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
        Candidate_v1.7.0
        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 d70fff was             3bd460a, checked in by Frederik Heber <heber@…>, 15 years ago           | 
        
        
          | 
             
All Actions on domain now state the final domain size. 
 
- default text is "Box domain is now ..." and is checked also in regression
test.
  
           | 
        
        
          
            
              - 
Property                 mode
 set to                 
100644
               
             
           | 
        
        
          | 
            File size:
            1.8 KB
           | 
        
      
      
| Rev | Line |   | 
|---|
| [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 | 
 | 
|---|
| [97ebf8] | 8 | /*
 | 
|---|
 | 9 |  * ChangeBoxAction.cpp
 | 
|---|
 | 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"
 | 
|---|
| [97ebf8] | 24 | #include "World.hpp"
 | 
|---|
| [84c494] | 25 | #include "Box.hpp"
 | 
|---|
| [cca9ef] | 26 | #include "LinearAlgebra/RealSpaceMatrix.hpp"
 | 
|---|
| [97ebf8] | 27 | 
 | 
|---|
 | 28 | #include <iostream>
 | 
|---|
 | 29 | #include <string>
 | 
|---|
 | 30 | 
 | 
|---|
 | 31 | using namespace std;
 | 
|---|
 | 32 | 
 | 
|---|
| [1fd675] | 33 | #include "Actions/WorldAction/ChangeBoxAction.hpp"
 | 
|---|
| [8da96a] | 34 | 
 | 
|---|
| [1fd675] | 35 | // and construct the stuff
 | 
|---|
 | 36 | #include "ChangeBoxAction.def"
 | 
|---|
 | 37 | #include "Action_impl_pre.hpp"
 | 
|---|
 | 38 | /** =========== define the function ====================== */
 | 
|---|
| [8da96a] | 39 | Action::state_ptr WorldChangeBoxAction::performCall() {
 | 
|---|
| [1fd675] | 40 |   // obtain information
 | 
|---|
 | 41 |   getParametersfromValueStorage();
 | 
|---|
| [8da96a] | 42 | 
 | 
|---|
| [1fd675] | 43 |   World::getInstance().setDomain(params.cell_size.getM()); // this is needed as only this function is OBSERVEd.
 | 
|---|
| [8da96a] | 44 | 
 | 
|---|
| [3bd460a] | 45 |   // give final box size
 | 
|---|
 | 46 |   LOG(0, "Box domain is now " << World::getInstance().getDomain().getM());
 | 
|---|
 | 47 | 
 | 
|---|
| [8da96a] | 48 |   return Action::success;
 | 
|---|
| [97ebf8] | 49 | }
 | 
|---|
 | 50 | 
 | 
|---|
 | 51 | Action::state_ptr WorldChangeBoxAction::performUndo(Action::state_ptr _state) {
 | 
|---|
 | 52 | //  ParserLoadXyzState *state = assert_cast<ParserLoadXyzState*>(_state.get());
 | 
|---|
 | 53 | 
 | 
|---|
 | 54 |   return Action::failure;
 | 
|---|
 | 55 | //  string newName = state->mol->getName();
 | 
|---|
 | 56 | //  state->mol->setName(state->lastName);
 | 
|---|
 | 57 | //
 | 
|---|
 | 58 | //  return Action::state_ptr(new ParserLoadXyzState(state->mol,newName));
 | 
|---|
 | 59 | }
 | 
|---|
 | 60 | 
 | 
|---|
 | 61 | Action::state_ptr WorldChangeBoxAction::performRedo(Action::state_ptr _state){
 | 
|---|
 | 62 |   return Action::failure;
 | 
|---|
 | 63 | }
 | 
|---|
 | 64 | 
 | 
|---|
 | 65 | bool WorldChangeBoxAction::canUndo() {
 | 
|---|
 | 66 |   return false;
 | 
|---|
 | 67 | }
 | 
|---|
 | 68 | 
 | 
|---|
 | 69 | bool WorldChangeBoxAction::shouldUndo() {
 | 
|---|
 | 70 |   return false;
 | 
|---|
 | 71 | }
 | 
|---|
| [1fd675] | 72 | /** =========== end of function ====================== */
 | 
|---|
       
      
  Note:
 See   
TracBrowser
 for help on using the repository browser.