[bcf653] | 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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[97ebf8] | 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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[bf3817] | 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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[112b09] | 20 | #include "Helpers/MemDebug.hpp"
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| 21 |
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[97ebf8] | 22 | #include "Actions/AtomAction/ChangeElementAction.hpp"
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[0430e3] | 23 | #include "Actions/ActionRegistry.hpp"
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[f8456c] | 24 | #include "Descriptors/AtomIdDescriptor.hpp"
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[97ebf8] | 25 | #include "atom.hpp"
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[023971] | 26 | #include "element.hpp"
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[952f38] | 27 | #include "Helpers/Log.hpp"
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[57f243] | 28 | #include "LinearAlgebra/Vector.hpp"
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[952f38] | 29 | #include "Helpers/Verbose.hpp"
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[dddbfe] | 30 | #include "molecule.hpp"
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[97ebf8] | 31 | #include "World.hpp"
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| 32 |
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| 33 | #include <iostream>
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[f8456c] | 34 | #include <map>
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[97ebf8] | 35 | #include <string>
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| 36 |
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| 37 | using namespace std;
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| 38 |
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| 39 | #include "UIElements/UIFactory.hpp"
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| 40 | #include "UIElements/Dialog.hpp"
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[861874] | 41 | #include "Actions/ValueStorage.hpp"
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[97ebf8] | 42 |
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[f8456c] | 43 | typedef std::map<int, const element *> ElementMap;
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| 44 |
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| 45 | // memento to remember the state when undoing
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| 46 |
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| 47 | class AtomChangeElementState : public ActionState {
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| 48 | public:
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| 49 | AtomChangeElementState(ElementMap _Elements, const element *_elemental) :
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| 50 | Elements(_Elements),
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| 51 | elemental(_elemental)
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| 52 | {}
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| 53 | ElementMap Elements;
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| 54 | const element *elemental;
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| 55 | };
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| 56 |
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[97ebf8] | 57 | const char AtomChangeElementAction::NAME[] = "change-element";
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| 58 |
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| 59 | AtomChangeElementAction::AtomChangeElementAction() :
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| 60 | Action(NAME)
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| 61 | {}
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| 62 |
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| 63 | AtomChangeElementAction::~AtomChangeElementAction()
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| 64 | {}
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| 65 |
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[1a8fbf6] | 66 | void AtomChangeElement(element *elemental) {
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| 67 | ValueStorage::getInstance().setCurrentValue(AtomChangeElementAction::NAME, elemental);
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| 68 | ActionRegistry::getInstance().getActionByName(AtomChangeElementAction::NAME)->call(Action::NonInteractive);
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| 69 | };
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| 70 |
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[047878] | 71 | Dialog* AtomChangeElementAction::fillDialog(Dialog *dialog) {
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| 72 | ASSERT(dialog,"No Dialog given when filling action dialog");
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[454065] | 73 |
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| 74 | dialog->queryElement(NAME, ValueStorage::getInstance().getDescription(NAME));
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| 75 |
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| 76 | return dialog;
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| 77 | }
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| 78 |
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| 79 | Action::state_ptr AtomChangeElementAction::performCall() {
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[97ebf8] | 80 | atom *first = NULL;
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[b5c53d] | 81 | const element *elemental;
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[dddbfe] | 82 | molecule *mol = NULL;
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[97ebf8] | 83 |
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[8d4100] | 84 | ValueStorage::getInstance().queryCurrentValue(NAME, elemental);
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[97ebf8] | 85 |
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[f8456c] | 86 | // create undo state
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| 87 | ElementMap Elements;
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| 88 | for (World::AtomSelectionIterator iter = World::getInstance().beginAtomSelection(); iter != World::getInstance().endAtomSelection(); ++iter) {
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| 89 | Elements.insert(std::pair<int, const element *> (iter->second->getId(), iter->second->getType()));
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| 90 | }
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| 91 | AtomChangeElementState *UndoState = new AtomChangeElementState(Elements, elemental);
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| 92 |
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[454065] | 93 | for (World::AtomSelectionIterator iter = World::getInstance().beginAtomSelection(); iter != World::getInstance().endAtomSelection(); ++iter) {
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| 94 | first = iter->second;
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[2fe971] | 95 | DoLog(1) && (Log() << Verbose(1) << "Changing atom " << *first << " to element " << *elemental << "." << endl);
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[dddbfe] | 96 | mol = first->getMolecule();
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| 97 | first->removeFromMolecule(); // remove atom
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[d74077] | 98 | first->setType(elemental);
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[dddbfe] | 99 | mol->AddAtom(first); // add atom to ensure correctness of formula
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[454065] | 100 | }
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[f8456c] | 101 | return Action::state_ptr(UndoState);
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[97ebf8] | 102 | }
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| 103 |
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| 104 | Action::state_ptr AtomChangeElementAction::performUndo(Action::state_ptr _state) {
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[f8456c] | 105 | AtomChangeElementState *state = assert_cast<AtomChangeElementState*>(_state.get());
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| 106 | atom *first = NULL;
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| 107 | molecule *mol = NULL;
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[97ebf8] | 108 |
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[f8456c] | 109 | for(ElementMap::const_iterator iter = state->Elements.begin(); iter != state->Elements.end(); ++iter) {
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| 110 | first = World::getInstance().getAtom(AtomById(iter->first));
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| 111 | mol = first->getMolecule();
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| 112 | first->removeFromMolecule(); // remove atom
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| 113 | first->setType(iter->second);
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| 114 | mol->AddAtom(first); // add atom to ensure correctness of formula
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| 115 | }
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| 116 |
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| 117 | return Action::state_ptr(_state);
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[97ebf8] | 118 | }
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| 119 |
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| 120 | Action::state_ptr AtomChangeElementAction::performRedo(Action::state_ptr _state){
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[f8456c] | 121 | AtomChangeElementState *state = assert_cast<AtomChangeElementState*>(_state.get());
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| 122 | atom *first = NULL;
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| 123 | molecule *mol = NULL;
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| 124 |
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| 125 | for(ElementMap::const_iterator iter = state->Elements.begin(); iter != state->Elements.end(); ++iter) {
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| 126 | first = World::getInstance().getAtom(AtomById(iter->first));
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| 127 | mol = first->getMolecule();
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| 128 | first->removeFromMolecule(); // remove atom
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| 129 | first->setType(state->elemental);
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| 130 | mol->AddAtom(first); // add atom to ensure correctness of formula
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| 131 | }
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| 132 |
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| 133 | return Action::state_ptr(_state);
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[97ebf8] | 134 | }
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| 135 |
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| 136 | bool AtomChangeElementAction::canUndo() {
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[f8456c] | 137 | return true;
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[97ebf8] | 138 | }
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| 139 |
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| 140 | bool AtomChangeElementAction::shouldUndo() {
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[f8456c] | 141 | return true;
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[97ebf8] | 142 | }
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| 143 |
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| 144 | const string AtomChangeElementAction::getName() {
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| 145 | return NAME;
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| 146 | }
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