AvogadroLibs 1.100.0
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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:
AtomTyper< std::string >

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 Moleculem_molecule
Array< std::string > m_types

Member Function Documentation

◆ type()

std::string type ( const Atom & atom)
overrideprotectedvirtual

Determines the type of the atom.

Parameters
atomThe atom to type.
Returns
The type of atom.

Implements AtomTyper< std::string >.


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