source: molecuilder/src/atom_bondedparticle.hpp@ dbc152

Last change on this file since dbc152 was 94d0ad, checked in by Frederik Heber <heber@…>, 16 years ago

Begun with ticket #38 (make const what is const).

  • basically all changes to member function that now state that they do not change member attributes.
  • in molecule_template.hpp all member functions are declared const, as we only need start and end from molecule and these are never changed (lots of overloaded templates removed thereby).
  • Vector::Distance...() and ...DistanceSquared() are const now too
  • Property mode set to 100644
File size: 1.2 KB
Line 
1/*
2 * atom_bondedparticle.hpp
3 *
4 * Created on: Oct 19, 2009
5 * Author: heber
6 */
7
8#ifndef ATOM_BONDEDPARTICLE_HPP_
9#define ATOM_BONDEDPARTICLE_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 <fstream>
22#include <list>
23
24#include "atom_atominfo.hpp"
25#include "atom_bondedparticleinfo.hpp"
26#include "atom_particleinfo.hpp"
27
28/****************************************** forward declarations *****************************/
29
30class bond;
31
32/********************************************** declarations *******************************/
33
34class BondedParticle : public BondedParticleInfo, public virtual ParticleInfo, public virtual AtomInfo {
35public:
36 BondedParticle();
37 virtual ~BondedParticle();
38
39 bool RegisterBond(bond *Binder);
40 bool UnregisterBond(bond *Binder);
41 void UnregisterAllBond();
42 int CountBonds() const;
43 int CorrectBondDegree(ofstream *out);
44 bool OutputBondOfAtom(ofstream *out) const;
45 void OutputAdjacency(ofstream *AdjacencyFile) const;
46 void OutputOrder(ofstream *file) const;
47
48private:
49
50};
51
52
53#endif /* ATOM_BONDEDPARTICLE_HPP_ */
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