source: src/atom_bondedparticleinfo.hpp@ 073a9e4

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Last change on this file since 073a9e4 was 9a3a53, checked in by Frederik Heber <heber@…>, 14 years ago

BondedParticleInfo::ListOfBonds is (just) protected to allow inheriting classes access.
  • Property mode set to 100644
File size: 2.1 KB
Line 
1/*
2 * atom_bondedparticleinfo.hpp
3 *
4 * Created on: Oct 19, 2009
5 * Author: heber
6 */
7
8#ifndef ATOM_BONDEDPARTICLEINFO_HPP_
9#define ATOM_BONDEDPARTICLEINFO_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 <list>
22
23/****************************************** forward declarations *****************************/
24
25class bond;
26class BondedParticle;
27
28#define BondList list<bond *>
29
30/********************************************** declarations *******************************/
31
32class BondedParticleInfo {
33 friend class BondedParticle;
34public:
35 unsigned char AdaptiveOrder; //!< current present bond order at site (0 means "not set")
36 bool MaxOrder; //!< whether this atom as a root in fragmentation still creates more fragments on higher orders or not
37
38 BondedParticleInfo();
39 virtual ~BondedParticleInfo();
40
41 /** Const accessor to ListOfBonds of WorldTime::CurrentTime.
42 *
43 * @return ListOfBonds[WorldTime::CurrentTime]
44 */
45 const BondList& getListOfBonds() const;
46 /** Accessor to ListOfBonds of WorldTime::CurrentTime.
47 *
48 * Note, new empty BondList is returned if array entry at upper boundary is
49 * accessed. Beyond std will issue exception due to out-of-range access.
50 *
51 * @return ListOfBonds[WorldTime::CurrentTime]
52 */
53 BondList& getListOfBonds();
54
55 /** Const Accessor ListOfBonds of any present time step.
56 *
57 * @param _step time step to access
58 * @return ListOfBonds[_step].
59 */
60 const BondList& getListOfBondsAtStep(unsigned int _step) const;
61 /** Accessor ListOfBonds of any present time step.
62 *
63 * Note, new empty BondList is returned if array entry at upper boundary is
64 * accessed. Beyond std will issue exception due to out-of-range access.
65 *
66 * @param _step time step to access
67 * @return ListOfBonds[_step].
68 */
69 BondList& getListOfBondsAtStep(unsigned int _step);
70
71protected:
72 std::vector<BondList> ListOfBonds; //!< list of all bonds
73
74};
75
76
77#endif /* ATOM_BONDEDPARTICLEINFO_HPP_ */
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