Action_Thermostats
Add_AtomRandomPerturbation
Add_RotateAroundBondAction
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.0
Candidate_v1.6.1
ChangeBugEmailaddress
ChangingTestPorts
ChemicalSpaceEvaluator
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
PartialCharges_OrthogonalSummation
PythonUI_with_named_parameters
QtGui_reactivate_TimeChanged_changes
Recreated_GuiChecks
RotateToPrincipalAxisSystem_UndoRedo
StoppableMakroAction
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
Ubuntu_1604_changes
stable
|
Last change
on this file since 0ee9cb3 was 6bd7e0, checked in by Frederik Heber <heber@…>, 13 years ago |
|
Renamed old LinkedCell class to LinkedCell_deprecated.
- this is preparatory for a smooth transition to the new implementation.
- note that class LinkedCell and namespace LinkedCell bite each other so far.
|
-
Property mode
set to
100644
|
|
File size:
1.2 KB
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| Rev | Line | |
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| [6ac7ee] | 1 | /*
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| 2 | * ellipsoid.hpp
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| 3 | *
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| [042f82] | 4 | * Created on: Jan 20, 2009
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| 5 | * Author: heber
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| [6ac7ee] | 6 | */
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| 7 |
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| 8 | #ifndef ELLIPSOID_HPP_
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| 9 | #define ELLIPSOID_HPP_
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| 10 |
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| [f66195] | 11 | using namespace std;
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| 12 |
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| 13 | /*********************************************** includes ***********************************/
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| 14 |
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| [6ac7ee] | 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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| [f66195] | 20 | #include <gsl/gsl_vector.h>
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| 21 |
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| 22 | /****************************************** forward declarations *****************************/
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| 23 |
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| [6bd7e0] | 24 | class LinkedCell_deprecated;
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| [f66195] | 25 | class Vector;
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| 26 |
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| 27 | /********************************************** declarations *******************************/
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| [6ac7ee] | 28 |
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| 29 | double SquaredDistanceToEllipsoid(Vector &x, Vector &EllipsoidCenter, double *EllipsoidLength, double *EllipsoidAngle);
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| 30 | double SumSquaredDistance (const gsl_vector * x, void * params);
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| [e138de] | 31 | bool FitPointSetToEllipsoid(Vector *set, int N, Vector *EllipsoidCenter, double *EllipsoidLength, double *EllipsoidAngle);
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| 32 | void PickRandomPointSet(class Tesselation *T, Vector *&x, size_t PointsToPick);
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| [6bd7e0] | 33 | void PickRandomNeighbouredPointSet(class Tesselation *T, class LinkedCell_deprecated *LC, Vector *&x, size_t PointsToPick);
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| 34 | void FindDistributionOfEllipsoids(class Tesselation *T, class LinkedCell_deprecated *LCList, int N, int number, const char *filename);
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| [6ac7ee] | 35 |
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| 36 | #endif /* ELLIPSOID_HPP_ */
|
|---|
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