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 | Action::state_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 | ELOG(2, "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 | return Action::failure;
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64 | size_t FragmentCounter = FragmentJobQueue::getInstance().size();
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65 | LOG(1, "STATUS: I parsed " << FragmentCounter << " fragment files.");
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66 |
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67 | // then parse in KeySets and add on top
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68 | FragmentJobQueue::getInstance().addKeySetsFromFiles(params.path.get(), FragmentCounter, NonHydrogenKeySets);
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69 | FragmentJobQueue::getInstance().addFullKeySetsFromFiles(params.path.get(), FragmentCounter, NonHydrogenKeySets);
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70 |
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71 | return Action::success;
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72 | }
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73 |
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74 | Action::state_ptr FragmentationParseFragmentJobsAction::performUndo(Action::state_ptr _state) {
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75 | return Action::success;
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76 | }
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77 |
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78 | Action::state_ptr FragmentationParseFragmentJobsAction::performRedo(Action::state_ptr _state){
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79 | return Action::success;
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80 | }
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81 |
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82 | bool FragmentationParseFragmentJobsAction::canUndo() {
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83 | return true;
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84 | }
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85 |
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86 | bool FragmentationParseFragmentJobsAction::shouldUndo() {
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87 | return true;
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88 | }
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89 | /** =========== end of function ====================== */
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