Chemical Data Processing Library C++ API - Version 1.4.0
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CDPL::Chem::BasicAtom Class Reference

Concrete Chem::Atom implementation used as the atom type of Chem::BasicMolecule. More...

#include <BasicAtom.hpp>

+ Inheritance diagram for CDPL::Chem::BasicAtom:

Public Types

typedef boost::transform_iterator< AtomAccessor< BasicAtom >, NeighborList::iterator > AtomIterator
 Mutable random-access iterator over the connected (neighbor) atoms. More...
 
typedef boost::transform_iterator< AtomAccessor< const BasicAtom >, NeighborList::const_iterator > ConstAtomIterator
 Constant random-access iterator over the connected (neighbor) atoms. More...
 
typedef boost::transform_iterator< BondAccessor< BasicBond >, NeighborList::iterator > BondIterator
 Mutable random-access iterator over the incident bonds. More...
 
typedef boost::transform_iterator< BondAccessor< const BasicBond >, NeighborList::const_iterator > ConstBondIterator
 Constant random-access iterator over the incident bonds. More...
 
- Public Types inherited from CDPL::Chem::Atom
typedef AtomContainer::AtomIterator AtomIterator
 A mutable random access iterator used to iterate over the connected atoms. More...
 
typedef AtomContainer::ConstAtomIterator ConstAtomIterator
 A constant random access iterator used to iterate over the connected atoms. More...
 
typedef BondContainer::BondIterator BondIterator
 A mutable random access iterator used to iterate over the incident bonds. More...
 
typedef BondContainer::ConstBondIterator ConstBondIterator
 A constant random access iterator used to iterate over the incident bonds. More...
 
- Public Types inherited from CDPL::Chem::AtomContainer
typedef Util::IndexedElementIterator< const Atom, ConstAtomAccessor > ConstAtomIterator
 A constant random access iterator used to iterate over the stored const Chem::Atom objects. More...
 
typedef Util::IndexedElementIterator< Atom, AtomAccessor > AtomIterator
 A mutable random access iterator used to iterate over the stored Chem::Atom objects. More...
 
- Public Types inherited from CDPL::Chem::Entity3DContainer
typedef Util::IndexedElementIterator< const Entity3D, ConstEntityAccessor > ConstEntityIterator
 A constant random access iterator used to iterate over the stored const Chem::Entity3D objects. More...
 
typedef Util::IndexedElementIterator< Entity3D, EntityAccessor > EntityIterator
 A mutable random access iterator used to iterate over the stored Chem::Entity3D objects. More...
 
- Public Types inherited from CDPL::Chem::BondContainer
typedef Util::IndexedElementIterator< const Bond, ConstBondAccessor > ConstBondIterator
 A constant random access iterator used to iterate over the stored const Chem::Bond objects. More...
 
typedef Util::IndexedElementIterator< Bond, BondAccessor > BondIterator
 A mutable random access iterator used to iterate over the stored Chem::Bond objects. More...
 
- Public Types inherited from CDPL::Base::PropertyContainer
typedef PropertyMap::value_type PropertyEntry
 A Base::LookupKey / Base::Any pair that stores the property value for a given property key. More...
 
typedef PropertyMap::const_iterator ConstPropertyIterator
 A constant iterator used to iterate over the property entries. More...
 

Public Member Functions

const MoleculegetMolecule () const
 Returns a const reference to the molecule owning this atom. More...
 
MoleculegetMolecule ()
 Returns a mutable reference to the molecule owning this atom. More...
 
std::size_t getNumAtoms () const
 Returns the number of connected (neighbor) atoms. More...
 
std::size_t getNumBonds () const
 Returns the number of incident bonds (equal to getNumAtoms()). More...
 
const BondgetBond (std::size_t idx) const
 Returns a const reference to the incident bond at index idx. More...
 
BondgetBond (std::size_t idx)
 Returns a mutable reference to the incident bond at index idx. More...
 
const BondgetBondToAtom (const Atom &atom) const
 Returns the incident bond that connects this atom with atom. More...
 
BondgetBondToAtom (const Atom &atom)
 Returns the incident bond that connects this atom with atom. More...
 
const BondfindBondToAtom (const Atom &atom) const
 Looks up the incident bond that connects this atom with atom without throwing. More...
 
BondfindBondToAtom (const Atom &atom)
 Looks up the incident bond that connects this atom with atom without throwing. More...
 
const AtomgetAtom (std::size_t idx) const
 Returns a const reference to the connected (neighbor) atom at index idx. More...
 
