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) 2010 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 | * ChangeElementAction.cpp
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10 | *
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11 | * Created on: May 9, 2010
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12 | * Author: heber
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13 | */
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14 |
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15 | // include config.h
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16 | #ifdef HAVE_CONFIG_H
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17 | #include <config.h>
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18 | #endif
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19 |
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20 | #include "Helpers/MemDebug.hpp"
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21 |
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22 | #include "Descriptors/AtomIdDescriptor.hpp"
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23 | #include "atom.hpp"
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24 | #include "element.hpp"
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25 | #include "Helpers/Log.hpp"
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26 | #include "LinearAlgebra/Vector.hpp"
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27 | #include "Helpers/Verbose.hpp"
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28 | #include "molecule.hpp"
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29 | #include "World.hpp"
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30 |
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31 | #include <iostream>
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32 | #include <map>
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33 | #include <string>
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34 |
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35 | using namespace std;
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36 |
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37 | #include "Actions/AtomAction/ChangeElementAction.hpp"
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38 |
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39 | // and construct the stuff
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40 | #include "ChangeElementAction.def"
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41 | #include "Action_impl_pre.hpp"
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42 | /** =========== define the function ====================== */
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43 | Action::state_ptr AtomChangeElementAction::performCall() {
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44 | atom *first = NULL;
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45 | molecule *mol = NULL;
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46 |
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47 | // obtain information
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48 | getParametersfromValueStorage();
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49 |
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50 | // create undo state
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51 | ElementMap Elements;
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52 | for (World::AtomSelectionIterator iter = World::getInstance().beginAtomSelection(); iter != World::getInstance().endAtomSelection(); ++iter) {
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53 | Elements.insert(std::pair<int, const element *> (iter->second->getId(), iter->second->getType()));
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54 | }
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55 | AtomChangeElementState *UndoState = new AtomChangeElementState(Elements, params);
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56 |
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57 | for (World::AtomSelectionIterator iter = World::getInstance().beginAtomSelection(); iter != World::getInstance().endAtomSelection(); ++iter) {
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58 | first = iter->second;
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59 | DoLog(1) && (Log() << Verbose(1) << "Changing atom " << *first << " to element " << *params.elemental << "." << endl);
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60 | mol = first->getMolecule();
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61 | first->removeFromMolecule(); // remove atom
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62 | first->setType(params.elemental);
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63 | mol->AddAtom(first); // add atom to ensure correctness of formula
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64 | }
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65 | return Action::state_ptr(UndoState);
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66 | }
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67 |
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68 | Action::state_ptr AtomChangeElementAction::performUndo(Action::state_ptr _state) {
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69 | AtomChangeElementState *state = assert_cast<AtomChangeElementState*>(_state.get());
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70 | atom *first = NULL;
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71 | molecule *mol = NULL;
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72 |
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73 | for(ElementMap::const_iterator iter = state->Elements.begin(); iter != state->Elements.end(); ++iter) {
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74 | first = World::getInstance().getAtom(AtomById(iter->first));
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75 | mol = first->getMolecule();
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76 | first->removeFromMolecule(); // remove atom
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77 | first->setType(iter->second);
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78 | mol->AddAtom(first); // add atom to ensure correctness of formula
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79 | }
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80 |
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81 | return Action::state_ptr(_state);
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82 | }
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83 |
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84 | Action::state_ptr AtomChangeElementAction::performRedo(Action::state_ptr _state){
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85 | AtomChangeElementState *state = assert_cast<AtomChangeElementState*>(_state.get());
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86 | atom *first = NULL;
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87 | molecule *mol = NULL;
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88 |
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89 | for(ElementMap::const_iterator iter = state->Elements.begin(); iter != state->Elements.end(); ++iter) {
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90 | first = World::getInstance().getAtom(AtomById(iter->first));
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91 | mol = first->getMolecule();
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92 | first->removeFromMolecule(); // remove atom
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93 | first->setType(state->params.elemental);
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94 | mol->AddAtom(first); // add atom to ensure correctness of formula
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95 | }
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96 |
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97 | return Action::state_ptr(_state);
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98 | }
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99 |
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100 | bool AtomChangeElementAction::canUndo() {
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101 | return true;
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102 | }
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103 |
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104 | bool AtomChangeElementAction::shouldUndo() {
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105 | return true;
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106 | }
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107 | /** =========== end of function ====================== */
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