| addAtom(bool updateLabel=true) | RDKit::RWMol | |
| addBond(unsigned int beginAtomIdx, unsigned int endAtomIdx, Bond::BondType order=Bond::UNSPECIFIED) | RDKit::RWMol | |
| addBond(ATOM_SPTR beginAtom, ATOM_SPTR endAtom, Bond::BondType order=Bond::UNSPECIFIED) | RDKit::RWMol | |
| addBond(Atom *beginAtom, Atom *endAtom, Bond::BondType order=Bond::UNSPECIFIED) | RDKit::RWMol | |
| addConformer(Conformer *conf, bool assignId=false) | RDKit::ROMol | |
| ADJ_ITER typedef | RDKit::ROMol | |
| ADJ_ITER_PAIR typedef | RDKit::ROMol | |
| AromaticAtomIterator typedef | RDKit::ROMol | |
| ATOM_BOOKMARK_MAP typedef | RDKit::ROMol | |
| ATOM_ITER_PAIR typedef | RDKit::ROMol | |
| ATOM_PTR_LIST typedef | RDKit::ROMol | |
| ATOM_PTR_LIST_CI typedef | RDKit::ROMol | |
| ATOM_PTR_LIST_I typedef | RDKit::ROMol | |
| ATOM_PTR_VECT typedef | RDKit::ROMol | |
| ATOM_PTR_VECT_CI typedef | RDKit::ROMol | |
| ATOM_PTR_VECT_I typedef | RDKit::ROMol | |
| ATOM_SPTR_VECT typedef | RDKit::ROMol | |
| ATOM_SPTR_VECT_CI typedef | RDKit::ROMol | |
| ATOM_SPTR_VECT_I typedef | RDKit::ROMol | |
| AtomIterator typedef | RDKit::ROMol | |
| beginAromaticAtoms() | RDKit::ROMol | |
| beginAromaticAtoms() const | RDKit::ROMol | |
| beginAtoms() | RDKit::ROMol | |
| beginAtoms() const | RDKit::ROMol | |
| beginBonds() | RDKit::ROMol | |
| beginBonds() const | RDKit::ROMol | |
| beginConformers() | RDKit::ROMol | [inline] |
| beginConformers() const | RDKit::ROMol | [inline] |
| beginHeteros() | RDKit::ROMol | |
| beginHeteros() const | RDKit::ROMol | |
| beginQueryAtoms(QueryAtom const *query) | RDKit::ROMol | |
| beginQueryAtoms(QueryAtom const *) const | RDKit::ROMol | |
| BOND_BOOKMARK_MAP typedef | RDKit::ROMol | |
| BOND_ITER_PAIR typedef | RDKit::ROMol | |
| BOND_PTR_LIST typedef | RDKit::ROMol | |
| BOND_PTR_LIST_CI typedef | RDKit::ROMol | |
| BOND_PTR_LIST_I typedef | RDKit::ROMol | |
| BOND_PTR_VECT typedef | RDKit::ROMol | |
| BOND_PTR_VECT_CI typedef | RDKit::ROMol | |
| BOND_PTR_VECT_I typedef | RDKit::ROMol | |
| BOND_SPTR_VECT typedef | RDKit::ROMol | |
| BOND_SPTR_VECT_CI typedef | RDKit::ROMol | |
| BOND_SPTR_VECT_I typedef | RDKit::ROMol | |
| BondIterator typedef | RDKit::ROMol | |
| clearAllAtomBookmarks() | RDKit::ROMol | [inline] |
| clearAllBondBookmarks() | RDKit::ROMol | [inline] |
| clearAtomBookmark(const int mark) | RDKit::ROMol | |
| clearAtomBookmark(const int mark, const Atom *atom) | RDKit::ROMol | |
| clearAtomBookmark(const int mark, ATOM_SPTR atom) | RDKit::ROMol | [inline] |
| clearBondBookmark(int mark) | RDKit::ROMol | |
| clearBondBookmark(int mark, const Bond *bond) | RDKit::ROMol | |
| clearBondBookmark(int mark, BOND_SPTR bond) | RDKit::ROMol | [inline] |
| clearComputedProps(bool includeRings=true) const | RDKit::ROMol | |
| clearConformers() | RDKit::ROMol | [inline] |
