source: molecuilder/src/atom_atominfo.hpp@ ae8b90

Last change on this file since ae8b90 was 5dba7a, checked in by Tillmann Crueger <crueger@…>, 15 years ago

Made the periodentafel use STL-containers instead of custom llists

  • Property mode set to 100644
File size: 1.0 KB
Line 
1/*
2 * atom_atominfo.hpp
3 *
4 * Created on: Oct 19, 2009
5 * Author: heber
6 */
7
8#ifndef ATOM_ATOMINFO_HPP_
9#define ATOM_ATOMINFO_HPP_
10
11
12using namespace std;
13
14/*********************************************** includes ***********************************/
15
16// include config.h
17#ifdef HAVE_CONFIG_H
18#include <config.h>
19#endif
20
21#include "vector.hpp"
22
23/****************************************** forward declarations *****************************/
24
25class element;
26
27/********************************************** declarations *******************************/
28
29class AtomInfo {
30public:
31 Vector x; //!< coordinate vector of atom, giving last position within cell
32 Vector v; //!< velocity vector of atom, giving last velocity within cell
33 Vector F; //!< Force vector of atom, giving last force within cell
34 const element *type; //!< pointing to element
35
36 AtomInfo();
37 ~AtomInfo();
38
39 const element *getType();
40 void setType(const element *);
41 void setType(int);
42
43private:
44};
45
46#endif /* ATOM_ATOMINFO_HPP_ */
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