Chemical Data Processing Library C++ API - Version 1.1.1
CDPL
Chem
BasicMolecule
CDPL::Chem::BasicMolecule Member List
This is the complete list of members for
CDPL::Chem::BasicMolecule
, including all inherited members.
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
inline
protected
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
inline
protected
virtual
~BasicMolecule
()
CDPL::Chem::BasicMolecule
~BondContainer
()
CDPL::Chem::BondContainer
inline
protected
virtual
~Entity3DContainer
()
CDPL::Chem::Entity3DContainer
inline
protected
virtual
~MolecularGraph
()
CDPL::Chem::MolecularGraph
inline
virtual
~Molecule
()
CDPL::Chem::Molecule
inline
virtual
~PropertyContainer
()
CDPL::Base::PropertyContainer
protected
virtual
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