AtomgetAtom (std::size_t idx)
 Returns a mutable reference to the connected (neighbor) atom at index idx. More...
 
ConstAtomIterator getAtomsBegin () const
 Returns a constant iterator pointing to the beginning of the connected atoms. More...
 
AtomIterator getAtomsBegin ()
 Returns a mutable iterator pointing to the beginning of the connected atoms. More...
 
ConstAtomIterator getAtomsEnd () const
 Returns a constant iterator pointing to the end of the connected atoms. More...
 
AtomIterator getAtomsEnd ()
 Returns a mutable iterator pointing to the end of the connected atoms. More...
 
ConstBondIterator getBondsBegin () const
 Returns a constant iterator pointing to the beginning of the incident bonds. More...
 
BondIterator getBondsBegin ()
 Returns a mutable iterator pointing to the beginning of the incident bonds. More...
 
ConstBondIterator getBondsEnd () const
 Returns a constant iterator pointing to the end of the incident bonds. More...
 
BondIterator getBondsEnd ()
 Returns a mutable iterator pointing to the end of the incident bonds. More...
 
bool containsAtom (const Atom &atom) const
 Tells whether atom is a neighbor of this atom. More...
 
bool containsBond (const Bond &bond) const
 Tells whether bond is an incident bond of this atom. More...
 
std::size_t getAtomIndex (const Atom &atom) const
 Returns the index of the neighbor atom atom in the connected-atoms list. More...
 
std::size_t getBondIndex (const Bond &bond) const
 Returns the index of the incident bond bond. More...
 
std::size_t getIndex () const
 Returns the index of this atom in its owning molecule's atom list. More...
 
void orderAtoms (const AtomCompareFunction &func)
 Reorders the connected (neighbor) atom list using the binary comparator func. More...
 
void orderBonds (const BondCompareFunction &func)
 Reorders the incident bond list using the binary comparator func. More...
 
BasicAtomoperator= (const BasicAtom &atom)
 Assignment operator that replaces the current set of properties with the properties of atom;. More...
 
Atomoperator= (const Atom &atom)
 Assignment operator that replaces the current set of properties with the properties of atom;. More...
 
- Public Member Functions inherited from CDPL::Chem::Atom
Atomoperator= (const Atom &atom)
 Assignment operator that replaces the current set of properties with the properties of atom;. More...
 
ConstAtomIterator getAtomsBegin () const
 Returns a constant iterator pointing to the beginning of the stored const Chem::Atom objects. More...
 
AtomIterator getAtomsBegin ()
 Returns a mutable iterator pointing to the beginning of the stored Chem::Atom objects. More...
 
ConstAtomIterator getAtomsEnd () const
 Returns a constant iterator pointing to the end of the stored const Chem::Atom objects. More...
 
AtomIterator getAtomsEnd ()
 Returns a mutable iterator pointing to the end of the stored Chem::Atom objects. More...
 
ConstBondIterator getBondsBegin () const
 Returns a constant iterator pointing to the beginning of the stored const Chem::Bond objects. More...
 
BondIterator getBondsBegin ()
 Returns a mutable iterator pointing to the beginning of the stored Chem::Bond objects. More...
 
ConstBondIterator getBondsEnd () const
 Returns a constant iterator pointing to the end of the stored const Chem::Bond objects. More...
 
BondIterator getBondsEnd ()
 Returns a mutable iterator pointing to the end of the stored Chem::Bond objects. More...
 
- Public Member Functions inherited from CDPL::Chem::AtomContainer
ConstAtomIterator getAtomsBegin () const
 Returns a constant iterator pointing to the beginning of the stored const Chem::Atom objects. More...
 
ConstAtomIterator getAtomsEnd () const
 Returns a constant iterator pointing to the end of the stored const Chem::Atom objects. More...
 
AtomIterator getAtomsBegin ()
 Returns a mutable iterator pointing to the beginning of the stored Chem::Atom objects. More...
 
AtomIterator getAtomsEnd ()
 Returns a mutable iterator pointing to the end of the stored Chem::Atom objects. More...
 
ConstAtomIterator begin () const
 Returns a constant iterator pointing to the beginning of the stored const Chem::Atom objects. More...
 
ConstAtomIterator end () const
 Returns a constant iterator pointing to the end of the stored const Chem::Atom objects. More...
 
AtomIterator begin ()
 Returns a mutable iterator pointing to the beginning of the stored Chem::Atom objects. More...
 