| clearProp(const char *key) const | RDKit::ROMol | [inline] |
| clearProp(const std::string key) const | RDKit::ROMol | [inline] |
| CONF_SPTR_LIST typedef | RDKit::ROMol | |
| CONF_SPTR_LIST_CI typedef | RDKit::ROMol | |
| CONF_SPTR_LIST_I typedef | RDKit::ROMol | |
| ConformerIterator typedef | RDKit::ROMol | |
| CONFS_I_PAIR typedef | RDKit::ROMol | |
| ConstAromaticAtomIterator typedef | RDKit::ROMol | |
| ConstAtomIterator typedef | RDKit::ROMol | |
| ConstBondIterator typedef | RDKit::ROMol | |
| ConstConformerIterator typedef | RDKit::ROMol | |
| ConstHeteroatomIterator typedef | RDKit::ROMol | |
| ConstQueryAtomIterator typedef | RDKit::ROMol | |
| createPartialBond(unsigned int beginAtomIdx, Bond::BondType order=Bond::UNSPECIFIED) | RDKit::RWMol | |
| debugMol(std::ostream &str) const | RDKit::ROMol | |
| EDGE_ITER typedef | RDKit::ROMol | |
| endAromaticAtoms() | RDKit::ROMol | |
| endAromaticAtoms() const | RDKit::ROMol | |
| endAtoms() | RDKit::ROMol | |
| endAtoms() const | RDKit::ROMol | |
| endBonds() | RDKit::ROMol | |
| endBonds() const | RDKit::ROMol | |
| endConformers() | RDKit::ROMol | [inline] |
| endConformers() const | RDKit::ROMol | [inline] |
| endHeteros() | RDKit::ROMol | |
| endHeteros() const | RDKit::ROMol | |
| endQueryAtoms() | RDKit::ROMol | |
| endQueryAtoms() const | RDKit::ROMol | |
| finishPartialBond(unsigned int endAtomIdx, int bondBookmark, Bond::BondType order=Bond::UNSPECIFIED) | RDKit::RWMol | |
| getActiveAtom() | RDKit::RWMol | |
| getAllAtomsWithBookmark(int mark) | RDKit::ROMol | |
| getAllBondsWithBookmark(int mark) | RDKit::ROMol | |
| getAtomBonds(Atom const *at) const | RDKit::ROMol | |
| getAtomBookmarks() | RDKit::ROMol | [inline] |
| getAtomDegree(const Atom *at) const | RDKit::ROMol | |
| getAtomDegree(ATOM_SPTR at) const | RDKit::ROMol | |
| getAtomNeighbors(Atom const *at) const | RDKit::ROMol | |
| getAtomNeighbors(ATOM_SPTR at) const | RDKit::ROMol | |
| getAtomPMap() | RDKit::ROMol | |
| getAtomPMap() const | RDKit::ROMol | |
| getAtomWithBookmark(int mark) | RDKit::ROMol | |
| getAtomWithIdx(unsigned int idx) | RDKit::ROMol | |
| getAtomWithIdx(unsigned int idx) const | RDKit::ROMol | |
| getBondBetweenAtoms(unsigned int idx1, unsigned int idx2) | RDKit::ROMol | |
| getBondBetweenAtoms(unsigned int idx1, unsigned int idx2) const | RDKit::ROMol | |
| getBondBookmarks() | RDKit::ROMol | [inline] |
| getBondPMap() | RDKit::ROMol | |
| getBondPMap() const | RDKit::ROMol | |
| getBondWithBookmark(int mark) | RDKit::ROMol | |
| getBondWithIdx(unsigned int idx) | RDKit::ROMol | |
| getBondWithIdx(unsigned int idx) const | RDKit::ROMol | |
| getConformer(int id=-1) const | RDKit::ROMol | |
| getConformer(int id=-1) | RDKit::ROMol | |
| getEdges() | RDKit::ROMol | |
| getEdges() const | RDKit::ROMol | |
