AvogadroLibs 1.97.0
Public Member Functions | Protected Member Functions | List of all members
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 ()
 
virtual std::string type (const Atom &atom)=0
 

Additional Inherited Members

- Public Types inherited from AtomTyper< std::string >
typedef std::string 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: