AvogadroLibs
1.96.0
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#include <avogadro/core/atom.h>
Public Member Functions | |
Atom (Molecule *m, Index i) | |
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AtomTemplate () | |
AtomTemplate (MoleculeType *m, Index i) | |
bool | operator== (const AtomTemplate< MoleculeType > &other) const |
bool | operator!= (const AtomTemplate< MoleculeType > &other) const |
AtomTemplate< MoleculeType > & | operator++ () |
AtomTemplate< MoleculeType > | operator++ (int) |
AtomTemplate< MoleculeType > & | operator-- () |
AtomTemplate< MoleculeType > | operator-- (int) |
bool | isValid () const |
MoleculeType * | molecule () 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 | |
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typedef Molecule | MoleculeType |
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.