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 688fb6 was             f10b0c, checked in by Frederik Heber <heber@…>, 13 years ago           | 
        
        
          | 
             
disastrously big and ugly commit 
 
- using new Parameter<T> classes:
- Actions
 - Queries (all UIs)
 
  
 - TODO:
- actions crash cause Value is unset
 - no query<BoxVector>
 
   
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            File size:
            1.7 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)  2010-2012 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 |  * VectorsCommandLineQuery.cpp
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| 10 |  *
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| 11 |  *  Created on: Oct 25, 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 <vector>
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| 23 | 
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| 24 | #include "Actions/Values.hpp"
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| 25 | #include "CommandLineUI/Query/CommandLineQuery.hpp"
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| 26 | #include "CommandLineUI/CommandLineParser.hpp"
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| 27 | #include "CodePatterns/Log.hpp"
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| 28 | #include "CodePatterns/Verbose.hpp"
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| 29 | #include "World.hpp"
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| 30 | 
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| 31 | CommandLineDialog::VectorsCommandLineQuery::VectorsCommandLineQuery(Parameter<std::vector<Vector> > ¶m, std::string title, bool _check, std::string _description) :
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| 32 |     Dialog::VectorsQuery(param, title,_check, _description)
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| 33 | {}
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| 34 | 
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| 35 | CommandLineDialog::VectorsCommandLineQuery::~VectorsCommandLineQuery()
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| 36 | {}
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| 37 | 
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| 38 | bool CommandLineDialog::VectorsCommandLineQuery::handle() {
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| 39 |   std::vector<VectorValue> temporary;
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| 40 |   if (CommandLineParser::getInstance().vm.count(getTitle())) {
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| 41 |     temporary = CommandLineParser::getInstance().vm[getTitle()].as< std::vector<VectorValue> >();
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| 42 |     std::vector<Vector> temp_vectors;
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| 43 |     for(std::vector<VectorValue>::iterator iter = temporary.begin(); iter != temporary.end(); ++iter) {
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| 44 |       temp = (*iter).toVector();
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| 45 |       if ((!check) || (World::getInstance().getDomain().isValid(temp)))
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| 46 |         temp_vectors.push_back(temp);
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| 47 |       else
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| 48 |         ELOG(1, "Vector " << temp << " would be outside of box domain.");
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| 49 |     }
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| 50 |     tmp.set(temp_vectors);
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| 51 |     return true;
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| 52 |   } else {
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| 53 |     ELOG(1, "CommandLineUI parsing error: Missing vectors for " << getTitle() << ".");
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| 54 |     return false;
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| 55 |   }
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| 56 | }
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| 57 | 
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