| [2082637] | 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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