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 743eab was b65879, checked in by Frederik Heber <heber@…>, 9 years ago |
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QtMoleculeItems do not store ObservedMolecule::ptr any longer.
- it is given as parameter in updateState().
- in the cstor they only get it to initiate the item text properly.
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-
Property mode
set to
100644
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|
File size:
1.1 KB
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| 1 | /*
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| 2 | * QtMoleculeItem_formula.hpp
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| 3 | *
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| 4 | * Created on: Jan 18, 2015
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | #ifndef QTMOLECULEITEM_FORMULA_HPP_
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| 9 | #define QTMOLECULEITEM_FORMULA_HPP_
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| 10 |
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| 11 | // include config.h
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| 12 | #ifdef HAVE_CONFIG_H
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| 13 | #include <config.h>
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| 14 | #endif
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| 15 |
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| 16 | #include "UIElements/Views/Qt4/MoleculeList/QtMoleculeItem.hpp"
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| 17 |
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| 18 | #include <string>
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| 19 |
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| 20 | class QtMoleculeItemFactory;
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| 21 |
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| 22 | /** This class contains the formula of a molecule and keeps it up to date.
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| 23 | *
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| 24 | */
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| 25 | class QtMoleculeItem_formula : public QtMoleculeItem
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| 26 | {
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| 27 | //!> only allow factory to instantiate items
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| 28 | friend class QtMoleculeItemFactory;
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| 29 |
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| 30 | QtMoleculeItem_formula(
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| 31 | QtObservedMolecule::ptr &_ObservedMolecule)
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| 32 | {
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| 33 | // cannot call pure virtual function in QtMoleculeItem's cstor
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| 34 | updateState(_ObservedMolecule);
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| 35 | }
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| 36 |
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| 37 | /** Performs the update of the molecule's formula.
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| 38 | *
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| 39 | * \param _ObservedMolecule object to update state from
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| 40 | */
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| 41 | void updateState(const QtObservedMolecule::ptr &_ObservedMolecule)
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| 42 | {
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| 43 | setText(QString(_ObservedMolecule->getMolFormula().c_str()));
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| 44 | }
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| 45 |
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| 46 | QtMoleculeItem::COLUMNTYPES getType() const
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| 47 | { return QtMoleculeItem::FORMULA; }
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| 48 | };
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| 49 |
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| 50 |
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| 51 |
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| 52 | #endif /* QTMOLECULEITEM_FORMULA_HPP_ */
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