AtomIterator end ()
 Returns a mutable iterator pointing to the end of the stored Chem::Atom objects. More...
 
virtual std::size_t getNumEntities () const
 Returns the number of stored Chem::Entity3D objects (equivalent to getNumAtoms()). More...
 
virtual const Entity3DgetEntity (std::size_t idx) const
 Returns a const reference to the Chem::Entity3D instance at index idx (equivalent to getAtom(idx)). More...
 
virtual Entity3DgetEntity (std::size_t idx)
 Returns a non-const reference to the Chem::Entity3D instance at index idx (equivalent to getAtom(idx)). More...
 
const AtomContainergetAtoms () const
 Returns a const reference to itself. More...
 
AtomContainergetAtoms ()
 Returns a reference to itself. More...
 
- Public Member Functions inherited from CDPL::Chem::Entity3DContainer
ConstEntityIterator getEntitiesBegin () const
 Returns a constant iterator pointing to the beginning of the stored const Chem::Entity3D objects. More...
 
ConstEntityIterator getEntitiesEnd () const
 Returns a constant iterator pointing to the end of the stored const Chem::Entity3D objects. More...
 
EntityIterator getEntitiesBegin ()
 Returns a mutable iterator pointing to the beginning of the stored Chem::Entity3D objects. More...
 
EntityIterator getEntitiesEnd ()
 Returns a mutable iterator pointing to the end of the stored Chem::Entity3D objects. More...
 
ConstEntityIterator begin () const
 Returns a constant iterator pointing to the beginning of the stored const Chem::Entity3D objects. More...
 
ConstEntityIterator end () const
 Returns a constant iterator pointing to the end of the stored const Chem::Entity3D objects. More...
 
EntityIterator begin ()
 Returns a mutable iterator pointing to the beginning of the stored Chem::Entity3D objects. More...
 
EntityIterator end ()
 Returns a mutable iterator pointing to the end of the stored Chem::Entity3D objects. More...
 
const Entity3DContainergetEntities () const
 Returns a const reference to itself. More...
 
Entity3DContainergetEntities ()
 Returns a reference to itself. More...
 
- Public Member Functions inherited from CDPL::Chem::BondContainer
ConstBondIterator getBondsBegin () const
 Returns a constant iterator pointing to the beginning of the stored const Chem::Bond objects. More...
 
ConstBondIterator getBondsEnd () const
 Returns a constant iterator pointing to the end of the stored const Chem::Bond objects. More...
 
BondIterator getBondsBegin ()
 Returns a mutable iterator pointing to the beginning of the stored Chem::Bond objects. More...
 
BondIterator getBondsEnd ()
 Returns a mutable iterator pointing to the end of the stored Chem::Bond objects. More...
 
ConstBondIterator begin () const
 Returns a constant iterator pointing to the beginning of the stored const Chem::Bond objects. More...
 
ConstBondIterator end () const
 Returns a constant iterator pointing to the end of the stored const Chem::Bond objects. More...
 
BondIterator begin ()
 Returns a mutable iterator pointing to the beginning of the stored Chem::Bond objects. More...
 
BondIterator end ()
 Returns a mutable iterator pointing to the end of the stored Chem::Bond objects. More...
 
const BondContainergetBonds () const
 Returns a const reference to itself. More...
 
BondContainergetBonds ()
 Returns a reference to itself. More...
 
- Public Member Functions inherited from CDPL::Base::PropertyContainer
std::size_t getNumProperties () const
 Returns the number of property entries. More...
 
template<typename T >
void setProperty (const LookupKey &key, T &&val)
 Sets the value of the property specified by key to val. More...
 
template<typename T >
const T & getProperty (const LookupKey &key) const
 Returns the value of the property specified by key as a const reference to an object of type T. More...
 
template<typename T >
const T & getPropertyOrDefault (const LookupKey &key, const T &def_val) const
 Returns the value of the property specified by key as a const reference to an object of type T, or the default value def_val if a stored value does not exist. More...
 
const AnygetProperty (const LookupKey &key, bool throw_=false) const
 Returns the value of the property specified by key. More...
 
bool isPropertySet (const LookupKey &key) const
 Tells whether or not a value has been assigned to the property specified by key. More...
 
ConstPropertyIterator getPropertiesBegin () const
 Returns a constant iterator pointing to the beginning of the property entries. More...
 
