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 a099d3 was             ad011c, checked in by Frederik Heber <heber@…>, 15 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 | 
      
      
| Rev | Line |  | 
|---|
| [8df74d] | 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 |  | 
|---|
|  | 8 | /* | 
|---|
|  | 9 | * VectorTextQuery.cpp | 
|---|
|  | 10 | * | 
|---|
|  | 11 | *  Created on: Oct 25, 2010 | 
|---|
|  | 12 | *      Author: heber | 
|---|
|  | 13 | */ | 
|---|
|  | 14 |  | 
|---|
|  | 15 | // include config.h | 
|---|
|  | 16 | #ifdef HAVE_CONFIG_H | 
|---|
|  | 17 | #include <config.h> | 
|---|
|  | 18 | #endif | 
|---|
|  | 19 |  | 
|---|
| [ad011c] | 20 | #include "CodePatterns/MemDebug.hpp" | 
|---|
| [8df74d] | 21 |  | 
|---|
|  | 22 | #include <iostream> | 
|---|
|  | 23 |  | 
|---|
| [738ae1] | 24 | #include "TextUI/Query/TextQuery.hpp" | 
|---|
| [8df74d] | 25 |  | 
|---|
| [ad011c] | 26 | #include "CodePatterns/Log.hpp" | 
|---|
|  | 27 | #include "CodePatterns/Verbose.hpp" | 
|---|
| [8df74d] | 28 | #include "LinearAlgebra/Vector.hpp" | 
|---|
| [cca9ef] | 29 | #include "LinearAlgebra/RealSpaceMatrix.hpp" | 
|---|
| [8df74d] | 30 | #include "World.hpp" | 
|---|
|  | 31 |  | 
|---|
|  | 32 |  | 
|---|
|  | 33 | TextDialog::VectorTextQuery::VectorTextQuery(std::string title, bool _check, std::string _description) : | 
|---|
|  | 34 | Dialog::VectorQuery(title,_check,_description) | 
|---|
|  | 35 | {} | 
|---|
|  | 36 |  | 
|---|
|  | 37 | TextDialog::VectorTextQuery::~VectorTextQuery() | 
|---|
|  | 38 | {} | 
|---|
|  | 39 |  | 
|---|
|  | 40 | bool TextDialog::VectorTextQuery::handle() { | 
|---|
| [d754bb] | 41 | std::cout << getDescription() << std::endl; | 
|---|
| [cca9ef] | 42 | const RealSpaceMatrix &M = World::getInstance().getDomain().getM(); | 
|---|
| [8df74d] | 43 | char coords[3] = {'x', 'y', 'z'}; | 
|---|
|  | 44 | for (int i=0;i<3;i++) | 
|---|
|  | 45 | std::cout << coords[i] << "[0.." << M.at(i,i) << ( (i!=2) ? "], " : "]: "); | 
|---|
|  | 46 |  | 
|---|
|  | 47 | std::string line; | 
|---|
| [d754bb] | 48 | getline(std::cin,line); | 
|---|
| [8df74d] | 49 |  | 
|---|
|  | 50 | // dissect by "," | 
|---|
|  | 51 | double coord = 0.; | 
|---|
|  | 52 | int counter = 0; | 
|---|
|  | 53 | std::string::iterator olditer = line.begin(); | 
|---|
|  | 54 | for(string::iterator iter = line.begin(); (iter != line.end()) && (counter != 3); ++iter) { | 
|---|
|  | 55 | if (*iter == ',') { | 
|---|
|  | 56 | std::istringstream stream(string(iter, olditer)); | 
|---|
|  | 57 | stream >> coord; | 
|---|
|  | 58 | tmp[counter++] = coord; | 
|---|
|  | 59 | olditer = iter; | 
|---|
|  | 60 | } | 
|---|
|  | 61 | } | 
|---|
|  | 62 | if ((olditer != line.begin()) && (counter != 3)) { // insert last part also | 
|---|
|  | 63 | std::istringstream stream(string(olditer, line.end())); | 
|---|
|  | 64 | stream >> coord; | 
|---|
|  | 65 | tmp[counter++] = coord; | 
|---|
|  | 66 | } | 
|---|
|  | 67 |  | 
|---|
|  | 68 | // check vector | 
|---|
|  | 69 | return World::getInstance().getDomain().isInside(tmp); | 
|---|
|  | 70 | } | 
|---|
|  | 71 |  | 
|---|
       
      
  Note:
 See   
TracBrowser
 for help on using the repository browser.