| [bae7bc] | 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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| [5aaa43] | 5 | * Copyright (C)  2013 Frederik Heber. All rights reserved. | 
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| [bae7bc] | 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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| [9eb71b3] | 36 | //#include "CodePatterns/MemDebug.hpp" | 
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| [bae7bc] | 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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| [b5b01e] | 52 | ActionState::ptr FragmentationParseFragmentJobsAction::performCall() { | 
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| [bae7bc] | 53 | // check for present jobs | 
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|  | 54 | if (params.jobfiles.get().empty()) { | 
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| [26b4d62] | 55 | STATUS("Given vector of jobfiles is empty!"); | 
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| [bae7bc] | 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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| [26b4d62] | 62 | params.level.get())) { | 
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|  | 63 | STATUS("Could not parse all given jobs files."); | 
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| [bae7bc] | 64 | return Action::failure; | 
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| [26b4d62] | 65 | } | 
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| [bae7bc] | 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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| [b5b01e] | 76 | ActionState::ptr FragmentationParseFragmentJobsAction::performUndo(ActionState::ptr _state) { | 
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| [bae7bc] | 77 | return Action::success; | 
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|  | 78 | } | 
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|  | 79 |  | 
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| [b5b01e] | 80 | ActionState::ptr FragmentationParseFragmentJobsAction::performRedo(ActionState::ptr _state){ | 
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| [bae7bc] | 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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