AvogadroLibs 1.98.1
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The NameAtomTyper class is a simple implementation of AtomTyper that assigns element names to each atom.
#include <avogadro/core/nameatomtyper.h>
Public Member Functions | |
NameAtomTyper (const Molecule *mol=nullptr) | |
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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 |
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virtual void | initialize () |
Additional Inherited Members | |
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typedef std::string | ValueType |
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const Molecule * | m_molecule |
Array< std::string > | m_types |
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overrideprotectedvirtual |
Determines the type of the atom.
atom | The atom to type. |
Implements AtomTyper< std::string >.