ConstPropertyIterator getPropertiesEnd () const
 Returns a constant iterator pointing to the end of the property entries. More...
 
ConstPropertyIterator begin () const
 Returns a constant iterator pointing to the beginning of the property entries. More...
 
ConstPropertyIterator end () const
 Returns a constant iterator pointing to the end of the property entries. More...
 
bool removeProperty (const LookupKey &key)
 Clears the value of the property specified by key. More...
 
void clearProperties ()
 Clears all property values. More...
 
void addProperties (const PropertyContainer &cntnr)
 Adds the property value entries in the PropertyContainer instance cntnr. More...
 
void copyProperties (const PropertyContainer &cntnr)
 Replaces the current set of properties by a copy of the entries in cntnr. More...
 
void swap (PropertyContainer &cntnr)
 Exchanges the properties of this container with the properties of the container cntnr. More...
 
const PropertyContainergetProperties () const
 Returns a const reference to itself. More...
 

Friends

class BasicMolecule
 

Additional Inherited Members

- Protected Member Functions inherited from CDPL::Chem::Atom
virtual ~Atom ()
 Virtual destructor. More...
 
- Protected Member Functions inherited from CDPL::Chem::AtomContainer
virtual ~AtomContainer ()
 Virtual destructor. More...
 
AtomContaineroperator= (const AtomContainer &cntnr)
 Assignment operator. More...
 
- Protected Member Functions inherited from CDPL::Chem::Entity3DContainer
virtual ~Entity3DContainer ()
 Virtual destructor. More...
 
Entity3DContaineroperator= (const Entity3DContainer &cntnr)
 Assignment operator. More...
 
- Protected Member Functions inherited from CDPL::Chem::BondContainer
virtual ~BondContainer ()
 Virtual destructor. More...
 
BondContaineroperator= (const BondContainer &cntnr)
 Assignment operator. More...
 
- Protected Member Functions inherited from CDPL::Chem::Entity3D
 Entity3D ()
 Default constructor. More...
 
 Entity3D (const Entity3D &entity)
 Constructs a copy of the Entity3D instance entity. More...
 
virtual ~Entity3D ()
 Virtual destructor. More...
 
Entity3Doperator= (const Entity3D &cntnr)
 Assignment operator. More...
 
- Protected Member Functions inherited from CDPL::Base::PropertyContainer
 PropertyContainer ()
 Constructs an empty PropertyContainer instance. More...
 
 PropertyContainer (const PropertyContainer &cntnr)
 Constructs a copy of the PropertyContainer instance cntnr. More...
 
virtual ~PropertyContainer ()
 Virtual destructor. More...
 
PropertyContaineroperator= (const PropertyContainer &cntnr)
 Assignment operator. More...
 

Detailed Description

Concrete Chem::Atom implementation used as the atom type of Chem::BasicMolecule.

Stores its own incident-bond list and provides constant-time access to neighbor atoms and bonds via the inherited Chem::Atom interface. BasicAtom instances are owned by a Chem::BasicMolecule and are not constructed directly by client code; use Chem::BasicMolecule::addAtom() instead.

Member Typedef Documentation

◆ AtomIterator

typedef boost::transform_iterator<AtomAccessor<BasicAtom>, NeighborList::iterator> CDPL::Chem::BasicAtom::AtomIterator

Mutable random-access iterator over the connected (neighbor) atoms.

◆ ConstAtomIterator

typedef boost::transform_iterator<AtomAccessor<const BasicAtom>, NeighborList::const_iterator> CDPL::Chem::BasicAtom::ConstAtomIterator

Constant random-access iterator over the connected (neighbor) atoms.

◆ BondIterator

typedef boost::transform_iterator<BondAccessor<BasicBond>, NeighborList::iterator> CDPL::Chem::BasicAtom::BondIterator

Mutable random-access iterator over the incident bonds.

◆ ConstBondIterator

typedef boost::transform_iterator<BondAccessor<const BasicBond>, NeighborList::const_iterator> CDPL::Chem::BasicAtom::ConstBondIterator

Constant random-access iterator over the incident bonds.

Member Function Documentation

◆ getMolecule() [1/2]

const Molecule& CDPL::Chem::BasicAtom::getMolecule ( ) const
virtual

Returns a const reference to the molecule owning this atom.

Returns
A const reference to the owning molecule.

Implements CDPL::Chem::Atom.

◆ getMolecule() [2/2]

Molecule& CDPL::Chem::BasicAtom::getMolecule ( )
virtual

Returns a mutable reference to the molecule owning this atom.

