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 9eb7580 was 9eb7580, checked in by Frederik Heber <heber@…>, 14 years ago |
|
Renamed Matrix setter functions to unify naming.
- Matrix::one -> Matrix::setIdentity
- Matrix::zero -> Matrix::setZero
- Matrix::rotation -> Matrix::setRotation
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-
Property mode
set to
100644
|
|
File size:
1.0 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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| 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 | * BoxQtQueryPipe.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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| [a5ddf0] | 20 | #include "UIElements/Qt4/Pipe/BoxQtQueryPipe.hpp"
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| [8df74d] | 21 | #include "UIElements/Qt4/QtDialog.hpp"
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| 22 |
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| 23 | #include <Qt/qcombobox.h>
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| 24 | #include <Qt/qtablewidget.h>
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| 25 |
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| [a5ddf0] | 26 | #include "Helpers/MemDebug.hpp"
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| [8df74d] | 27 | #include "LinearAlgebra/Matrix.hpp"
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| 28 | #include "Box.hpp"
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| 29 |
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| 30 | BoxQtQueryPipe::BoxQtQueryPipe(Box &_content, QtDialog *_dialog, QTableWidget *_inputTable) :
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| 31 | content(_content),
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| 32 | dialog(_dialog),
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| 33 | inputTable(_inputTable)
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| 34 | {
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| 35 | tmpM = new Matrix();
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| [9eb7580] | 36 | tmpM->setZero();
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| [8df74d] | 37 | }
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| 38 |
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| 39 | BoxQtQueryPipe::~BoxQtQueryPipe()
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| 40 | {
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| 41 | delete tmpM;
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| 42 | }
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| 43 |
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| 44 | void BoxQtQueryPipe::update(int row, int column)
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| 45 | {
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| 46 | tmpM->at(row, column) = inputTable->item(row, column)->text().toDouble();
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| 47 | content.setM(*tmpM);
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| 48 | dialog->update();
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| 49 | }
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| 50 |
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| 51 |
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