source: src/Actions/UndoRedoHelpers.hpp@ d7cad1

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Last change on this file since d7cad1 was 8cc22f, checked in by Frederik Heber <heber@…>, 10 years ago

Changed how trajectories are stored, not as vecor but as map.

  • Property mode set to 100644
File size: 4.5 KB
Line 
1/*
2 * UndoRedoHelpers.hpp
3 *
4 * Created on: Apr 5, 2012
5 * Author: heber
6 */
7
8#ifndef UNDOREDOHELPERS_HPP_
9#define UNDOREDOHELPERS_HPP_
10
11
12// include config.h
13#ifdef HAVE_CONFIG_H
14#include <config.h>
15#endif
16
17#include <vector>
18
19#include "Atom/AtomicInfo.hpp"
20#include "Bond/BondInfo.hpp"
21
22namespace MoleCuilder {
23
24 /** Adds removed atoms back to the world whose state is stored as AtomicInfo.
25 *
26 * @param atoms vector of atomicInfo
27 * @return restoral was successful, at least atom could not be restored.
28 */
29 bool AddAtomsFromAtomicInfo(std::vector<AtomicInfo> &atoms);
30
31 /** Removes atoms whose state information is stored as AtomicInfo.
32 *
33 * @param atoms vector of atomicInfo
34 */
35 void RemoveAtomsFromAtomicInfo(std::vector<AtomicInfo> &atoms);
36
37 /** Stores the required bond information in for all \a atoms in \a bonds.
38 *
39 * @param atoms atoms whose bonds to store
40 * @param bonds vector with bond information on return
41 */
42 void StoreBondInformationFromAtoms(
43 const std::vector<const atom*> &atoms,
44 std::vector<BondInfo> &bonds);
45
46 /** Recreates bonds from information stored in \a bonds.
47 *
48 * @param bonds bond state information
49 * @return true - all bonds restored, false - at least one bond could not be restored
50 */
51 bool AddBondsFromBondInfo(const std::vector< BondInfo > &bonds);
52
53 /** Sets atoms to state information stored as AtomicInfo.
54 *
55 * @param movedatoms vector of atomicInfo
56 */
57 void SetAtomsFromAtomicInfo(const std::vector<AtomicInfo> &_movedatoms);
58
59 /** Selects all atoms inside the given vector
60 *
61 * @param movedatoms vector of atomicInfo
62 */
63 void SelectAtomsFromAtomicInfo(const std::vector<AtomicInfo> &_movedatoms);
64
65 /** Helper function to allow setting arbitrary atom vectorial information via some
66 * \a setter function.
67 *
68 * @param movedatoms atoms whose info to change
69 * @param MovedToVector vector with old vectorial information
70 */
71 void ResetByFunction(
72 const std::vector<AtomicInfo> &movedatoms,
73 const std::vector<Vector> &MovedToVector,
74 boost::function<void(atom *, const Vector&)> &setter);
75
76 /** Sets the atoms whose id is stored in given AtomicInfo in \a movedatoms
77 * to position in \a MovedToVector.
78 *
79 * @param movedatoms atoms whose position to change
80 * @param MovedToVector vector with old positions
81 */
82 void ResetAtomPosition(const std::vector<AtomicInfo> &movedatoms, const std::vector<Vector> &MovedToVector);
83
84 /** Sets the atoms whose id is stored in given AtomicInfo in \a movedatoms
85 * to position in \a MovedToVector.
86 *
87 * @param movedatoms atoms whose position to change
88 * @param VelocityVector vector with old velocities
89 */
90 void ResetAtomVelocity(const std::vector<AtomicInfo> &movedatoms, const std::vector<Vector> &VelocityVector);
91
92 /** Sets the atoms whose id is stored in given AtomicInfo in \a movedatoms
93 * to position in \a MovedToVector.
94 *
95 * @param movedatoms atoms whose position to change
96 * @param ForceVector vector with old forces
97 */
98 void ResetAtomForce(const std::vector<AtomicInfo> &movedatoms, const std::vector<Vector> &ForceVector);
99
100 /** Remove all molecules identified by their ids given in \a ids.
101 *
102 * @param ids vector of molecular ids to remove
103 */
104 void RemoveMoleculesWithAtomsByIds(const std::vector<moleculeId_t> &ids);
105
106 /** Removes the last time step for all \a movedatoms
107 *
108 * @param movedatoms atoms whose last step in time to remove
109 * @param _step which trajectory to remove
110 */
111 void removeLastStep(const std::vector<atomId_t> &movedatoms, const unsigned int _step);
112
113 /** Adds another time step to all \a movedatoms.
114 *
115 * Note that the time step is initialized to zero.
116 *
117 * @param _ids atoms whose last step in time to remove
118 * @param _step which trajectory to insert/assign
119 */
120 void addNewStep(const std::vector<atomId_t> &_ids, const unsigned int _step);
121
122 /** Adds another time step to all \a movedatoms.
123 *
124 * Note that the time step is initialized to zero. This gives you a chance
125 * to set the time step and call setAtomsFromAtomicInfo() yourself.
126 *
127 * @param _movedatoms atoms whose last step in time to remove
128 * @param _step which trajectory to insert/assign
129 */
130 void addNewStep(const std::vector<AtomicInfo> &_movedatoms, const unsigned int _step);
131
132 /** Helper function to extract id information from vector of AtomicInfo.
133 *
134 * @param movedatoms atoms whose ids to extract
135 */
136 std::vector<atomId_t> getIdsFromAtomicInfo(const std::vector<AtomicInfo> &movedatoms);
137}
138
139
140
141#endif /* UNDOREDOHELPERS_HPP_ */
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