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:
1.8 KB
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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 | * ChangeBoxAction.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 "CodePatterns/MemDebug.hpp"
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21 |
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22 | #include "CodePatterns/Log.hpp"
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23 | #include "CodePatterns/Verbose.hpp"
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24 | #include "World.hpp"
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25 | #include "Box.hpp"
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26 | #include "LinearAlgebra/RealSpaceMatrix.hpp"
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27 |
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28 | #include <iostream>
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29 | #include <string>
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30 |
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31 | using namespace std;
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32 |
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33 | #include "Actions/WorldAction/ChangeBoxAction.hpp"
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34 |
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35 | // and construct the stuff
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36 | #include "ChangeBoxAction.def"
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37 | #include "Action_impl_pre.hpp"
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38 | /** =========== define the function ====================== */
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39 | Action::state_ptr WorldChangeBoxAction::performCall() {
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40 | // obtain information
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41 | getParametersfromValueStorage();
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42 |
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43 | World::getInstance().setDomain(params.cell_size.getM()); // this is needed as only this function is OBSERVEd.
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44 |
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45 | DoLog(0) && (Log() << Verbose(0) << "Setting box domain to " << World::getInstance().getDomain().getM() << endl);
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46 | return Action::success;
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47 | }
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48 |
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49 | Action::state_ptr WorldChangeBoxAction::performUndo(Action::state_ptr _state) {
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50 | // ParserLoadXyzState *state = assert_cast<ParserLoadXyzState*>(_state.get());
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51 |
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52 | return Action::failure;
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53 | // string newName = state->mol->getName();
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54 | // state->mol->setName(state->lastName);
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55 | //
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56 | // return Action::state_ptr(new ParserLoadXyzState(state->mol,newName));
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57 | }
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58 |
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59 | Action::state_ptr WorldChangeBoxAction::performRedo(Action::state_ptr _state){
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60 | return Action::failure;
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61 | }
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62 |
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63 | bool WorldChangeBoxAction::canUndo() {
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64 | return false;
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65 | }
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66 |
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67 | bool WorldChangeBoxAction::shouldUndo() {
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68 | return false;
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69 | }
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70 | /** =========== end of function ====================== */
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