addAtom() | CDPL::Chem::BasicMolecule | virtual |
addBond(std::size_t atom1_idx, std::size_t atom2_idx) | CDPL::Chem::BasicMolecule | virtual |
addProperties(const PropertyContainer &cntnr) | CDPL::Base::PropertyContainer | |
append(const BasicMolecule &mol) | CDPL::Chem::BasicMolecule | |
append(const Molecule &mol) | CDPL::Chem::BasicMolecule | virtual |
append(const MolecularGraph &molgraph) | CDPL::Chem::BasicMolecule | virtual |
AtomIterator typedef | CDPL::Chem::BasicMolecule | |
BasicMolecule() | CDPL::Chem::BasicMolecule | |
BasicMolecule(const BasicMolecule &mol) | CDPL::Chem::BasicMolecule | |
BasicMolecule(const Molecule &mol) | CDPL::Chem::BasicMolecule | |
BasicMolecule(const MolecularGraph &molgraph) | CDPL::Chem::BasicMolecule | explicit |
CDPL::begin() const | CDPL::Chem::AtomContainer | |
CDPL::begin() | CDPL::Chem::AtomContainer | |
CDPL::Chem::BondContainer::begin() const | CDPL::Chem::BondContainer | |
CDPL::Chem::BondContainer::begin() | CDPL::Chem::BondContainer | |
CDPL::Base::PropertyContainer::begin() const | CDPL::Base::PropertyContainer | |
BondIterator typedef | CDPL::Chem::BasicMolecule | |
clear() | CDPL::Chem::BasicMolecule | virtual |
clearProperties() | CDPL::Base::PropertyContainer | |
clone() const | CDPL::Chem::BasicMolecule | virtual |
ConstAtomIterator typedef | CDPL::Chem::BasicMolecule | |
ConstBondIterator typedef | CDPL::Chem::BasicMolecule | |
ConstEntityIterator typedef | CDPL::Chem::Entity3DContainer | |
ConstPropertyIterator typedef | CDPL::Base::PropertyContainer | |
containsAtom(const Atom &atom) const | CDPL::Chem::BasicMolecule | virtual |
containsBond(const Bond &bond) const | CDPL::Chem::BasicMolecule | virtual |
copy(const BasicMolecule &mol) | CDPL::Chem::BasicMolecule | |
copy(const Molecule &mol) | CDPL::Chem::BasicMolecule | virtual |
copy(const MolecularGraph &molgraph) | CDPL::Chem::BasicMolecule | virtual |
CopyPostprocessingFunction typedef | CDPL::Chem::Molecule | |
copyProperties(const PropertyContainer &cntnr) | CDPL::Base::PropertyContainer | |
CDPL::end() const | CDPL::Chem::AtomContainer | |
CDPL::end() | CDPL::Chem::AtomContainer | |
CDPL::Chem::BondContainer::end() const | CDPL::Chem::BondContainer | |
CDPL::Chem::BondContainer::end() | CDPL::Chem::BondContainer | |
CDPL::Base::PropertyContainer::end() const | CDPL::Base::PropertyContainer | |
EntityIterator typedef | CDPL::Chem::Entity3DContainer | |
getAtom(std::size_t idx) const | CDPL::Chem::BasicMolecule | virtual |
getAtom(std::size_t idx) | CDPL::Chem::BasicMolecule | virtual |
getAtomIndex(const Atom &atom) const | CDPL::Chem::BasicMolecule | virtual |
getAtoms() const | CDPL::Chem::AtomContainer | inline |
getAtoms() | CDPL::Chem::AtomContainer | inline |
getAtomsBegin() const | CDPL::Chem::BasicMolecule | |
getAtomsBegin() | CDPL::Chem::BasicMolecule | |
getAtomsEnd() const | CDPL::Chem::BasicMolecule | |
getAtomsEnd() | CDPL::Chem::BasicMolecule | |
getBond(std::size_t idx) const | CDPL::Chem::BasicMolecule | virtual |
getBond(std::size_t idx) | CDPL::Chem::BasicMolecule | virtual |
getBondIndex(const Bond &bond) const | CDPL::Chem::BasicMolecule | virtual |
getBonds() const | CDPL::Chem::BondContainer | inline |
getBonds() | CDPL::Chem::BondContainer | inline |
getBondsBegin() const | CDPL::Chem::BasicMolecule | |
getBondsBegin() | CDPL::Chem::BasicMolecule | |
getBondsEnd() const | CDPL::Chem::BasicMolecule | |
getBondsEnd() | CDPL::Chem::BasicMolecule | |
getEntities() const | CDPL::Chem::Entity3DContainer | inline |
getEntities() | CDPL::Chem::Entity3DContainer | inline |
getEntitiesBegin() const | CDPL::Chem::Entity3DContainer | |
getEntitiesBegin() | CDPL::Chem::Entity3DContainer | |
getEntitiesEnd() const | CDPL::Chem::Entity3DContainer | |
getEntitiesEnd() | CDPL::Chem::Entity3DContainer | |
getEntity(std::size_t idx) const | CDPL::Chem::AtomContainer | virtual |
getEntity(std::size_t idx) | CDPL::Chem::AtomContainer | virtual |
getNumAtoms() const | CDPL::Chem::BasicMolecule | virtual |
