source: src/atom_bondedparticleinfo.hpp@ db7e6d

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Last change on this file since db7e6d was 7188b1, checked in by Frederik Heber <heber@…>, 14 years ago

Introduced atom_observables and GLWorldView observes World, GLMoleculeObject_atom observes its atom.

Observer changes:

  • new Channels pattern required from CodePatterns 1.1.5 and that Observable signing on and off is now with const instance possible.
  • class atom is now observable, encapsulated in class AtomObservable:
    • enums have notification types
    • we use NotificationChannels of Observable to emit these distinct types.
  • atominfo, particleinfo, bondedparticleinfo all have OBSERVE and NOTIFY(..) in their setter functions (thx encapsulation).
  • class GLMoleculeObject_atom signs on to atom to changes to position, element, and index.
  • World equally has notifications for atom (new,remove) and molecules (new, remove).
  • GLWorldView now observes World for these changes.

Other changes:

  • removed additional hierarchy level for GLWidget of molecules (i.e. GLMoleculeScene removed and incorporated into GLWorldScene).
  • Property mode set to 100644
File size: 2.6 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
23#include <list>
24
25/****************************************** forward declarations *****************************/
26
27class bond;
28class BondedParticle;
29
30#define BondList list<bond *>
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 /** Accessor to ListOfBonds of WorldTime::CurrentTime.
57 *
58 * Note, new empty BondList is returned if array entry at upper boundary is
59 * accessed. Beyond std will issue exception due to out-of-range access.
60 *
61 * @return ListOfBonds[WorldTime::CurrentTime]
62 */
63 BondList& getListOfBonds();
64
65 /** Const Accessor ListOfBonds of any present time step.
66 *
67 * @param _step time step to access
68 * @return ListOfBonds[_step].
69 */
70 const BondList& getListOfBondsAtStep(unsigned int _step) const;
71 /** Accessor ListOfBonds of any present time step.
72 *
73 * Note, new empty BondList is returned if array entry at upper boundary is
74 * accessed. Beyond std will issue exception due to out-of-range access.
75 *
76 * @param _step time step to access
77 * @return ListOfBonds[_step].
78 */
79 BondList& getListOfBondsAtStep(unsigned int _step);
80
81protected:
82 /** Function used by this and inheriting classes to extend the ListOfBonds
83 * vector.
84 */
85 void AppendTrajectoryStep();
86
87 std::vector<BondList> ListOfBonds; //!< list of all bonds
88
89};
90
91
92#endif /* ATOM_BONDEDPARTICLEINFO_HPP_ */
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