source: src/Actions/PotentialAction/SaveParticleParametersAction.cpp@ 4464ef

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Last change on this file since 4464ef was 2082637, checked in by Frederik Heber <heber@…>, 9 years ago

Added Parse- and SaveParticleParametersAction to parse/save ParticleRegistry.

  • added regression test for parsing and saving particles file.
  • Property mode set to 100644
File size: 3.2 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2016 Frederik Heber. All rights reserved.
5 *
6 *
7 * This file is part of MoleCuilder.
8 *
9 * MoleCuilder is free software: you can redistribute it and/or modify
10 * it under the terms of the GNU General Public License as published by
11 * the Free Software Foundation, either version 2 of the License, or
12 * (at your option) any later version.
13 *
14 * MoleCuilder is distributed in the hope that it will be useful,
15 * but WITHOUT ANY WARRANTY; without even the implied warranty of
16 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
17 * GNU General Public License for more details.
18 *
19 * You should have received a copy of the GNU General Public License
20 * along with MoleCuilder. If not, see <http://www.gnu.org/licenses/>.
21 */
22
23/*
24 * SaveParticleParametersAction.cpp
25 *
26 * Created on: Feb 27, 2016
27 * Author: heber
28 */
29
30// include config.h
31#ifdef HAVE_CONFIG_H
32#include <config.h>
33#endif
34
35// include headers that implement a archive in simple text format
36// and before MemDebug due to placement new
37#include <boost/archive/text_oarchive.hpp>
38#include <boost/archive/text_iarchive.hpp>
39
40#include "CodePatterns/MemDebug.hpp"
41
42#include "Actions/PotentialAction/SaveParticleParametersAction.hpp"
43
44#include <boost/filesystem.hpp>
45#include <fstream>
46
47#include "CodePatterns/Log.hpp"
48
49#include "Potentials/Exceptions.hpp"
50#include "Potentials/Particles/ParticleRegistry.hpp"
51#include "Potentials/RegistrySerializer.hpp"
52
53using namespace MoleCuilder;
54
55// and construct the stuff
56#include "SaveParticleParametersAction.def"
57#include "Action_impl_pre.hpp"
58/** =========== define the function ====================== */
59
60ActionState::ptr PotentialSaveParticleParametersAction::performCall()
61{
62 // store the particles
63 if (!params.particle_file.get().string().empty()) {
64 // print fitted particles
65 std::stringstream particles;
66 try {
67 RegistrySerializer<Particle> serialize(
68 particles,
69 ParticleRegistry::getInstance(),
70 std::string("particle"));
71 serialize();
72 } catch (SerializerStreamException &e) {
73 STATUS("Error parsing stream, ended too early?");
74 }
75 LOG(1, "STATUS: Resulting parameters are " << std::endl << particles.str());
76 std::ofstream returnstream(params.particle_file.get().string().c_str());
77 if (returnstream.good()) {
78 returnstream << particles.str();
79 } else {
80 STATUS("Could not open stream to write particles!");
81 return Action::failure;
82 }
83 } else {
84 STATUS("No existing potential file given!");
85 return Action::failure;
86 }
87
88 return Action::success;
89}
90
91ActionState::ptr PotentialSaveParticleParametersAction::performUndo(ActionState::ptr _state) {
92 STATUS("Undo of PotentialSaveParticleParametersAction not implemented.");
93 return Action::failure;
94}
95
96ActionState::ptr PotentialSaveParticleParametersAction::performRedo(ActionState::ptr _state){
97 STATUS("Redo of PotentialSaveParticleParametersAction not implemented.");
98 return Action::failure;
99}
100
101bool PotentialSaveParticleParametersAction::canUndo() {
102 return false;
103}
104
105bool PotentialSaveParticleParametersAction::shouldUndo() {
106 return false;
107}
108/** =========== end of function ====================== */
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