Chemical Data Processing Library C++ API - Version 1.2.0
CDPL::Chem::Molecule Member List

This is the complete list of members for CDPL::Chem::Molecule, including all inherited members.

addAtom()=0CDPL::Chem::Moleculepure virtual
addBond(std::size_t atom1_idx, std::size_t atom2_idx)=0CDPL::Chem::Moleculepure virtual
addProperties(const PropertyContainer &cntnr)CDPL::Base::PropertyContainer
append(const Molecule &mol)=0CDPL::Chem::Moleculepure virtual
append(const MolecularGraph &molgraph)=0CDPL::Chem::Moleculepure virtual
AtomIterator typedefCDPL::Chem::Molecule
CDPL::begin() constCDPL::Chem::AtomContainer
CDPL::begin()CDPL::Chem::AtomContainer
CDPL::Chem::BondContainer::begin() constCDPL::Chem::BondContainer
CDPL::Chem::BondContainer::begin()CDPL::Chem::BondContainer
CDPL::Base::PropertyContainer::begin() constCDPL::Base::PropertyContainer
BondIterator typedefCDPL::Chem::Molecule
clear()=0CDPL::Chem::Moleculepure virtual
clearProperties()CDPL::Base::PropertyContainer
clone() const =0CDPL::Chem::MolecularGraphpure virtual
ConstAtomIterator typedefCDPL::Chem::Molecule
ConstBondIterator typedefCDPL::Chem::Molecule
ConstEntityIterator typedefCDPL::Chem::Entity3DContainer
ConstPropertyIterator typedefCDPL::Base::PropertyContainer
containsAtom(const Atom &atom) const =0CDPL::Chem::Moleculepure virtual
containsBond(const Bond &bond) const =0CDPL::Chem::Moleculepure virtual
copy(const Molecule &mol)=0CDPL::Chem::Moleculepure virtual
copy(const MolecularGraph &molgraph)=0CDPL::Chem::Moleculepure virtual
CopyPostprocessingFunction typedefCDPL::Chem::Molecule
copyProperties(const PropertyContainer &cntnr)CDPL::Base::PropertyContainer
CDPL::end() constCDPL::Chem::AtomContainer
CDPL::end()CDPL::Chem::AtomContainer
CDPL::Chem::BondContainer::end() constCDPL::Chem::BondContainer
CDPL::Chem::BondContainer::end()CDPL::Chem::BondContainer
CDPL::Base::PropertyContainer::end() constCDPL::Base::PropertyContainer
EntityIterator typedefCDPL::Chem::Entity3DContainer
getAtom(std::size_t idx) const =0CDPL::Chem::Moleculepure virtual
getAtom(std::size_t idx)=0CDPL::Chem::Moleculepure virtual
getAtomIndex(const Atom &atom) const =0CDPL::Chem::Moleculepure virtual
getAtoms() constCDPL::Chem::AtomContainerinline
getAtoms()CDPL::Chem::AtomContainerinline
getAtomsBegin() constCDPL::Chem::Molecule
getAtomsBegin()CDPL::Chem::Molecule
CDPL::Chem::MolecularGraph::getAtomsBegin() constCDPL::Chem::AtomContainer
getAtomsEnd() constCDPL::Chem::Molecule
getAtomsEnd()CDPL::Chem::Molecule
CDPL::Chem::MolecularGraph::getAtomsEnd() constCDPL::Chem::AtomContainer
getBond(std::size_t idx) const =0CDPL::Chem::Moleculepure virtual
getBond(std::size_t idx)=0CDPL::Chem::Moleculepure virtual
getBondIndex(const Bond &bond) const =0CDPL::Chem::Moleculepure virtual
getBonds() constCDPL::Chem::BondContainerinline
getBonds()CDPL::Chem::BondContainerinline
getBondsBegin() constCDPL::Chem::Molecule
getBondsBegin()CDPL::Chem::Molecule
CDPL::Chem::MolecularGraph::getBondsBegin() constCDPL::Chem::BondContainer
getBondsEnd() constCDPL::Chem::Molecule
getBondsEnd()CDPL::Chem::Molecule
CDPL::Chem::MolecularGraph::getBondsEnd() constCDPL::Chem::BondContainer
getEntities() constCDPL::Chem::Entity3DContainerinline
getEntities()CDPL::Chem::Entity3DContainerinline
getEntitiesBegin() constCDPL::Chem::Entity3DContainer
getEntitiesBegin()CDPL::Chem::Entity3DContainer
