AvogadroLibs  1.96.0
Public Member Functions | List of all members
Atom Class Reference

#include <avogadro/core/atom.h>

Inheritance diagram for Atom:
AtomTemplate< Molecule >

Public Member Functions

 Atom (Molecule *m, Index i)
 
- Public Member Functions inherited from AtomTemplate< Molecule >
 AtomTemplate ()
 
 AtomTemplate (MoleculeType *m, Index i)
 
bool operator== (const AtomTemplate< MoleculeType > &other) const
 
bool operator!= (const AtomTemplate< MoleculeType > &other) const
 
AtomTemplate< MoleculeType > & operator++ ()
 
AtomTemplate< MoleculeTypeoperator++ (int)
 
AtomTemplate< MoleculeType > & operator-- ()
 
AtomTemplate< MoleculeTypeoperator-- (int)
 
bool isValid () const
 
MoleculeTypemolecule () const
 
Index index () const
 
void setSelected (bool selected)
 
bool selected () const
 
void setForceVector (const Vector3 &force)
 
Vector3 forceVector () const
 
void setLabel (const std::string &label)
 
std::string label () const
 
void setAtomicNumber (unsigned char num)
 
unsigned char atomicNumber () const
 
void setPosition2d (const Vector2 &pos)
 
Vector2 position2d () const
 
void setPosition3d (const Vector3 &pos)
 
Vector3 position3d () const
 
void setHybridization (AtomHybridization hyb)
 
AtomHybridization hybridization () const
 
void setFormalCharge (signed char charge)
 
signed char formalCharge () const
 
void setColor (Vector3ub color)
 
Vector3ub color () const
 
void setLayer (size_t layer)
 
size_t layer () const
 

Additional Inherited Members

- Public Types inherited from AtomTemplate< Molecule >
typedef Molecule MoleculeType
 

Detailed Description

The atom class represents an atom in a molecule. To use the appropriate atom implementation for a specific molecule implementation, use the [MoleculeClass]::AtomType typedef.


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