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 | * SaveParticleParametersAction.cpp
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25 | *
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26 | * Created on: Feb 27, 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 "Actions/PotentialAction/SaveParticleParametersAction.hpp"
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43 |
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44 | #include <boost/filesystem.hpp>
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45 | #include <fstream>
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46 |
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47 | #include "CodePatterns/Log.hpp"
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48 |
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49 | #include "Potentials/Exceptions.hpp"
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50 | #include "Potentials/Particles/ParticleRegistry.hpp"
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51 | #include "Potentials/RegistrySerializer.hpp"
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52 |
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53 | using namespace MoleCuilder;
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54 |
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55 | // and construct the stuff
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56 | #include "SaveParticleParametersAction.def"
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57 | #include "Action_impl_pre.hpp"
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58 | /** =========== define the function ====================== */
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59 |
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60 | ActionState::ptr PotentialSaveParticleParametersAction::performCall()
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61 | {
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62 | // store the particles
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63 | if (!params.particle_file.get().string().empty()) {
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64 | // print fitted particles
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65 | std::stringstream particles;
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66 | try {
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67 | RegistrySerializer<Particle> serialize(
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68 | particles,
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69 | ParticleRegistry::getInstance(),
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70 | std::string("particle"));
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71 | serialize();
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72 | } catch (SerializerStreamException &e) {
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73 | STATUS("Error parsing stream, ended too early?");
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74 | }
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75 | LOG(1, "STATUS: Resulting parameters are " << std::endl << particles.str());
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76 | std::ofstream returnstream(params.particle_file.get().string().c_str());
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77 | if (returnstream.good()) {
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78 | returnstream << particles.str();
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79 | } else {
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80 | STATUS("Could not open stream to write particles!");
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81 | return Action::failure;
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82 | }
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83 | } else {
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84 | STATUS("No existing potential file given!");
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85 | return Action::failure;
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86 | }
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87 |
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88 | return Action::success;
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89 | }
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90 |
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91 | ActionState::ptr PotentialSaveParticleParametersAction::performUndo(ActionState::ptr _state) {
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92 | STATUS("Undo of PotentialSaveParticleParametersAction not implemented.");
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93 | return Action::failure;
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94 | }
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95 |
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96 | ActionState::ptr PotentialSaveParticleParametersAction::performRedo(ActionState::ptr _state){
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97 | STATUS("Redo of PotentialSaveParticleParametersAction not implemented.");
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98 | return Action::failure;
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99 | }
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100 |
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101 | bool PotentialSaveParticleParametersAction::canUndo() {
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102 | return false;
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103 | }
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104 |
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105 | bool PotentialSaveParticleParametersAction::shouldUndo() {
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106 | return false;
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107 | }
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108 | /** =========== end of function ====================== */
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