getEntitiesEnd() constCDPL::Chem::Entity3DContainer
getEntitiesEnd()CDPL::Chem::Entity3DContainer
getEntity(std::size_t idx) constCDPL::Chem::AtomContainervirtual
getEntity(std::size_t idx)CDPL::Chem::AtomContainervirtual
getNumAtoms() const =0CDPL::Chem::Moleculepure virtual
getNumBonds() const =0CDPL::Chem::Moleculepure virtual
getNumEntities() constCDPL::Chem::AtomContainervirtual
getNumProperties() constCDPL::Base::PropertyContainer
getProperties() constCDPL::Base::PropertyContainerinline
getPropertiesBegin() constCDPL::Base::PropertyContainer
getPropertiesEnd() constCDPL::Base::PropertyContainer
getProperty(const LookupKey &key) constCDPL::Base::PropertyContainer
getProperty(const LookupKey &key, bool throw_=false) constCDPL::Base::PropertyContainerinline
getPropertyOrDefault(const LookupKey &key, const T &def_val) constCDPL::Base::PropertyContainer
invokeCopyPostprocessingFunctions(const MolecularGraph &src_molgraph)CDPL::Chem::Moleculeprotected
isPropertySet(const LookupKey &key) constCDPL::Base::PropertyContainerinline
operator+=(const Molecule &mol)CDPL::Chem::Molecule
operator+=(const MolecularGraph &molgraph)CDPL::Chem::Molecule
operator-=(const MolecularGraph &molgraph)CDPL::Chem::Molecule
operator=(const Molecule &mol)CDPL::Chem::Molecule
operator=(const MolecularGraph &molgraph)CDPL::Chem::Molecule
CDPL::Chem::AtomContainer::operator=(const AtomContainer &cntnr)CDPL::Chem::AtomContainerprotected
CDPL::Chem::Entity3DContainer::operator=(const Entity3DContainer &cntnr)CDPL::Chem::Entity3DContainerprotected
CDPL::Chem::BondContainer::operator=(const BondContainer &cntnr)CDPL::Chem::BondContainerprotected
CDPL::Base::PropertyContainer::operator=(const PropertyContainer &cntnr)CDPL::Base::PropertyContainerprotected
orderAtoms(const AtomCompareFunction &func)=0CDPL::Chem::AtomContainerpure virtual
orderBonds(const BondCompareFunction &func)=0CDPL::Chem::BondContainerpure virtual
PropertyContainer()CDPL::Base::PropertyContainerinlineprotected
PropertyContainer(const PropertyContainer &cntnr)CDPL::Base::PropertyContainerprotected
PropertyEntry typedefCDPL::Base::PropertyContainer
registerCopyPostprocessingFunction(const CopyPostprocessingFunction &func)CDPL::Chem::Moleculestatic
remove(const MolecularGraph &molgraph)=0CDPL::Chem::Moleculepure virtual
removeAtom(std::size_t idx)=0CDPL::Chem::Moleculepure virtual
removeAtom(const AtomIterator &it)CDPL::Chem::Molecule
removeBond(std::size_t idx)=0CDPL::Chem::Moleculepure virtual
removeBond(const BondIterator &it)CDPL::Chem::Molecule
removeProperty(const LookupKey &key)CDPL::Base::PropertyContainer
reserveMemoryForAtoms(std::size_t num_atoms)CDPL::Chem::Moleculeinlinevirtual
reserveMemoryForBonds(std::size_t num_bonds)CDPL::Chem::Moleculeinlinevirtual
setProperty(const LookupKey &key, T &&val)CDPL::Base::PropertyContainer
SharedPointer typedefCDPL::Chem::Molecule
swap(PropertyContainer &cntnr)CDPL::Base::PropertyContainer
~AtomContainer()CDPL::Chem::AtomContainerinlineprotectedvirtual
~BondContainer()CDPL::Chem::BondContainerinlineprotectedvirtual
~Entity3DContainer()CDPL::Chem::Entity3DContainerinlineprotectedvirtual
~MolecularGraph()CDPL::Chem::MolecularGraphinlinevirtual
~Molecule()CDPL::Chem::Moleculeinlinevirtual
~PropertyContainer()CDPL::Base::PropertyContainerprotectedvirtual
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