source: src/Actions/WorldAction/ScaleBoxAction.cpp@ e6317b

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 e6317b was e6317b, checked in by Tillmann Crueger <crueger@…>, 15 years ago

Broken: Merge commit 'Gitosis/stable' into stable

Conflicts:

molecuilder/src/Actions/AnalysisAction/PairCorrelationToPointAction.cpp
molecuilder/src/Actions/AnalysisAction/PairCorrelationToSurfaceAction.cpp
molecuilder/src/Makefile.am

  • Property mode set to 100644
File size: 2.1 KB
Line 
1/*
2 * ScaleBoxAction.cpp
3 *
4 * Created on: May 8, 2010
5 * Author: heber
6 */
7
8#include "Helpers/MemDebug.hpp"
9
10#include "Actions/WorldAction/ScaleBoxAction.hpp"
11#include "atom.hpp"
12#include "log.hpp"
13#include "vector.hpp"
14#include "verbose.hpp"
15#include "World.hpp"
16
17#include <iostream>
18#include <string>
19
20using namespace std;
21
22#include "UIElements/UIFactory.hpp"
23#include "UIElements/Dialog.hpp"
24#include "Actions/MapOfActions.hpp"
25
26const char WorldScaleBoxAction::NAME[] = "scale-box";
27
28WorldScaleBoxAction::WorldScaleBoxAction() :
29 Action(NAME)
30{}
31
32WorldScaleBoxAction::~WorldScaleBoxAction()
33{}
34
35Action::state_ptr WorldScaleBoxAction::performCall() {
36 Dialog *dialog = UIFactory::getInstance().makeDialog();
37 Vector Scaler;
38 double x[NDIM];
39 int j=0;
40
41 dialog->queryVector(NAME, &Scaler, World::getInstance().getDomain(), false, MapOfActions::getInstance().getDescription(NAME));
42
43 if(dialog->display()) {
44 DoLog(1) && (Log() << Verbose(1) << "Scaling all atomic positions by factor." << endl);
45 for (int i=0;i<NDIM;i++)
46 x[i] = Scaler[i];
47 vector<atom*> AllAtoms = World::getInstance().getAllAtoms();
48 for(vector<atom*>::iterator AtomRunner = AllAtoms.begin(); AtomRunner != AllAtoms.end(); ++AtomRunner) {
49 (*AtomRunner)->x.ScaleAll(x);
50 }
51 j = -1;
52 double * const cell_size = World::getInstance().getDomain();
53 for (int i=0;i<NDIM;i++) {
54 j += i+1;
55 cell_size[j]*=x[i];
56 }
57
58 delete dialog;
59 return Action::success;
60 } else {
61 delete dialog;
62 return Action::failure;
63 }
64}
65
66Action::state_ptr WorldScaleBoxAction::performUndo(Action::state_ptr _state) {
67// ParserLoadXyzState *state = assert_cast<ParserLoadXyzState*>(_state.get());
68
69 return Action::failure;
70// string newName = state->mol->getName();
71// state->mol->setName(state->lastName);
72//
73// return Action::state_ptr(new ParserLoadXyzState(state->mol,newName));
74}
75
76Action::state_ptr WorldScaleBoxAction::performRedo(Action::state_ptr _state){
77 return Action::failure;
78}
79
80bool WorldScaleBoxAction::canUndo() {
81 return false;
82}
83
84bool WorldScaleBoxAction::shouldUndo() {
85 return false;
86}
87
88const string WorldScaleBoxAction::getName() {
89 return NAME;
90}
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