Action_Thermostats
Add_AtomRandomPerturbation
Add_RotateAroundBondAction
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
ChangeBugEmailaddress
ChangingTestPorts
ChemicalSpaceEvaluator
Disabling_MemDebug
Docu_Python_wait
EmpiricalPotential_contain_HomologyGraph_documentation
Enhance_userguide
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Example_ManyWaysToTranslateAtom
Exclude_Hydrogens_annealWithBondGraph
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
PythonUI_with_named_parameters
QtGui_reactivate_TimeChanged_changes
Recreated_GuiChecks
RotateToPrincipalAxisSystem_UndoRedo
StoppableMakroAction
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
Ubuntu_1604_changes
Rev | Line | |
---|
[df9f20] | 1 | /*
|
---|
| 2 | * SurfaceRandomInserter.hpp
|
---|
| 3 | *
|
---|
| 4 | * Created on: Apr 03, 2012
|
---|
| 5 | * Author: heber
|
---|
| 6 | */
|
---|
| 7 |
|
---|
| 8 | #ifndef SURFACERANDOMINSERTER_HPP_
|
---|
| 9 | #define SURFACERANDOMINSERTER_HPP_
|
---|
| 10 |
|
---|
| 11 |
|
---|
| 12 | // include config.h
|
---|
| 13 | #ifdef HAVE_CONFIG_H
|
---|
| 14 | #include <config.h>
|
---|
| 15 | #endif
|
---|
| 16 |
|
---|
| 17 | #include "Filling/Inserter/RandomInserter.hpp"
|
---|
| 18 |
|
---|
| 19 | #include "LinearAlgebra/Vector.hpp"
|
---|
| 20 | #include "Shapes/Shape.hpp"
|
---|
| 21 |
|
---|
| 22 | /** SurfaceRandomInserter extends RandomInserter such that the given \a Cluster
|
---|
| 23 | * is inserted at the given position in such a way as to be aligned perpendicularly
|
---|
| 24 | * away from the surface (but with the usual random displacements)
|
---|
| 25 | *
|
---|
| 26 | * \note We assume that cluster is aligned along the Z axis.
|
---|
| 27 | *
|
---|
| 28 | */
|
---|
| 29 | class SurfaceRandomInserter : public RandomInserter
|
---|
| 30 | {
|
---|
| 31 | public:
|
---|
| 32 | SurfaceRandomInserter(
|
---|
| 33 | const Shape & _s,
|
---|
| 34 | const Vector &_alignedAxis,
|
---|
| 35 | const double _MaxAtomComponent,
|
---|
| 36 | const double _MaxMoleculeComponent);
|
---|
| 37 | ~SurfaceRandomInserter();
|
---|
| 38 |
|
---|
| 39 | bool operator()(ClusterInterface::Cluster_impl cluster, const Vector &offset) const;
|
---|
| 40 |
|
---|
| 41 | private:
|
---|
| 42 | const Shape shape;
|
---|
| 43 | const Vector alignedAxis;
|
---|
| 44 | };
|
---|
| 45 |
|
---|
| 46 |
|
---|
| 47 |
|
---|
| 48 | #endif /* SURFACERANDOMINSERTER_HPP_ */
|
---|
Note:
See
TracBrowser
for help on using the repository browser.