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

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Last change on this file since 4464ef was 78202b, checked in by Frederik Heber <heber@…>, 9 years ago

Adding potential action to parse and save atom fragment associations.

  • Made KeySet serializable.
  • added documentation on save and parse atom fragments.
  • Property mode set to 100644
File size: 3.3 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 * SaveAtomFragmentsAction.cpp
25 *
26 * Created on: Mar 07, 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 <iostream>
43
44#include "CodePatterns/Log.hpp"
45
46#include "Fragmentation/Homology/AtomFragmentsMap.hpp"
47#include "Fragmentation/KeySet.hpp"
48
49#include "Actions/PotentialAction/SaveAtomFragmentsAction.hpp"
50
51using namespace MoleCuilder;
52
53// and construct the stuff
54#include "SaveAtomFragmentsAction.def"
55#include "Action_impl_pre.hpp"
56/** =========== define the function ====================== */
57
58bool writeAtomFragmentsToFile(
59 const boost::filesystem::path &atomfragments_file
60 )
61{
62 /// store homology container again
63 AtomFragmentsMap &atomfragments_container = AtomFragmentsMap::getInstance();
64 std::ofstream outputstream(atomfragments_file.string().c_str());
65 if (outputstream.good()) { // check if opened
66 boost::archive::text_oarchive oa(outputstream);
67 oa << atomfragments_container;
68 if (outputstream.fail()) { // check if correctly written
69 LOG(1, "Failed to write to file " << atomfragments_file.string() << ".");
70 return false;
71 } else
72 outputstream.close();
73 } else {
74 LOG(1, "Failed to open file " << atomfragments_file.string()
75 << " for writing.");
76 return false;
77 }
78 return true;
79}
80
81ActionState::ptr PotentialSaveAtomFragmentsAction::performCall()
82{
83 if (!params.atomfragments_file.get().empty()) {
84 const boost::filesystem::path &atomfragments_file = params.atomfragments_file.get();
85 LOG(1, "INFO: Appending AtomFragment associations to file " << atomfragments_file.string() << ".");
86 if (!writeAtomFragmentsToFile(atomfragments_file)) {
87 STATUS("Failed to write atomfragments file.");
88 return Action::failure;
89 }
90 return Action::success;
91 } else {
92 STATUS("Homology file name empty.");
93 return Action::failure;
94 }
95}
96
97ActionState::ptr PotentialSaveAtomFragmentsAction::performUndo(ActionState::ptr _state) {
98 return Action::success;
99}
100
101ActionState::ptr PotentialSaveAtomFragmentsAction::performRedo(ActionState::ptr _state){
102 return Action::success;
103}
104
105bool PotentialSaveAtomFragmentsAction::canUndo() {
106 return false;
107}
108
109bool PotentialSaveAtomFragmentsAction::shouldUndo() {
110 return false;
111}
112/** =========== end of function ====================== */
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