source: src/Actions/PotentialAction/ParseParticleParametersAction.cpp@ 3c9ac3

Action_Thermostats Adding_MD_integration_tests Adding_StructOpt_integration_tests AutomationFragmentation_failures Candidate_v1.6.1 ChemicalSpaceEvaluator Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Exclude_Hydrogens_annealWithBondGraph Fix_Verbose_Codepatterns ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion Gui_displays_atomic_force_velocity JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool PythonUI_with_named_parameters Recreated_GuiChecks StoppableMakroAction TremoloParser_IncreasedPrecision
Last change on this file since 3c9ac3 was 9eb71b3, checked in by Frederik Heber <frederik.heber@…>, 8 years ago

Commented out MemDebug include and Memory::ignore.

  • MemDebug clashes with various allocation operators that use a specific placement in memory. It is so far not possible to wrap new/delete fully. Hence, we stop this effort which so far has forced us to put ever more includes (with clashes) into MemDebug and thereby bloat compilation time.
  • MemDebug does not add that much usefulness which is not also provided by valgrind.
  • Property mode set to 100644
File size: 3.0 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 * ParseParticleParametersAction.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/ParseParticleParametersAction.hpp"
43
44#include <boost/filesystem.hpp>
45#include <fstream>
46
47#include "CodePatterns/Log.hpp"
48
49#include "Potentials/TremoloPotentialFileParser.hpp"
50
51using namespace MoleCuilder;
52
53// and construct the stuff
54#include "ParseParticleParametersAction.def"
55#include "Action_impl_pre.hpp"
56/** =========== define the function ====================== */
57
58ActionState::ptr PotentialParseParticleParametersAction::performCall()
59{
60 if (boost::filesystem::exists(params.particle_file.get())) {
61 std::ifstream returnstream(params.particle_file.get().string().c_str());
62 if (returnstream.good()) {
63 if (!TremoloPotentialFileParser::parseParticles(returnstream))
64 return Action::failure;
65 } else {
66 STATUS("Failed to parse from "+params.particle_file.get().string()+".");
67 return Action::failure;
68 }
69 returnstream.close();
70
71 LOG(0, "STATUS: Parsed a set of particle parameters parsed from "
72 << params.particle_file.get().string() << ".");
73
74 } else {
75 STATUS("No existing particles file given!");
76 return Action::failure;
77 }
78
79 return Action::success;
80}
81
82ActionState::ptr PotentialParseParticleParametersAction::performUndo(ActionState::ptr _state) {
83 STATUS("Undo of PotentialParseParticleParametersAction not implemented.");
84 return Action::failure;
85}
86
87ActionState::ptr PotentialParseParticleParametersAction::performRedo(ActionState::ptr _state){
88 STATUS("Redo of PotentialParseParticleParametersAction not implemented.");
89 return Action::failure;
90}
91
92bool PotentialParseParticleParametersAction::canUndo() {
93 return false;
94}
95
96bool PotentialParseParticleParametersAction::shouldUndo() {
97 return false;
98}
99/** =========== end of function ====================== */
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