getNumBonds() const | CDPL::Chem::BasicMolecule | virtual |
getNumEntities() const | CDPL::Chem::AtomContainer | virtual |
getNumProperties() const | CDPL::Base::PropertyContainer | |
getProperties() const | CDPL::Base::PropertyContainer | inline |
getPropertiesBegin() const | CDPL::Base::PropertyContainer | |
getPropertiesEnd() const | CDPL::Base::PropertyContainer | |
getProperty(const LookupKey &key) const | CDPL::Base::PropertyContainer | |
getProperty(const LookupKey &key, bool throw_=false) const | CDPL::Base::PropertyContainer | inline |
getPropertyOrDefault(const LookupKey &key, const T &def_val) const | CDPL::Base::PropertyContainer | |
invokeCopyPostprocessingFunctions(const MolecularGraph &src_molgraph) | CDPL::Chem::Molecule | protected |
isPropertySet(const LookupKey &key) const | CDPL::Base::PropertyContainer | inline |
operator+=(const BasicMolecule &mol) | CDPL::Chem::BasicMolecule | |
operator+=(const Molecule &mol) | CDPL::Chem::BasicMolecule | |
operator+=(const MolecularGraph &molgraph) | CDPL::Chem::BasicMolecule | |
CDPL::Chem::Molecule::operator+=(const Molecule &mol) | CDPL::Chem::Molecule | |
CDPL::Chem::Molecule::operator+=(const MolecularGraph &molgraph) | CDPL::Chem::Molecule | |
operator-=(const MolecularGraph &molgraph) | CDPL::Chem::Molecule | |
operator=(const BasicMolecule &mol) | CDPL::Chem::BasicMolecule | |
operator=(const Molecule &mol) | CDPL::Chem::BasicMolecule | |
operator=(const MolecularGraph &molgraph) | CDPL::Chem::BasicMolecule | |
CDPL::Chem::Molecule::operator=(const Molecule &mol) | CDPL::Chem::Molecule | |
CDPL::Chem::Molecule::operator=(const MolecularGraph &molgraph) | CDPL::Chem::Molecule | |
CDPL::Chem::AtomContainer::operator=(const AtomContainer &cntnr) | CDPL::Chem::AtomContainer | protected |
CDPL::Chem::Entity3DContainer::operator=(const Entity3DContainer &cntnr) | CDPL::Chem::Entity3DContainer | protected |
CDPL::Chem::BondContainer::operator=(const BondContainer &cntnr) | CDPL::Chem::BondContainer | protected |
CDPL::Base::PropertyContainer::operator=(const PropertyContainer &cntnr) | CDPL::Base::PropertyContainer | protected |
orderAtoms(const AtomCompareFunction &func) | CDPL::Chem::BasicMolecule | virtual |
orderBonds(const BondCompareFunction &func) | CDPL::Chem::BasicMolecule | virtual |
PropertyContainer() | CDPL::Base::PropertyContainer | inlineprotected |
PropertyContainer(const PropertyContainer &cntnr) | CDPL::Base::PropertyContainer | protected |
PropertyEntry typedef | CDPL::Base::PropertyContainer | |
registerCopyPostprocessingFunction(const CopyPostprocessingFunction &func) | CDPL::Chem::Molecule | static |
remove(const MolecularGraph &molgraph) | CDPL::Chem::BasicMolecule | virtual |
removeAtom(std::size_t idx) | CDPL::Chem::BasicMolecule | virtual |
removeAtom(const AtomIterator &it) | CDPL::Chem::BasicMolecule | |
removeBond(std::size_t idx) | CDPL::Chem::BasicMolecule | virtual |
removeBond(const BondIterator &it) | CDPL::Chem::BasicMolecule | |
CDPL::Chem::Molecule::removeBond(const BondIterator &it) | CDPL::Chem::Molecule | |
removeProperty(const LookupKey &key) | CDPL::Base::PropertyContainer | |
reserveMemoryForAtoms(std::size_t num_atoms) | CDPL::Chem::BasicMolecule | virtual |
reserveMemoryForBonds(std::size_t num_bonds) | CDPL::Chem::BasicMolecule | virtual |
setProperty(const LookupKey &key, T &&val) | CDPL::Base::PropertyContainer | |
SharedPointer typedef | CDPL::Chem::BasicMolecule | |
swap(PropertyContainer &cntnr) | CDPL::Base::PropertyContainer | |
~AtomContainer() | CDPL::Chem::AtomContainer | inlineprotectedvirtual |
~BasicMolecule() | CDPL::Chem::BasicMolecule | |
~BondContainer() | CDPL::Chem::BondContainer | inlineprotectedvirtual |
~Entity3DContainer() | CDPL::Chem::Entity3DContainer | inlineprotectedvirtual |
~MolecularGraph() | CDPL::Chem::MolecularGraph | inlinevirtual |
~Molecule() | CDPL::Chem::Molecule | inlinevirtual |
~PropertyContainer() | CDPL::Base::PropertyContainer | protectedvirtual |