#include <additional.h>
Public Member Functions | |
Atoms () | |
Public Attributes | |
unsigned int | n_atoms |
unsigned int | n_bonds |
QVector3D * | coord |
QVector3D * | u |
int * | type |
QVector< int > | bonds |
The structure Atoms holds information needed to describe the location and type of an atom in a matrix.
Atoms::Atoms | ( | ) | [inline] |
Constructor.
QVector<int> Atoms::bonds |
QVector3D* Atoms::coord |
Atomic coordinates .
unsigned int Atoms::n_atoms |
Number of atoms.
unsigned int Atoms::n_bonds |
Number of bonds between atoms.
int* Atoms::type |
QVector3D* Atoms::u |
Some other coordinates .