|
Chemical Data Processing Library C++ API - Version 1.1.1
|
Go to the documentation of this file.
29 #ifndef CDPL_CHEM_BOND_HPP
30 #define CDPL_CHEM_BOND_HPP
192 #endif // CDPL_CHEM_BOND_HPP
virtual Atom & getNeighbor(const Atom &atom)=0
Returns a non-const reference to the connected neighbor of the argument atom.
Definition of the preprocessor macro CDPL_CHEM_API.
#define CDPL_CHEM_API
Tells the compiler/linker which classes, functions and variables are part of the library API.
Bond.
Definition: Bond.hpp:50
virtual const Atom & getAtom(std::size_t idx) const =0
Returns a const reference to the atom at index idx.
A STL compatible random access iterator for container elements accessible by index.
Definition: IndexedElementIterator.hpp:125
Atom.
Definition: Atom.hpp:52
virtual const Atom & getNeighbor(const Atom &atom) const =0
Returns a const reference to the connected neighbor of the argument atom.
ConstAtomIterator getAtomsBegin() const
Returns a constant iterator pointing to the beginning of the stored const Chem::Atom objects.
AtomContainer::AtomIterator AtomIterator
A mutable random access iterator used to iterate over the connected atoms.
Definition: Bond.hpp:56
Molecule.
Definition: Molecule.hpp:49
A common interface for data-structures that support a random access to stored Chem::Atom instances.
Definition: AtomContainer.hpp:55
Definition of the class CDPL::Chem::AtomContainer.
virtual bool containsAtom(const Atom &atom) const =0
Tells whether the bond is incident to the specified atom.
virtual Atom & getAtom(std::size_t idx)=0
Returns a non-const reference to the atom at index idx.
A class providing methods for the storage and lookup of object properties.
Definition: PropertyContainer.hpp:75
virtual std::size_t getAtomIndex(const Atom &atom) const =0
Returns the index of the specified atom.
The namespace of the Chemical Data Processing Library.
virtual std::size_t getNumAtoms() const =0
Returns the number of atoms connected by the bond.
virtual std::size_t getIndex() const =0
Returns the index of the bond in its parent molecule.
virtual const Atom & getEnd() const =0
Returns a const reference to the end atom of the bond.
virtual ~Bond()
Virtual destructor.
Definition: Bond.hpp:187
virtual const Molecule & getMolecule() const =0
Returns a const reference to the parent molecule.
AtomContainer::ConstAtomIterator ConstAtomIterator
A constant random access iterator used to iterate over the connected atoms.
Definition: Bond.hpp:61
Definition of the class CDPL::Base::PropertyContainer.
virtual Atom & getBegin()=0
Returns a non-const reference to the start atom of the bond.
virtual const Atom & getBegin() const =0
Returns a const reference to the start atom of the bond.
virtual Atom & getEnd()=0
Returns a non-const reference to the end atom of the bond.
ConstAtomIterator getAtomsEnd() const
Returns a constant iterator pointing to the end of the stored const Chem::Atom objects.
virtual Molecule & getMolecule()=0
Returns a non-const reference to the parent molecule.