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
      
      
        
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            Last change
 on this file since 9d457d was             1fd675, checked in by Frederik Heber <heber@…>, 15 years ago           | 
        
        
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All Actions are converted to the new macro framework. 
 
- included all three values that have been used to create or convert the files
- createdef.sh
 - createCpp.sh
 - createHeader.sh
 
   
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            File size:
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| 1 | /*
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| 2 |  * Project: MoleCuilder
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| 3 |  * Description: creates and alters molecular systems
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| 4 |  * Copyright (C)  2010 University of Bonn. All rights reserved.
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| 5 |  * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
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| 6 |  */
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| 7 | 
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| 8 | /*
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| 9 |  * BoundInBoxAction.cpp
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| 10 |  *
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| 11 |  *  Created on: May 8, 2010
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| 12 |  *      Author: heber
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| 13 |  */
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| 14 | 
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| 15 | // include config.h
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| 16 | #ifdef HAVE_CONFIG_H
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| 17 | #include <config.h>
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| 18 | #endif
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| 19 | 
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| 20 | #include "Helpers/MemDebug.hpp"
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| 21 | 
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| 22 | #include "Helpers/Log.hpp"
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| 23 | #include "molecule.hpp"
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| 24 | #include "World.hpp"
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| 25 | 
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| 26 | #include <iostream>
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| 27 | #include <string>
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| 28 | #include <vector>
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| 29 | 
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| 30 | using namespace std;
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| 31 | 
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| 32 | #include "Actions/WorldAction/BoundInBoxAction.hpp"
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| 33 | 
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| 34 | // and construct the stuff
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| 35 | #include "BoundInBoxAction.def"
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| 36 | #include "Action_impl_pre.hpp"
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| 37 | /** =========== define the function ====================== */
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| 38 | Action::state_ptr WorldBoundInBoxAction::performCall() {
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| 39 |   // obtain information
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| 40 |   getParametersfromValueStorage();
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| 41 | 
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| 42 |   // center
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| 43 |   vector<molecule*> AllMolecules = World::getInstance().getAllMolecules();
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| 44 |   for (vector<molecule*>::iterator MolRunner = AllMolecules.begin(); MolRunner != AllMolecules.end(); ++MolRunner) {
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| 45 |     (*MolRunner)->BoundInBox();
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| 46 |   }
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| 47 |   return Action::success;
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| 48 | }
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| 49 | 
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| 50 | Action::state_ptr WorldBoundInBoxAction::performUndo(Action::state_ptr _state) {
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| 51 | //  ParserLoadXyzState *state = assert_cast<ParserLoadXyzState*>(_state.get());
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| 52 | 
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| 53 |   return Action::failure;
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| 54 | //  string newName = state->mol->getName();
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| 55 | //  state->mol->setName(state->lastName);
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| 56 | //
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| 57 | //  return Action::state_ptr(new ParserLoadXyzState(state->mol,newName));
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| 58 | }
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| 59 | 
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| 60 | Action::state_ptr WorldBoundInBoxAction::performRedo(Action::state_ptr _state){
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| 61 |   return Action::failure;
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| 62 | }
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| 63 | 
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| 64 | bool WorldBoundInBoxAction::canUndo() {
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| 65 |   return false;
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| 66 | }
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| 67 | 
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| 68 | bool WorldBoundInBoxAction::shouldUndo() {
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| 69 |   return false;
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| 70 | }
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| 71 | 
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| 72 | const string WorldBoundInBoxAction::getName() {
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| 73 |   return NAME;
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| 74 | }
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| 75 | /** =========== end of function ====================== */
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