NameAtomTyper Class Reference

The NameAtomTyper class is a simple implementation of AtomTyper that assigns element names to each atom.

#include <avogadro/core/nameatomtyper.h>

Inheritance diagram for NameAtomTyper:

Public Member Functions
	NameAtomTyper (const Molecule *mol=nullptr)
Public Member Functions inherited from AtomTyper< std::string >
	AtomTyper (const Molecule *mol=nullptr)
void	setMolecule (const Molecule *mol)
virtual void	run ()
virtual std::string	atomType (const Atom &atom)
Array< std::string >	types () const
virtual void	reset ()

Protected Member Functions
std::string	type (const Atom &atom) override
Protected Member Functions inherited from AtomTyper< std::string >
virtual void	initialize ()

Additional Inherited Members
Public Types inherited from AtomTyper< std::string >
using	ValueType
Protected Attributes inherited from AtomTyper< std::string >
const Molecule *	m_molecule
Array< std::string >	m_types

Member Function Documentation

type()

std::string type ( const Atom & atom )

overrideprotectedvirtual

Determines the type of the atom.

Parameters

atom	The atom to type.

Returns

The type of atom.

Implements AtomTyper< std::string >.

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

• nameatomtyper.h