Action_Thermostats
Add_AtomRandomPerturbation
Add_RotateAroundBondAction
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
Automaking_mpqc_open
AutomationFragmentation_failures
Candidate_v1.6.0
Candidate_v1.6.1
ChangeBugEmailaddress
ChangingTestPorts
ChemicalSpaceEvaluator
Combining_Subpackages
Debian_Package_split
Debian_package_split_molecuildergui_only
Disabling_MemDebug
Docu_Python_wait
EmpiricalPotential_contain_HomologyGraph_documentation
Enable_parallel_make_install
Enhance_userguide
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Example_ManyWaysToTranslateAtom
Exclude_Hydrogens_annealWithBondGraph
FitPartialCharges_GlobalError
Fix_ChronosMutex
Fix_StatusMsg
Fix_StepWorldTime_single_argument
Fix_Verbose_Codepatterns
ForceAnnealing_goodresults
ForceAnnealing_oldresults
ForceAnnealing_tocheck
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
GeometryObjects
Gui_displays_atomic_force_velocity
IndependentFragmentGrids_IntegrationTest
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
JobMarket_unresolvable_hostname_fix
ODR_violation_mpqc_open
PartialCharges_OrthogonalSummation
PythonUI_with_named_parameters
QtGui_reactivate_TimeChanged_changes
Recreated_GuiChecks
RotateToPrincipalAxisSystem_UndoRedo
StoppableMakroAction
Subpackage_levmar
Subpackage_vmg
ThirdParty_MPQC_rebuilt_buildsystem
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
Ubuntu_1604_changes
stable
|
Last change
on this file since 4464ef was 97445f, checked in by Frederik Heber <heber@…>, 9 years ago |
|
World::getMolecules..() now has const versions as well.
|
-
Property mode
set to
100644
|
|
File size:
974 bytes
|
| Line | |
|---|
| 1 | /*
|
|---|
| 2 | * MoleculeSelectionDescriptor_impl.hpp
|
|---|
| 3 | *
|
|---|
| 4 | * Created on: Jul 16, 2010
|
|---|
| 5 | * Author: crueger
|
|---|
| 6 | */
|
|---|
| 7 |
|
|---|
| 8 | #ifndef MOLECULESELECTIONDESCRIPTOR_IMPL_HPP_
|
|---|
| 9 | #define MOLECULESELECTIONDESCRIPTOR_IMPL_HPP_
|
|---|
| 10 |
|
|---|
| 11 | // include config.h
|
|---|
| 12 | #ifdef HAVE_CONFIG_H
|
|---|
| 13 | #include <config.h>
|
|---|
| 14 | #endif
|
|---|
| 15 |
|
|---|
| 16 |
|
|---|
| 17 | #include "Descriptors/MoleculeDescriptor_impl.hpp"
|
|---|
| 18 |
|
|---|
| 19 | class MoleculeSelectionDescriptor_impl : public MoleculeDescriptor_impl{
|
|---|
| 20 | public:
|
|---|
| 21 | MoleculeSelectionDescriptor_impl();
|
|---|
| 22 | virtual ~MoleculeSelectionDescriptor_impl();
|
|---|
| 23 | bool predicate(const std::pair<moleculeId_t,const molecule*> molecule) const;
|
|---|
| 24 | protected:
|
|---|
| 25 | // need to overide more than the standard methods to make this fast
|
|---|
| 26 | virtual molecule *find();
|
|---|
| 27 | virtual const molecule *find() const;
|
|---|
| 28 | virtual std::vector<molecule*> findAll();
|
|---|
| 29 | virtual std::vector<const molecule*> findAll() const;
|
|---|
| 30 |
|
|---|
| 31 | World::MoleculeSet& getSelectedMolecules();
|
|---|
| 32 | const World::MoleculeSet& getSelectedMolecules() const;
|
|---|
| 33 | };
|
|---|
| 34 |
|
|---|
| 35 | #endif /* MOLECULESELECTIONDESCRIPTOR_IMPL_HPP_ */
|
|---|
Note:
See
TracBrowser
for help on using the repository browser.
