source: src/Actions/UndoRedoHelpers.cpp@ 361805

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Last change on this file since 361805 was 8ea3e7, checked in by Frederik Heber <heber@…>, 13 years ago

CopyMolecule can now copy all currently selected molecules.

  • this is both removal of molecule as parameter and enhancing the Action.
  • also we added new UndoRedoHelper RemoveMoleculesWithAtomsByIds.
  • CopyMoleculeAction::performRedo() simply calls performCall() which is now possible due to new parameter structure.
  • TESTFIX: as we no longer specify the molecule to copy as argument of copy-molecule, regression test Molecules/Copy has been changed to prior select-molecule-by-id.
  • Property mode set to 100644
File size: 4.2 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2012 University of Bonn. All rights reserved.
5 * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
6 */
7
8/*
9 * UndoRedoHelpers.cpp
10 *
11 * Created on: Apr 5, 2012
12 * Author: heber
13 */
14
15
16// include config.h
17#ifdef HAVE_CONFIG_H
18#include <config.h>
19#endif
20
21#include "CodePatterns/MemDebug.hpp"
22
23#include "UndoRedoHelpers.hpp"
24
25#include <boost/foreach.hpp>
26
27#include "Atom/atom.hpp"
28#include "molecule.hpp"
29#include "Descriptors/AtomIdDescriptor.hpp"
30#include "Descriptors/MoleculeIdDescriptor.hpp"
31#include "CodePatterns/Assert.hpp"
32#include "CodePatterns/Log.hpp"
33#include "World.hpp"
34
35bool MoleCuilder::AddAtomsFromAtomicInfo(std::vector<AtomicInfo> &atoms)
36{
37 size_t i=0;
38 for (; i<atoms.size(); ++i) {
39 // re-create the atom
40 LOG(3, "DEBUG: Re-adding atom " << atoms[i].getId() << ".");
41 atom *Walker = World::getInstance().createAtom();
42 if (!atoms[i].setAtom(*Walker)) {
43 ELOG(1, "Failed to set id.");
44 World::getInstance().destroyAtom(Walker);
45 break;
46 }
47 }
48 if (i<atoms.size()) {
49 // remove all previous ones, too
50 for (size_t j=0;j<i;++j)
51 World::getInstance().destroyAtom(atoms[j].getId());
52 // and announce the failure
53 return false;
54 }
55 return true;
56}
57
58void MoleCuilder::RemoveAtomsFromAtomicInfo(std::vector<AtomicInfo> &atoms)
59{
60 BOOST_FOREACH(const AtomicInfo &_atom, atoms) {
61 World::getInstance().destroyAtom(_atom.getId());
62 }
63}
64
65void MoleCuilder::StoreBondInformationFromAtoms(
66 const std::vector<const atom*> &atoms,
67 std::vector< BondInfo > &bonds)
68{
69 ASSERT( bonds.empty(),
70 "StoreBondInformationFromAtoms() - give bonds vector is not empty.");
71 bonds.reserve(atoms.size()*4);
72 for (std::vector<const atom*>::const_iterator atomiter = atoms.begin();
73 atomiter != atoms.end(); ++atomiter) {
74 const BondList & _atom_bonds = (*atomiter)->getListOfBonds();
75 for(BondList::const_iterator iter = _atom_bonds.begin(); iter != _atom_bonds.end(); ++iter)
76 bonds.push_back( BondInfo(*iter) );
77 }
78}
79
80bool MoleCuilder::AddBondsFromBondInfo(const std::vector< BondInfo > &bonds)
81{
82 bool status = true;
83 for(std::vector< BondInfo >::const_iterator iter = bonds.begin();
84 iter != bonds.end(); ++iter)
85 if (!(*iter).RecreateBond())
86 status = false;
87 return status;
88}
89
90void MoleCuilder::SetAtomsFromAtomicInfo(std::vector<AtomicInfo> &movedatoms)
91{
92 BOOST_FOREACH( const AtomicInfo &_atominfo, movedatoms) {
93 const atomId_t id = _atominfo.getId();
94 atom * const _atom = World::getInstance().getAtom(AtomById(id));
95 ASSERT( _atom != NULL,
96 "MoleCuilder::SetAtomsFromAtomicInfo() - cannot find atom with id "
97 +toString(id)+" in the world.");
98 _atominfo.setAtom( *_atom );
99 }
100}
101
102void MoleCuilder::SelectAtomsFromAtomicInfo(std::vector<AtomicInfo> &movedatoms)
103{
104 BOOST_FOREACH( const AtomicInfo &_atominfo, movedatoms) {
105 const atomId_t id = _atominfo.getId();
106 World::getInstance().selectAtom(id);
107 }
108}
109
110void MoleCuilder::ResetAtomPosition(const std::vector<AtomicInfo> &movedatoms, const std::vector<Vector> &MovedToVector)
111{
112 std::vector<Vector>::const_iterator positer = MovedToVector.begin();
113 ASSERT(movedatoms.size() == MovedToVector.size(),
114 "MoleCuilder::ResetAtomPosition() - the number of atoms "
115 +toString(movedatoms.size())+" and the number of positions "
116 +toString(MovedToVector.size())+" is not the same.");
117 BOOST_FOREACH( const AtomicInfo &_atominfo, movedatoms) {
118 const atomId_t id = _atominfo.getId();
119 atom * const _atom = World::getInstance().getAtom(AtomById(id));
120 ASSERT( _atom != NULL,
121 "FillSphericalSurfaceAction::performRedo() - cannot find atom with id "
122 +toString(id)+" in the world.");
123 _atom->setPosition( *positer );
124 ++positer;
125 }
126}
127
128void MoleCuilder::RemoveMoleculesWithAtomsByIds(const std::vector<moleculeId_t> &ids)
129{
130 for (std::vector<moleculeId_t>::const_iterator iter = ids.begin();
131 iter != ids.end(); ++iter) {
132 molecule * const mol = World::getInstance().getMolecule(MoleculeById(*iter));
133 if (mol != NULL) {
134 mol->removeAtomsinMolecule();
135 World::getInstance().destroyMolecule(mol);
136 }
137 }
138}
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