source: src/Atom/atom_bondedparticleinfo.hpp@ 88c8ec

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Last change on this file since 88c8ec was 88c8ec, checked in by Frederik Heber <heber@…>, 12 years ago

REFACTOR: Replaced all "bond *" appearances by bond::ptr.

  • this is preparatory for making bond::ptr a boost::shared_ptr of bond.
  • NOTE: We had to remove a const prefix at four or five places and forward declarations had to be replaced by the true inclusion of bond.hpp at tne or so files. Apart from that, the replacement has been very smooth.
  • Property mode set to 100644
File size: 2.7 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 "atom_observable.hpp"
22#include "Bond/bond.hpp"
23
24#include <list>
25
26/****************************************** forward declarations *****************************/
27
28class BondedParticle;
29
30#define BondList list<bond::ptr >
31
32/********************************************** declarations *******************************/
33
34class BondedParticleInfo : public virtual AtomObservable {
35 friend class BondedParticle;
36public:
37 unsigned char AdaptiveOrder; //!< current present bond order at site (0 means "not set")
38 bool MaxOrder; //!< whether this atom as a root in fragmentation still creates more fragments on higher orders or not
39
40 BondedParticleInfo();
41 virtual ~BondedParticleInfo();
42
43 /** Pushes back another step in all trajectory vectors.
44 *
45 * This allows to extend all trajectories contained in different classes
46 * consistently. This is implemented by the topmost class which calls the
47 * real functions, \sa AppendTrajectoryStep(), by all necessary subclasses.
48 */
49 virtual void UpdateSteps()=0;
50
51 /** Const accessor to ListOfBonds of WorldTime::CurrentTime.
52 *
53 * @return ListOfBonds[WorldTime::CurrentTime]
54 */
55 const BondList& getListOfBonds() const;
56
57 /** Accessor to ListOfBonds of WorldTime::CurrentTime.
58 *
59 * Note, new empty BondList is returned if array entry at upper boundary is
60 * accessed. Beyond std will issue exception due to out-of-range access.
61 *
62 * @return ListOfBonds[WorldTime::CurrentTime]
63 */
64// BondList& getListOfBonds();
65
66 /** Const Accessor ListOfBonds of any present time step.
67 *
68 * @param _step time step to access
69 * @return ListOfBonds[_step].
70 */
71 const BondList& getListOfBondsAtStep(unsigned int _step) const;
72
73 /** Accessor ListOfBonds of any present time step.
74 *
75 * Note, new empty BondList is returned if array entry at upper boundary is
76 * accessed. Beyond std will issue exception due to out-of-range access.
77 *
78 * @param _step time step to access
79 * @return ListOfBonds[_step].
80 */
81// BondList& getListOfBondsAtStep(unsigned int _step);
82
83protected:
84 /** Function used by this and inheriting classes to extend the ListOfBonds
85 * vector.
86 */
87 void AppendTrajectoryStep();
88
89 std::vector<BondList> ListOfBonds; //!< list of all bonds
90 static BondList emptyList; //!< empty list to return when step is not present
91};
92
93
94#endif /* ATOM_BONDEDPARTICLEINFO_HPP_ */
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