Public Member Functions | Public Attributes

Atoms Struct Reference

#include <additional.h>

List of all members.

Public Member Functions

 Atoms ()

Public Attributes

unsigned int n_atoms
unsigned int n_bonds
QVector3D * coord
QVector3D * u
int * type
QVector< int > bonds

Detailed Description

The structure Atoms holds information needed to describe the location and type of an atom in a matrix.

Constructor & Destructor Documentation

Atoms::Atoms (  ) [inline]


Member Data Documentation

QVector<int> Atoms::bonds
QVector3D* Atoms::coord

Atomic coordinates $(x,y,z)$.

unsigned int Atoms::n_atoms

Number of atoms.

unsigned int Atoms::n_bonds

Number of bonds between atoms.

QVector3D* Atoms::u

Some other coordinates $(x,y,z)$.

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