source: src/Actions/AtomAction/SaveSelectedAtomsAction.cpp@ 632a52

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 632a52 was 632a52, checked in by Frederik Heber <heber@…>, 13 years ago

FIX: boost::filesystem 1.47 changed output of extension(), stem(), and leaf().

  • fix was to add .string().
  • we check for BOOST_VERSION to be greater equal than 104600 to apply this fix.
  • Property mode set to 100644
File size: 2.8 KB
RevLine 
[bcf653]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
[03bb99]8/*
[fe6f20]9 * SaveSelectedAtomsAction.cpp
[03bb99]10 *
11 * Created on: May 8, 2010
12 * Author: heber
13 */
14
[bf3817]15// include config.h
16#ifdef HAVE_CONFIG_H
17#include <config.h>
18#endif
19
[ad011c]20#include "CodePatterns/MemDebug.hpp"
[112b09]21
[ad011c]22#include "CodePatterns/Log.hpp"
23#include "CodePatterns/Verbose.hpp"
[cabb46]24#include "Parser/FormatParserStorage.hpp"
[03bb99]25
26#include <iostream>
27#include <string>
28
[cabb46]29#include <boost/filesystem/fstream.hpp>
30
[03bb99]31using namespace std;
32
[fe6f20]33#include "SaveSelectedAtomsAction.hpp"
[ce8755]34
[1fd675]35// and construct the stuff
[fe6f20]36#include "SaveSelectedAtomsAction.def"
[1fd675]37#include "Action_impl_pre.hpp"
38/** =========== define the function ====================== */
[fe6f20]39Action::state_ptr AtomSaveSelectedAtomsAction::performCall() {
[1fd675]40 // obtain information
41 getParametersfromValueStorage();
[ce8755]42
[fe6f20]43 DoLog(1) && (Log() << Verbose(1) << "Storing selected atoms to file " << params.filename << "." << endl);
[cabb46]44
45 // extract suffix
46 std::string FilenameSuffix;
47 std::string FilenamePrefix;
48 if (params.filename.has_filename()) {
49 // get suffix
[632a52]50#if BOOST_VERSION >= 104600
51 FilenameSuffix = params.filename.extension().string().substr(1); // remove the prefixed "."
52 FilenamePrefix = params.filename.stem().string();
53#else
54 FilenameSuffix = params.filename.extension().substr(1); // remove the prefixed "."
55 FilenamePrefix = params.filename.stem();
56#endif
[cabb46]57 } else {
58 DoeLog(1) && (eLog() << Verbose(1) << "Output file does not have a suffix, cannot recognize format." << endl);
59 return Action::failure;
60 }
61
62 // store file
63 // parse the file
64 boost::filesystem::ofstream output;
65 output.open(params.filename);
[e4afb4]66 if (!output.fail()) {
[fe6f20]67 FormatParserStorage::getInstance().saveSelectedAtoms(output, FilenameSuffix);
[e4afb4]68 } else {
69 DoeLog(1) && (eLog() << Verbose(1) << "Could not open file " << params.filename << "." << endl);
70 }
[ce8755]71 output.close();
[cabb46]72
[fc5c3a]73 return Action::success;
[03bb99]74}
75
[fe6f20]76Action::state_ptr AtomSaveSelectedAtomsAction::performUndo(Action::state_ptr _state) {
[03bb99]77// ParserSaveXyzState *state = assert_cast<ParserSaveXyzState*>(_state.get());
[808fd3]78
79 return Action::failure;
[03bb99]80// string newName = state->mol->getName();
81// state->mol->setName(state->lastName);
82//
83// return Action::state_ptr(new ParserSaveXyzState(state->mol,newName));
[808fd3]84}
85
[fe6f20]86Action::state_ptr AtomSaveSelectedAtomsAction::performRedo(Action::state_ptr _state){
[808fd3]87 return Action::failure;
[03bb99]88// // Undo and redo have to do the same for this action
89// return performUndo(_state);
[808fd3]90}
[03bb99]91
[fe6f20]92bool AtomSaveSelectedAtomsAction::canUndo() {
[03bb99]93 return false;
94}
95
[fe6f20]96bool AtomSaveSelectedAtomsAction::shouldUndo() {
[03bb99]97 return false;
98}
[1fd675]99/** =========== end of function ====================== */
Note: See TracBrowser for help on using the repository browser.