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) 2010-2012 University of Bonn. All rights reserved.
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5 | *
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6 | *
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7 | * This file is part of MoleCuilder.
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8 | *
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9 | * MoleCuilder is free software: you can redistribute it and/or modify
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10 | * it under the terms of the GNU General Public License as published by
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11 | * the Free Software Foundation, either version 2 of the License, or
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12 | * (at your option) any later version.
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13 | *
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14 | * MoleCuilder is distributed in the hope that it will be useful,
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15 | * but WITHOUT ANY WARRANTY; without even the implied warranty of
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16 | * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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17 | * GNU General Public License for more details.
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18 | *
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19 | * You should have received a copy of the GNU General Public License
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20 | * along with MoleCuilder. If not, see <http://www.gnu.org/licenses/>.
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21 | */
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22 |
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23 | /*
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24 | * ManipulateAtomsProcess.cpp
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25 | *
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26 | * Created on: Feb 18, 2010
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27 | * Author: crueger
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28 | */
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29 |
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30 | // include config.h
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31 | #ifdef HAVE_CONFIG_H
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32 | #include <config.h>
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33 | #endif
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34 |
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35 | #include "CodePatterns/MemDebug.hpp"
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36 |
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37 | #include "ManipulateAtomsProcess.hpp"
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38 |
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39 | #include <iostream>
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40 |
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41 | #include "World.hpp"
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42 | #include "CodePatterns/Assert.hpp"
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43 |
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44 | using namespace MoleCuilder;
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45 |
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46 | ManipulateAtomsProcess::ManipulateAtomsProcess(
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47 | boost::function<void(atom*)> _operation,
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48 | AtomDescriptor _descr,
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49 | const ActionTrait &_trait) :
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50 | Process(_trait),
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51 | descr(_descr),
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52 | operation(_operation)
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53 | {}
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54 |
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55 | ManipulateAtomsProcess::~ManipulateAtomsProcess()
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56 | {}
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57 |
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58 | Dialog* ManipulateAtomsProcess::fillDialog(Dialog *dialog){
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59 | ASSERT(dialog,"No Dialog given when filling action dialog");
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60 | return dialog;
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61 | }
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62 |
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63 | ActionState::ptr ManipulateAtomsProcess::performCall(){
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64 | World::getInstance().doManipulate(this);
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65 | return Action::success;
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66 | }
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67 |
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68 | ActionState::ptr ManipulateAtomsProcess::performUndo(ActionState::ptr){
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69 | ASSERT(0,"Undo called for a ManipulateAtomsProcess");
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70 | return Action::success;
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71 | }
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72 |
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73 | ActionState::ptr ManipulateAtomsProcess::performRedo(ActionState::ptr){
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74 | ASSERT(0,"Redo called for a ManipulateAtomsProcess");
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75 | return Action::success;
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76 | }
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77 |
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78 | bool ManipulateAtomsProcess::canUndo(){
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79 | return false;
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80 | }
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81 |
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82 | bool ManipulateAtomsProcess::shouldUndo(){
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83 | return true;
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84 | }
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85 |
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86 | void ManipulateAtomsProcess::outputAsCLI(std::ostream &ost) const
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87 | {}
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88 |
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89 | void ManipulateAtomsProcess::outputAsPython(std::ostream &ost, const std::string &prefix) const
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90 | {}
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91 |
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92 | void ManipulateAtomsProcess::setOptionValue(const std::string &_token, const std::string &_value)
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93 | {}
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94 |
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95 | void ManipulateAtomsProcess::doManipulate(World *world){
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96 | setMaxSteps(world->numAtoms());
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97 | start();
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98 | for(World::internal_AtomIterator
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99 | iter=world->getAtomIter_internal(descr);
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100 | iter!=world->atomEnd_internal();
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101 | ++iter){
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102 |
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103 | setCurrStep(iter.getCount());
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104 | operation(*iter);
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105 | }
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106 | stop();
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107 | }
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108 |
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109 | Action* ManipulateAtomsProcess::clone(enum QueryOptions flag) const
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110 | {
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111 | if (flag == Interactive)
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112 | return new ManipulateAtomsProcess(operation, descr, Traits);
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113 | else
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114 | return new ManipulateAtomsProcess(*this);
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115 | }
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