Returns
A mutable reference to the owning molecule.

Implements CDPL::Chem::Atom.

◆ getNumAtoms()

std::size_t CDPL::Chem::BasicAtom::getNumAtoms ( ) const
virtual

Returns the number of connected (neighbor) atoms.

Returns
The neighbor count.

Implements CDPL::Chem::Atom.

◆ getNumBonds()

std::size_t CDPL::Chem::BasicAtom::getNumBonds ( ) const
virtual

Returns the number of incident bonds (equal to getNumAtoms()).

Returns
The incident-bond count.

Implements CDPL::Chem::Atom.

◆ getBond() [1/2]

const Bond& CDPL::Chem::BasicAtom::getBond ( std::size_t  idx) const
virtual

Returns a const reference to the incident bond at index idx.

Parameters
idxThe zero-based index of the bond.
Returns
A const reference to the bond.
Exceptions
Base::IndexErrorif idx is not less than getNumBonds().

Implements CDPL::Chem::Atom.

◆ getBond() [2/2]

Bond& CDPL::Chem::BasicAtom::getBond ( std::size_t  idx)
virtual

Returns a mutable reference to the incident bond at index idx.

Parameters
idxThe zero-based index of the bond.
Returns
A mutable reference to the bond.
Exceptions
Base::IndexErrorif idx is not less than getNumBonds().

Implements CDPL::Chem::Atom.

◆ getBondToAtom() [1/2]

const Bond& CDPL::Chem::BasicAtom::getBondToAtom ( const Atom atom) const
virtual

Returns the incident bond that connects this atom with atom.

Parameters
atomThe other end-atom of the requested bond.
Returns
A const reference to the connecting bond.
Exceptions
Base::ItemNotFoundif there is no such bond.

Implements CDPL::Chem::Atom.

◆ getBondToAtom() [2/2]

Bond& CDPL::Chem::BasicAtom::getBondToAtom ( const Atom atom)
virtual

Returns the incident bond that connects this atom with atom.

Parameters
atomThe other end-atom of the requested bond.
Returns
A mutable reference to the connecting bond.
Exceptions
Base::ItemNotFoundif there is no such bond.

Implements CDPL::Chem::Atom.

◆ findBondToAtom() [1/2]

const Bond* CDPL::Chem::BasicAtom::findBondToAtom ( const Atom atom) const
virtual

Looks up the incident bond that connects this atom with atom without throwing.

Parameters
atomThe other end-atom of the requested bond.
Returns
A pointer to the connecting bond, or nullptr if no such bond exists.

Implements CDPL::Chem::Atom.

◆ findBondToAtom() [2/2]

Bond* CDPL::Chem::BasicAtom::findBondToAtom ( const Atom atom)
virtual

Looks up the incident bond that connects this atom with atom without throwing.

Parameters
atomThe other end-atom of the requested bond.
Returns
A pointer to the connecting bond, or nullptr if no such bond exists.

Implements CDPL::Chem::Atom.

◆ getAtom() [1/2]

const Atom& CDPL::Chem::BasicAtom::getAtom ( std::size_t  idx) const
virtual

Returns a const reference to the connected (neighbor) atom at index idx.

Parameters
idxThe zero-based index of the neighbor atom.
Returns
A const reference to the neighbor atom.
Exceptions
Base::IndexErrorif idx is not less than getNumAtoms().

Implements CDPL::Chem::Atom.

◆ getAtom() [2/2]

Atom& CDPL::Chem::BasicAtom::getAtom ( std::size_t  idx)
virtual

Returns a mutable reference to the connected (neighbor) atom at index idx.

Parameters
idxThe zero-based index of the neighbor atom.
Returns
A mutable reference to the neighbor atom.
Exceptions
Base::IndexErrorif idx is not less than getNumAtoms().

Implements CDPL::Chem::Atom.

◆ getAtomsBegin() [1/2]

ConstAtomIterator CDPL::Chem::BasicAtom::getAtomsBegin ( ) const

Returns a constant iterator pointing to the beginning of the connected atoms.

Returns
A constant iterator pointing to the beginning of the connected atoms.

◆ getAtomsBegin() [2/2]

AtomIterator CDPL::Chem::BasicAtom::getAtomsBegin ( )

Returns a mutable iterator pointing to the beginning of the connected atoms.

Returns
A mutable iterator pointing to the beginning of the connected atoms.

