| [73a5f7] | 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)  2016 Frederik Heber. 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 | * SaveFragmentResultsAction.cpp | 
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|  | 25 | * | 
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|  | 26 | *  Created on: Sep 04, 2016 | 
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|  | 27 | *      Author: heber | 
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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 headers that implement a archive in simple text format | 
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|  | 36 | // and before MemDebug due to placement new | 
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|  | 37 | #include <boost/archive/text_oarchive.hpp> | 
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|  | 38 | #include <boost/archive/text_iarchive.hpp> | 
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|  | 39 |  | 
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|  | 40 | #include "CodePatterns/MemDebug.hpp" | 
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|  | 41 |  | 
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|  | 42 | #include <iostream> | 
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|  | 43 |  | 
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|  | 44 | #include "CodePatterns/Log.hpp" | 
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|  | 45 |  | 
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|  | 46 | #include "Fragmentation/Summation/Containers/FragmentationResultContainer.hpp" | 
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|  | 47 |  | 
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|  | 48 | #include "Actions/FragmentationAction/SaveFragmentResultsAction.hpp" | 
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|  | 49 |  | 
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|  | 50 | using namespace MoleCuilder; | 
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|  | 51 |  | 
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|  | 52 | // and construct the stuff | 
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|  | 53 | #include "SaveFragmentResultsAction.def" | 
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|  | 54 | #include "Action_impl_pre.hpp" | 
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|  | 55 | /** =========== define the function ====================== */ | 
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|  | 56 |  | 
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|  | 57 | bool writeFragmentResultsToFile( | 
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|  | 58 | const boost::filesystem::path &fragmentresults_file | 
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|  | 59 | ) | 
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|  | 60 | { | 
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|  | 61 | /// if file is given, parse from file into ResultsContainer | 
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|  | 62 | FragmentationResultContainer& container = FragmentationResultContainer::getInstance(); | 
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|  | 63 | if (!boost::filesystem::exists(fragmentresults_file)) { | 
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|  | 64 | LOG(1, "INFO: Saving fragment results to " << fragmentresults_file.string() << "."); | 
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|  | 65 | std::ofstream returnstream(fragmentresults_file.string().c_str()); | 
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|  | 66 | if (returnstream.good()) { | 
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|  | 67 | boost::archive::text_oarchive oa(returnstream); | 
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|  | 68 | oa << container; | 
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|  | 69 | if (returnstream.bad()) { // check if correctly written | 
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|  | 70 | LOG(1, "Failed to write to file " << fragmentresults_file.string() << "."); | 
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|  | 71 | return false; | 
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|  | 72 | } else | 
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|  | 73 | returnstream.close(); | 
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|  | 74 | } | 
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|  | 75 | } else { | 
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|  | 76 | ELOG(1, "Given file" << fragmentresults_file.string() << " already exists."); | 
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|  | 77 | return false; | 
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|  | 78 | } | 
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|  | 79 | return true; | 
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|  | 80 | } | 
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|  | 81 |  | 
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|  | 82 | ActionState::ptr FragmentationSaveFragmentResultsAction::performCall() | 
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|  | 83 | { | 
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|  | 84 | if (!params.fragmentresults_file.get().empty()) { | 
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|  | 85 | const boost::filesystem::path &fragmentresults_file = params.fragmentresults_file.get(); | 
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|  | 86 | if (writeFragmentResultsToFile(fragmentresults_file)) { | 
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|  | 87 | STATUS("SUCCESS: Saving fragment results to file "+toString(fragmentresults_file.string())+"."); | 
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|  | 88 | return Action::success; | 
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|  | 89 | } else { | 
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|  | 90 | STATUS("FAIL: Failed to write fragment results file."); | 
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|  | 91 | return Action::failure; | 
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|  | 92 | } | 
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|  | 93 | } else { | 
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|  | 94 | STATUS("FAIL: Fragment results file name empty."); | 
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|  | 95 | return Action::failure; | 
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|  | 96 | } | 
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|  | 97 | } | 
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|  | 98 |  | 
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|  | 99 | ActionState::ptr FragmentationSaveFragmentResultsAction::performUndo(ActionState::ptr _state) { | 
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|  | 100 | return Action::success; | 
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|  | 101 | } | 
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|  | 102 |  | 
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|  | 103 | ActionState::ptr FragmentationSaveFragmentResultsAction::performRedo(ActionState::ptr _state){ | 
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|  | 104 | return Action::success; | 
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|  | 105 | } | 
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|  | 106 |  | 
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|  | 107 | bool FragmentationSaveFragmentResultsAction::canUndo() { | 
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|  | 108 | return false; | 
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|  | 109 | } | 
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|  | 110 |  | 
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|  | 111 | bool FragmentationSaveFragmentResultsAction::shouldUndo() { | 
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|  | 112 | return false; | 
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|  | 113 | } | 
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|  | 114 | /** =========== end of function ====================== */ | 
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