom | `[inline]`
setIdx(unsigned int index) | RDKit::Atom | `[inline]`
setIsAromatic(bool what) | RDKit::Atom | `[inline]`
setMass(double what) | 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 | `[inline, protected]`
setProp(const char *key, T val, bool computed=false) const | RDKit::Atom | `[inline]`
setProp(const std::string key, T val, bool computed=false) const | RDKit::Atom | `[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 |
~Atom() | RDKit::Atom | `[virtual]`