1 | /*
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2 | * Project: MoleCuilder
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3 | * Description: creates and alters molecular systems
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4 | * Copyright (C) 2012 University of Bonn. All rights reserved.
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5 | * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
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6 | */
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7 |
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8 | /*
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9 | * UndoRedoHelpers.cpp
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10 | *
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11 | * Created on: Apr 5, 2012
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12 | * Author: heber
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13 | */
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14 |
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15 |
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16 | // include config.h
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17 | #ifdef HAVE_CONFIG_H
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18 | #include <config.h>
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19 | #endif
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20 |
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21 | #include "CodePatterns/MemDebug.hpp"
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22 |
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23 | #include "UndoRedoHelpers.hpp"
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24 |
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25 | #include <boost/foreach.hpp>
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26 |
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27 | #include "Atom/atom.hpp"
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28 | #include "Descriptors/AtomIdDescriptor.hpp"
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29 | #include "CodePatterns/Assert.hpp"
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30 | #include "CodePatterns/Log.hpp"
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31 | #include "World.hpp"
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32 |
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33 | bool MoleCuilder::AddAtomsFromAtomicInfo(std::vector<AtomicInfo> &atoms)
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34 | {
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35 | size_t i=0;
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36 | for (; i<atoms.size(); ++i) {
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37 | // re-create the atom
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38 | LOG(1, "Re-adding atom " << atoms[i].getId() << ".");
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39 | atom *Walker = World::getInstance().createAtom();
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40 | if (!atoms[i].setAtom(*Walker)) {
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41 | ELOG(1, "Failed to set id.");
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42 | World::getInstance().destroyAtom(Walker);
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43 | break;
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44 | }
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45 | }
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46 | if (i<atoms.size()) {
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47 | // remove all previous ones, too
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48 | for (size_t j=0;j<i;++j)
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49 | World::getInstance().destroyAtom(atoms[j].getId());
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50 | // and announce the failure
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51 | return false;
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52 | }
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53 | return true;
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54 | }
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55 |
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56 | void MoleCuilder::RemoveAtomsFromAtomicInfo(std::vector<AtomicInfo> &atoms)
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57 | {
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58 | BOOST_FOREACH(const AtomicInfo &_atom, atoms) {
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59 | World::getInstance().destroyAtom(_atom.getId());
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60 | }
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61 | }
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62 |
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63 | void MoleCuilder::SetAtomsFromAtomicInfo(std::vector<AtomicInfo> &movedatoms)
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64 | {
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65 | BOOST_FOREACH( const AtomicInfo &_atominfo, movedatoms) {
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66 | const atomId_t id = _atominfo.getId();
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67 | atom * const _atom = World::getInstance().getAtom(AtomById(id));
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68 | ASSERT( _atom != NULL,
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69 | "MoleCuilder::SetAtomsFromAtomicInfo() - cannot find atom with id "
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70 | +toString(id)+" in the world.");
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71 | _atominfo.setAtom( *_atom );
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72 | }
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73 | }
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74 |
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75 | void MoleCuilder::SelectAtomsFromAtomicInfo(std::vector<AtomicInfo> &movedatoms)
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76 | {
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77 | BOOST_FOREACH( const AtomicInfo &_atominfo, movedatoms) {
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78 | const atomId_t id = _atominfo.getId();
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79 | World::getInstance().selectAtom(id);
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80 | }
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81 | }
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82 |
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83 | void MoleCuilder::ResetAtomPosition(const std::vector<AtomicInfo> &movedatoms, const std::vector<Vector> &MovedToVector)
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84 | {
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85 | std::vector<Vector>::const_iterator positer = MovedToVector.begin();
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86 | ASSERT(movedatoms.size() == MovedToVector.size(),
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87 | "MoleCuilder::ResetAtomPosition() - the number of atoms "
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88 | +toString(movedatoms.size())+" and the number of positions "
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89 | +toString(MovedToVector.size())+" is not the same.");
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90 | BOOST_FOREACH( const AtomicInfo &_atominfo, movedatoms) {
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91 | const atomId_t id = _atominfo.getId();
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92 | atom * const _atom = World::getInstance().getAtom(AtomById(id));
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93 | ASSERT( _atom != NULL,
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94 | "FillSphericalSurfaceAction::performRedo() - cannot find atom with id "
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95 | +toString(id)+" in the world.");
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96 | _atom->setPosition( *positer );
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97 | ++positer;
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98 | }
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99 | }
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