source: src/Actions/WorldAction/OutputAction.cpp@ 4217e7

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 4217e7 was ad011c, checked in by Frederik Heber <heber@…>, 14 years ago

CodePatterns places all includes now in subfolder CodePatterns/.

  • change all includes accordingly.
  • this was necessary as Helpers and Patterns are not very distinctive names for include folders. Already now, we had a conflict between Helpers from CodePatterns and Helpers from this project.
  • changed compilation test in ax_codepatterns.m4 when changing CodePatterns includes.
  • Property mode set to 100644
File size: 2.4 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2010 University of Bonn. All rights reserved.
5 * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
6 */
7
8/*
9 * OutputAction.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
32using namespace std;
33
34#include "Actions/WorldAction/OutputAction.hpp"
35
36// and construct the stuff
37#include "OutputAction.def"
38#include "Action_impl_pre.hpp"
39/** =========== define the function ====================== */
40Action::state_ptr WorldOutputAction::performCall() {
41 // obtain information
42 getParametersfromValueStorage();
43
44 DoLog(1) && (Log() << Verbose(1) << "Storing world to file " << params.filename << "." << endl);
45
46 // extract suffix
47 std::string FilenameSuffix;
48 std::string FilenamePrefix;
49 if (params.filename.has_filename()) {
50 // get suffix
51 FilenameSuffix = params.filename.extension().substr(1); // remove the prefixed "."
52 FilenamePrefix = params.filename.stem();
53 } else {
54 DoeLog(1) && (eLog() << Verbose(1) << "Output file does not have a suffix, cannot recognize format." << endl);
55 return Action::failure;
56 }
57
58 // store file
59 // parse the file
60 boost::filesystem::ofstream output;
61 output.open(params.filename);
62 if (!output.fail()) {
63 FormatParserStorage::getInstance().saveWorld(output, FilenameSuffix);
64 } else {
65 DoeLog(1) && (eLog() << Verbose(1) << "Could not open file " << params.filename << "." << endl);
66 }
67 output.close();
68
69 return Action::success;
70}
71
72Action::state_ptr WorldOutputAction::performUndo(Action::state_ptr _state) {
73// ParserLoadXyzState *state = assert_cast<ParserLoadXyzState*>(_state.get());
74
75 return Action::failure;
76// string newName = state->mol->getName();
77// state->mol->setName(state->lastName);
78//
79// return Action::state_ptr(new ParserLoadXyzState(state->mol,newName));
80}
81
82Action::state_ptr WorldOutputAction::performRedo(Action::state_ptr _state){
83 return Action::failure;
84}
85
86bool WorldOutputAction::canUndo() {
87 return false;
88}
89
90bool WorldOutputAction::shouldUndo() {
91 return false;
92}
93/** =========== end of function ====================== */
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