◆ getAtomsEnd() [1/2]

ConstAtomIterator CDPL::Chem::BasicAtom::getAtomsEnd ( ) const

Returns a constant iterator pointing to the end of the connected atoms.

Returns
A constant iterator pointing to the end of the connected atoms.

◆ getAtomsEnd() [2/2]

AtomIterator CDPL::Chem::BasicAtom::getAtomsEnd ( )

Returns a mutable iterator pointing to the end of the connected atoms.

Returns
A mutable iterator pointing to the end of the connected atoms.

◆ getBondsBegin() [1/2]

ConstBondIterator CDPL::Chem::BasicAtom::getBondsBegin ( ) const

Returns a constant iterator pointing to the beginning of the incident bonds.

Returns
A constant iterator pointing to the beginning of the incident bonds.

◆ getBondsBegin() [2/2]

BondIterator CDPL::Chem::BasicAtom::getBondsBegin ( )

Returns a mutable iterator pointing to the beginning of the incident bonds.

Returns
A mutable iterator pointing to the beginning of the incident bonds.

◆ getBondsEnd() [1/2]

ConstBondIterator CDPL::Chem::BasicAtom::getBondsEnd ( ) const

Returns a constant iterator pointing to the end of the incident bonds.

Returns
A constant iterator pointing to the end of the incident bonds.

◆ getBondsEnd() [2/2]

BondIterator CDPL::Chem::BasicAtom::getBondsEnd ( )

Returns a mutable iterator pointing to the end of the incident bonds.

Returns
A mutable iterator pointing to the end of the incident bonds.

◆ containsAtom()

bool CDPL::Chem::BasicAtom::containsAtom ( const Atom atom) const
virtual

Tells whether atom is a neighbor of this atom.

Parameters
atomThe atom to look up.
Returns
true if atom is in the neighbor list, and false otherwise.

Implements CDPL::Chem::Atom.

◆ containsBond()

bool CDPL::Chem::BasicAtom::containsBond ( const Bond bond) const
virtual

Tells whether bond is an incident bond of this atom.

Parameters
bondThe bond to look up.
Returns
true if bond is in the incident-bond list, and false otherwise.

Implements CDPL::Chem::Atom.

◆ getAtomIndex()

std::size_t CDPL::Chem::BasicAtom::getAtomIndex ( const Atom atom) const
virtual

Returns the index of the neighbor atom atom in the connected-atoms list.

Parameters
atomThe neighbor atom to look up.
Returns
The zero-based neighbor index.
Exceptions
Base::ItemNotFoundif atom is not a neighbor.

Implements CDPL::Chem::Atom.

◆ getBondIndex()

std::size_t CDPL::Chem::BasicAtom::getBondIndex ( const Bond bond) const
virtual

Returns the index of the incident bond bond.

Parameters
bondThe bond to look up.
Returns
The zero-based incident-bond index.
Exceptions
Base::ItemNotFoundif bond is not incident.

Implements CDPL::Chem::Atom.

◆ getIndex()

std::size_t CDPL::Chem::BasicAtom::getIndex ( ) const
virtual

Returns the index of this atom in its owning molecule's atom list.

Returns
The zero-based atom index.

Implements CDPL::Chem::Atom.

◆ orderAtoms()

void CDPL::Chem::BasicAtom::orderAtoms ( const AtomCompareFunction func)
virtual

Reorders the connected (neighbor) atom list using the binary comparator func.

Parameters
funcThe strict-weak-ordering comparator used to sort the neighbor list.

Implements CDPL::Chem::AtomContainer.

◆ orderBonds()

void CDPL::Chem::BasicAtom::orderBonds ( const BondCompareFunction func)
virtual

Reorders the incident bond list using the binary comparator func.

Parameters
funcThe strict-weak-ordering comparator used to sort the bond list.

Implements CDPL::Chem::BondContainer.

◆ operator=() [1/2]

BasicAtom& CDPL::Chem::BasicAtom::operator= ( const BasicAtom atom)

Assignment operator that replaces the current set of properties with the properties of atom;.

Parameters
atomThe atom whose properties get copied.
Returns
A reference to itself.

◆ operator=() [2/2]

Atom& CDPL::Chem::Atom::operator=

Assignment operator that replaces the current set of properties with the properties of atom;.

Parameters
atomThe atom whose properties get copied.
Returns
A reference to itself.

Friends And Related Function Documentation

◆ BasicMolecule

friend class BasicMolecule
friend

The documentation for this class was generated from the following file: