source: src/Actions/WorldAction/OutputAsAction.cpp@ 072f0e

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 072f0e was 072f0e, checked in by Michael Ankele <ankele@…>, 12 years ago

Refactoring: renamed OutputAction -> OutputAsAction

  • Property mode set to 100644
File size: 2.5 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 * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
6 */
7
8/*
9 * OutputAsAction.cpp
10 *
11 * Created on: May 8, 2010
12 * Author: heber
13 */
14
15// include config.h
16#ifdef HAVE_CONFIG_H
17#include <config.h>
18#endif
19
20#include "CodePatterns/MemDebug.hpp"
21
22#include "Parser/FormatParserStorage.hpp"
23#include "CodePatterns/Log.hpp"
24#include "CodePatterns/Verbose.hpp"
25#include "World.hpp"
26
27#include <iostream>
28#include <string>
29
30#include <boost/filesystem/fstream.hpp>
31
32#include "Actions/WorldAction/OutputAsAction.hpp"
33
34using namespace MoleCuilder;
35
36// and construct the stuff
37#include "OutputAsAction.def"
38#include "Action_impl_pre.hpp"
39/** =========== define the function ====================== */
40Action::state_ptr WorldOutputAsAction::performCall() {
41 LOG(1, "Storing world to file " << params.filename.get() << ".");
42
43 // extract suffix
44 std::string FilenameSuffix;
45 std::string FilenamePrefix;
46 if (params.filename.get().has_filename()) {
47 // get suffix
48#if BOOST_VERSION >= 104600
49 FilenameSuffix = params.filename.get().extension().string().substr(1); // remove the prefixed "."
50 FilenamePrefix = params.filename.get().stem().string();
51#else
52 FilenameSuffix = params.filename.get().extension().substr(1); // remove the prefixed "."
53 FilenamePrefix = params.filename.get().stem();
54#endif
55 } else {
56 ELOG(1, "Output file does not have a suffix, cannot recognize format.");
57 return Action::failure;
58 }
59
60 // store file
61 // parse the file
62 boost::filesystem::ofstream output;
63 output.open(params.filename.get());
64 if (!output.fail()) {
65 FormatParserStorage::getInstance().saveWorld(output, FilenameSuffix);
66 } else {
67 ELOG(1, "Could not open file " << params.filename.get() << ".");
68 }
69 output.close();
70
71 return Action::success;
72}
73
74Action::state_ptr WorldOutputAsAction::performUndo(Action::state_ptr _state) {
75// ParserLoadXyzState *state = assert_cast<ParserLoadXyzState*>(_state.get());
76
77 return Action::failure;
78// string newName = state->mol->getName();
79// state->mol->setName(state->lastName);
80//
81// return Action::state_ptr(new ParserLoadXyzState(state->mol,newName));
82}
83
84Action::state_ptr WorldOutputAsAction::performRedo(Action::state_ptr _state){
85 return Action::failure;
86}
87
88bool WorldOutputAsAction::canUndo() {
89 return false;
90}
91
92bool WorldOutputAsAction::shouldUndo() {
93 return false;
94}
95/** =========== end of function ====================== */
Note: See TracBrowser for help on using the repository browser.