| 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 | |
| clearComputedProps() const | 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_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::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 |
| 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 |
| 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 char *key, T &res) const | RDKit::Atom | inline |
| getProp(const std::string &key, T &res) const | RDKit::Atom | inline |
| getProp(const char *key) const | RDKit::Atom | inline |
| getProp(const std::string &key) const | RDKit::Atom | inline |
| getPropIfPresent(const char *key, T &res) const | RDKit::Atom | inline |
| getPropIfPresent(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 | |
| getTotalValence() const | RDKit::Atom | |
| hasProp(const char *key) const | RDKit::Atom | inline |
| hasProp(const std::string &key) const | RDKit::Atom | 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 | |
| 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 |
| 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 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 |
1.8.13