| 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)  2013 University of Bonn. All rights reserved. | 
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| 5 | * Copyright (C)  2013 Frederik Heber. All rights reserved. | 
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| 6 | * | 
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| 7 | * | 
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| 8 | *   This file is part of MoleCuilder. | 
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| 9 | * | 
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| 10 | *    MoleCuilder is free software: you can redistribute it and/or modify | 
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| 11 | *    it under the terms of the GNU General Public License as published by | 
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| 12 | *    the Free Software Foundation, either version 2 of the License, or | 
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| 13 | *    (at your option) any later version. | 
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| 14 | * | 
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| 15 | *    MoleCuilder is distributed in the hope that it will be useful, | 
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| 16 | *    but WITHOUT ANY WARRANTY; without even the implied warranty of | 
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| 17 | *    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the | 
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| 18 | *    GNU General Public License for more details. | 
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| 19 | * | 
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| 20 | *    You should have received a copy of the GNU General Public License | 
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| 21 | *    along with MoleCuilder.  If not, see <http://www.gnu.org/licenses/>. | 
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| 22 | */ | 
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| 23 |  | 
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| 24 | /* | 
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| 25 | * ParseFragmentJobsAction.cpp | 
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| 26 | * | 
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| 27 | *  Created on: Mar 04, 2013 | 
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| 28 | *      Author: heber | 
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| 29 | */ | 
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| 30 |  | 
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| 31 | // include config.h | 
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| 32 | #ifdef HAVE_CONFIG_H | 
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| 33 | #include <config.h> | 
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| 34 | #endif | 
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| 35 |  | 
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| 36 | #include "CodePatterns/MemDebug.hpp" | 
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| 37 |  | 
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| 38 | #include "CodePatterns/Log.hpp" | 
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| 39 | #include "Fragmentation/Automation/FragmentJobQueue.hpp" | 
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| 40 |  | 
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| 41 | #include <boost/filesystem.hpp> | 
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| 42 | #include <string> | 
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| 43 |  | 
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| 44 | #include "Actions/FragmentationAction/ParseFragmentJobsAction.hpp" | 
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| 45 |  | 
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| 46 | using namespace MoleCuilder; | 
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| 47 |  | 
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| 48 | // and construct the stuff | 
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| 49 | #include "ParseFragmentJobsAction.def" | 
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| 50 | #include "Action_impl_pre.hpp" | 
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| 51 | /** =========== define the function ====================== */ | 
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| 52 | ActionState::ptr FragmentationParseFragmentJobsAction::performCall() { | 
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| 53 | // check for present jobs | 
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| 54 | if (params.jobfiles.get().empty()) { | 
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| 55 | STATUS("Given vector of jobfiles is empty!"); | 
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| 56 | return Action::failure; | 
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| 57 | } | 
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| 58 |  | 
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| 59 | // parse in fragment-jobs if given | 
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| 60 | if(!FragmentJobQueue::getInstance().addJobsFromFiles( | 
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| 61 | params.jobfiles.get(), | 
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| 62 | params.level.get())) { | 
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| 63 | STATUS("Could not parse all given jobs files."); | 
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| 64 | return Action::failure; | 
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| 65 | } | 
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| 66 | size_t FragmentCounter = FragmentJobQueue::getInstance().size(); | 
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| 67 | LOG(1, "STATUS: I parsed " << FragmentCounter << " fragment files."); | 
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| 68 |  | 
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| 69 | // then parse in KeySets and add on top | 
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| 70 | FragmentJobQueue::getInstance().addKeySetsFromFiles(params.path.get(), FragmentCounter, NonHydrogenKeySets); | 
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| 71 | FragmentJobQueue::getInstance().addFullKeySetsFromFiles(params.path.get(), FragmentCounter, NonHydrogenKeySets); | 
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| 72 |  | 
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| 73 | return Action::success; | 
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| 74 | } | 
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| 75 |  | 
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| 76 | ActionState::ptr FragmentationParseFragmentJobsAction::performUndo(ActionState::ptr _state) { | 
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| 77 | return Action::success; | 
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| 78 | } | 
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| 79 |  | 
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| 80 | ActionState::ptr FragmentationParseFragmentJobsAction::performRedo(ActionState::ptr _state){ | 
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| 81 | return Action::success; | 
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| 82 | } | 
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| 83 |  | 
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| 84 | bool FragmentationParseFragmentJobsAction::canUndo() { | 
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| 85 | return true; | 
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| 86 | } | 
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| 87 |  | 
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| 88 | bool FragmentationParseFragmentJobsAction::shouldUndo() { | 
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| 89 | return true; | 
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| 90 | } | 
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| 91 | /** =========== end of function ====================== */ | 
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