| [bcf653] | 1 | /* | 
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|  | 2 | * Project: MoleCuilder | 
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|  | 3 | * Description: creates and alters molecular systems | 
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| [0aa122] | 4 | * Copyright (C)  2010-2012 University of Bonn. All rights reserved. | 
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| [94d5ac6] | 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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| [bcf653] | 21 | */ | 
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|  | 22 |  | 
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| [b2cfdb] | 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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| [bf3817] | 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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| [ad011c] | 35 | #include "CodePatterns/MemDebug.hpp" | 
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| [112b09] | 36 |  | 
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| [b2cfdb] | 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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| [6e97e5] | 41 | #include "World.hpp" | 
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| [ad011c] | 42 | #include "CodePatterns/Assert.hpp" | 
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| [6e97e5] | 43 |  | 
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| [ce7fdc] | 44 | using namespace MoleCuilder; | 
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| [b2cfdb] | 45 |  | 
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| [e4afb4] | 46 | ManipulateAtomsProcess::ManipulateAtomsProcess( | 
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|  | 47 | boost::function<void(atom*)> _operation, | 
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|  | 48 | AtomDescriptor _descr, | 
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| [126867] | 49 | const ActionTrait &_trait) : | 
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| [c09f94] | 50 | Process(_trait), | 
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| [b2cfdb] | 51 | descr(_descr), | 
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| [24a5e0] | 52 | operation(_operation) | 
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| [b2cfdb] | 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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| [047878] | 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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| [80951de] | 61 | } | 
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|  | 62 |  | 
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| [b5b01e] | 63 | ActionState::ptr ManipulateAtomsProcess::performCall(){ | 
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| [23b547] | 64 | World::getInstance().doManipulate(this); | 
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| [67e2b3] | 65 | return Action::success; | 
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| [b2cfdb] | 66 | } | 
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|  | 67 |  | 
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| [b5b01e] | 68 | ActionState::ptr ManipulateAtomsProcess::performUndo(ActionState::ptr){ | 
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| [67e2b3] | 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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| [b2cfdb] | 72 |  | 
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| [b5b01e] | 73 | ActionState::ptr ManipulateAtomsProcess::performRedo(ActionState::ptr){ | 
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| [67e2b3] | 74 | ASSERT(0,"Redo called for a ManipulateAtomsProcess"); | 
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|  | 75 | return Action::success; | 
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| [b2cfdb] | 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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| [afb47f] | 81 |  | 
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| [67e2b3] | 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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| [46b181] | 86 | void ManipulateAtomsProcess::outputAsCLI(std::ostream &ost) const | 
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|  | 87 | {} | 
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|  | 88 |  | 
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| [477012] | 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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| [a82f61] | 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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| [afb47f] | 95 | void ManipulateAtomsProcess::doManipulate(World *world){ | 
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|  | 96 | setMaxSteps(world->numAtoms()); | 
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|  | 97 | start(); | 
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| [fa0b18] | 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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| [afb47f] | 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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| [af5384] | 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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