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 1c55b8 was 1c55b8, checked in by Michael Ankele <ankele@…>, 12 years ago |
combined Query super classes into template
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Property mode
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100644
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File size:
1.9 KB
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Rev | Line | |
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[8df74d] | 1 | /*
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| 2 | * Project: MoleCuilder
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| 3 | * Description: creates and alters molecular systems
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[0aa122] | 4 | * Copyright (C) 2010-2012 University of Bonn. All rights reserved.
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[8df74d] | 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 | * VectorTextQuery.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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[ad011c] | 20 | #include "CodePatterns/MemDebug.hpp"
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[8df74d] | 21 |
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| 22 | #include <iostream>
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| 23 |
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[738ae1] | 24 | #include "TextUI/Query/TextQuery.hpp"
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[8df74d] | 25 |
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[ad011c] | 26 | #include "CodePatterns/Log.hpp"
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| 27 | #include "CodePatterns/Verbose.hpp"
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[8df74d] | 28 | #include "LinearAlgebra/Vector.hpp"
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[cca9ef] | 29 | #include "LinearAlgebra/RealSpaceMatrix.hpp"
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[8df74d] | 30 | #include "World.hpp"
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| 31 |
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| 32 |
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[9d5531] | 33 | TextDialog::VectorTextQuery::VectorTextQuery(Parameter<Vector> &_param, std::string title, std::string _description) :
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[1c55b8] | 34 | Dialog::TQuery<Vector>(_param, title,_description)
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[8df74d] | 35 | {}
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| 36 |
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| 37 | TextDialog::VectorTextQuery::~VectorTextQuery()
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| 38 | {}
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| 39 |
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| 40 | bool TextDialog::VectorTextQuery::handle() {
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[d754bb] | 41 | std::cout << getDescription() << std::endl;
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[cca9ef] | 42 | const RealSpaceMatrix &M = World::getInstance().getDomain().getM();
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[8df74d] | 43 | char coords[3] = {'x', 'y', 'z'};
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| 44 | for (int i=0;i<3;i++)
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| 45 | std::cout << coords[i] << "[0.." << M.at(i,i) << ( (i!=2) ? "], " : "]: ");
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| 46 |
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| 47 | std::string line;
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[d754bb] | 48 | getline(std::cin,line);
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[8df74d] | 49 |
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| 50 | // dissect by ","
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| 51 | double coord = 0.;
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| 52 | int counter = 0;
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| 53 | std::string::iterator olditer = line.begin();
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[955b91] | 54 | for(std::string::iterator iter = line.begin(); (iter != line.end()) && (counter != 3); ++iter) {
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[8df74d] | 55 | if (*iter == ',') {
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[955b91] | 56 | std::istringstream stream(std::string(iter, olditer));
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[8df74d] | 57 | stream >> coord;
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[9d5531] | 58 | temp[counter++] = coord;
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[8df74d] | 59 | olditer = iter;
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| 60 | }
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| 61 | }
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| 62 | if ((olditer != line.begin()) && (counter != 3)) { // insert last part also
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[955b91] | 63 | std::istringstream stream(std::string(olditer, line.end()));
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[8df74d] | 64 | stream >> coord;
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[9d5531] | 65 | temp[counter++] = coord;
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[8df74d] | 66 | }
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[9d5531] | 67 | param.set(temp);
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[8df74d] | 68 |
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| 69 | // check vector
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[9d5531] | 70 | return World::getInstance().getDomain().isValid(temp);
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[8df74d] | 71 | }
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| 72 |
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