source: src/Actions/WorldAction/InputAction.cpp@ d93d2c

Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Added_ParseSaveFragmentResults AddingActions_SaveParseParticleParameters Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_ParticleName_to_Atom Adding_StructOpt_integration_tests AtomFragments Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.5.4 Candidate_v1.6.0 Candidate_v1.6.1 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator CombiningParticlePotentialParsing Combining_Subpackages Debian_Package_split Debian_package_split_molecuildergui_only Disabling_MemDebug Docu_Python_wait EmpiricalPotential_contain_HomologyGraph EmpiricalPotential_contain_HomologyGraph_documentation Enable_parallel_make_install Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph FitPartialCharges_GlobalError Fix_BoundInBox_CenterInBox_MoleculeActions Fix_ChargeSampling_PBC Fix_ChronosMutex Fix_FitPartialCharges Fix_FitPotential_needs_atomicnumbers Fix_ForceAnnealing Fix_IndependentFragmentGrids Fix_ParseParticles Fix_ParseParticles_split_forward_backward_Actions Fix_PopActions Fix_QtFragmentList_sorted_selection Fix_Restrictedkeyset_FragmentMolecule Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns Fix_fitting_potentials Fixes ForceAnnealing_goodresults ForceAnnealing_oldresults ForceAnnealing_tocheck ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion FragmentAction_writes_AtomFragments FragmentMolecule_checks_bonddegrees GeometryObjects Gui_Fixes Gui_displays_atomic_force_velocity ImplicitCharges IndependentFragmentGrids IndependentFragmentGrids_IndividualZeroInstances IndependentFragmentGrids_IntegrationTest IndependentFragmentGrids_Sole_NN_Calculation JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool JobMarket_unresolvable_hostname_fix MoreRobust_FragmentAutomation ODR_violation_mpqc_open PartialCharges_OrthogonalSummation PdbParser_setsAtomName PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks Rewrite_FitPartialCharges RotateToPrincipalAxisSystem_UndoRedo SaturateAtoms_findBestMatching SaturateAtoms_singleDegree StoppableMakroAction Subpackage_CodePatterns Subpackage_JobMarket Subpackage_LinearAlgebra Subpackage_levmar Subpackage_mpqc_open Subpackage_vmg Switchable_LogView ThirdParty_MPQC_rebuilt_buildsystem TrajectoryDependenant_MaxOrder TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps TremoloParser_setsAtomName Ubuntu_1604_changes stable
Last change on this file since d93d2c was 7e1a88, checked in by Frederik Heber <heber@…>, 10 years ago

MEMFIX: Thrown ParserException causes mem leak in LoadAction

  • Property mode set to 100644
File size: 4.2 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2010-2012 University of Bonn. 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 * InputAction.cpp
25 *
26 * Created on: May 8, 2010
27 * Author: heber
28 */
29
30// include config.h
31#ifdef HAVE_CONFIG_H
32#include <config.h>
33#endif
34
35#include "CodePatterns/MemDebug.hpp"
36
37#include "CodePatterns/Log.hpp"
38#include "molecule.hpp"
39#include "MoleculeListClass.hpp"
40#include "Parser/Exceptions.hpp"
41#include "Parser/FormatParserStorage.hpp"
42#include "CodePatterns/Verbose.hpp"
43#include "World.hpp"
44
45#include <iostream>
46#include <string>
47
48#include <boost/filesystem/fstream.hpp>
49
50#include "Actions/WorldAction/InputAction.hpp"
51
52using namespace MoleCuilder;
53
54// and construct the stuff
55#include "InputAction.def"
56#include "Action_impl_pre.hpp"
57/** =========== define the function ====================== */
58ActionState::ptr WorldInputAction::performCall() {
59// MoleculeListClass *molecules = World::getInstance().getMolecules();
60// molecule *mol = NULL;
61 boost::filesystem::ifstream test;
62 FormatParserStorage &parsers = FormatParserStorage::getInstance();
63
64 LOG(0, "Config file given " << params.filename.get() << ".");
65 // using the filename as prefix for all parsers
66 std::string FilenameSuffix;
67 std::string FilenamePrefix;
68 if (params.filename.get().has_filename()) {
69 // get suffix
70 FilenameSuffix = params.filename.get().extension().string().substr(1); // remove the prefixed "."
71 FilenamePrefix = params.filename.get().stem().string();
72 LOG(1, "Setting config file name prefix to " << FilenamePrefix << ".");
73 parsers.SetOutputPrefixForAll(FilenamePrefix);
74 } else {
75 STATUS("Input file does not have a suffix, cannot recognize format.");
76 return Action::failure;
77 }
78
79 // parsing file if present
80 if (!boost::filesystem::exists(params.filename.get())) {
81 LOG(1, "Specified config file " << params.filename.get() << " not found.");
82 // DONT FAIL: it's just empty and we use the name. // return Action::failure;
83 // nonetheless, add to output formats
84 parsers.setOutputFormat( parsers.getTypeFromSuffix(FilenameSuffix) );
85 } else {
86 LOG(1, "Specified config file found, parsing ... ");
87
88 // parse the file
89 test.open(params.filename.get());
90 try {
91 parsers.load(test, FilenameSuffix);
92 } catch(ParserException &e) {
93 ELOG(1, "Could not parse the given file.");
94 STATUS("LoadAction failed");
95 return Action::failure;
96 }
97 parsers.setOutputFormat( parsers.getTypeFromSuffix(FilenameSuffix) );
98 test.close();
99
100 // set file name of last molecule
101 MoleculeList::const_iterator iter = World::getInstance().getMolecules()->ListOfMolecules.end();
102 iter--;
103 (*iter)->SetNameFromFilename(FilenamePrefix.c_str());
104 LOG(0, "Chemical formula is " << (*iter)->getFormula());
105 }
106 return Action::success;
107}
108
109ActionState::ptr WorldInputAction::performUndo(ActionState::ptr _state) {
110// ParserLoadXyzState *state = assert_cast<ParserLoadXyzState*>(_state.get());
111
112 STATUS("Undo of WorldInputAction not implemented.");
113 return Action::failure;
114// string newName = state->mol->getName();
115// state->mol->setName(state->lastName);
116//
117// return ActionState::ptr(new ParserLoadXyzState(state->mol,newName));
118}
119
120ActionState::ptr WorldInputAction::performRedo(ActionState::ptr _state){
121 STATUS("Redo of WorldInputAction not implemented.");
122 return Action::failure;
123}
124
125bool WorldInputAction::canUndo() {
126 return false;
127}
128
129bool WorldInputAction::shouldUndo() {
130 return false;
131}
132/** =========== end of function ====================== */
Note: See TracBrowser for help on using the repository browser.