| getLastAtom() | RDKit::RWMol | [inline] |
| getNumAtoms(bool onlyHeavy=1) const | RDKit::ROMol | |
| getNumBonds(bool onlyHeavy=1) const | RDKit::ROMol | |
| getNumConformers() const | RDKit::ROMol | [inline] |
| getProp(const char *key, T &res) const | RDKit::ROMol | [inline] |
| getProp(const std::string key, T &res) const | RDKit::ROMol | [inline] |
| getPropList() const | RDKit::ROMol | [inline] |
| getRingInfo() const | RDKit::ROMol | [inline] |
| getTopology() const | RDKit::ROMol | [inline] |
| getVertices() | RDKit::ROMol | |
| getVertices() const | RDKit::ROMol | |
| GRAPH_EDGE_CONST_TYPE typedef | RDKit::ROMol | |
| GRAPH_EDGE_TYPE typedef | RDKit::ROMol | |
| GRAPH_MOL_ATOM_PMAP typedef | RDKit::ROMol | |
| GRAPH_MOL_BOND_PMAP typedef | RDKit::ROMol | |
| GRAPH_MOL_TRAITS typedef | RDKit::ROMol | |
| GRAPH_NODE_CONST_TYPE typedef | RDKit::ROMol | |
| GRAPH_NODE_TYPE typedef | RDKit::ROMol | |
| hasAtomBookmark(int mark) const | RDKit::ROMol | [inline] |
| hasBondBookmark(int mark) | RDKit::ROMol | [inline] |
| hasProp(const char *key) const | RDKit::ROMol | [inline] |
| hasProp(const std::string key) const | RDKit::ROMol | [inline] |
| HeteroatomIterator typedef | RDKit::ROMol | |
| insertMol(const ROMol &other) | RDKit::RWMol | |
| MolPickler class | RDKit::ROMol | [friend] |
| OBOND_ITER_PAIR typedef | RDKit::ROMol | |
| OEDGE_ITER typedef | RDKit::ROMol | |
| QueryAtomIterator typedef | RDKit::ROMol | |
| removeAtom(unsigned int idx) | RDKit::RWMol | |
| removeAtom(Atom *atom) | RDKit::RWMol | |
| removeBond(unsigned int beginAtomIdx, unsigned int endAtomIdx) | RDKit::RWMol | |
| removeConformer(unsigned int id) | RDKit::ROMol | |
| replaceAtom(unsigned int idx, Atom *atom, bool updateLabel=false) | RDKit::RWMol | |
| ROMol() | RDKit::ROMol | [inline] |
| ROMol(const ROMol &other, bool quickCopy=false) | RDKit::ROMol | [inline] |
| ROMol(const std::string &binStr) | RDKit::ROMol | |
| RWMol() | RDKit::RWMol | [inline] |
| RWMol(const ROMol &other, bool quickCopy=false) | RDKit::RWMol | [inline] |
| RDKit::ROMol::RWMol class | RDKit::ROMol | [friend] |
| setActiveAtom(Atom *atom) | RDKit::RWMol | |
| setActiveAtom(unsigned int idx) | RDKit::RWMol | |
| setAtomBookmark(ATOM_SPTR at, int mark) | RDKit::ROMol | [inline] |
| setAtomBookmark(Atom *at, int mark) | RDKit::ROMol | [inline] |
| setBondBookmark(BOND_SPTR bond, int mark) | RDKit::ROMol | [inline] |
| setBondBookmark(Bond *bond, int mark) | RDKit::ROMol | [inline] |
| setProp(const char *key, T val, bool computed=false) const | RDKit::ROMol | [inline] |
| setProp(const std::string key, T val, bool computed=false) const | RDKit::ROMol | [inline] |
| updatePropertyCache(bool strict=true) | RDKit::ROMol | |
| VERTEX_ITER typedef | RDKit::ROMol | |
| ~ROMol() | RDKit::ROMol | [inline, virtual] |
