source: src/Tesselation/ellipsoid.hpp@ eaf08f

Fix_FitPartialCharges
Last change on this file since eaf08f was 6bd7e0, checked in by Frederik Heber <heber@…>, 14 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
Line 
1/*
2 * ellipsoid.hpp
3 *
4 * Created on: Jan 20, 2009
5 * Author: heber
6 */
7
8#ifndef ELLIPSOID_HPP_
9#define ELLIPSOID_HPP_
10
11using namespace std;
12
13/*********************************************** includes ***********************************/
14
15// include config.h
16#ifdef HAVE_CONFIG_H
17#include <config.h>
18#endif
19
20#include <gsl/gsl_vector.h>
21
22/****************************************** forward declarations *****************************/
23
24class LinkedCell_deprecated;
25class Vector;
26
27/********************************************** declarations *******************************/
28
29double SquaredDistanceToEllipsoid(Vector &x, Vector &EllipsoidCenter, double *EllipsoidLength, double *EllipsoidAngle);
30double SumSquaredDistance (const gsl_vector * x, void * params);
31bool FitPointSetToEllipsoid(Vector *set, int N, Vector *EllipsoidCenter, double *EllipsoidLength, double *EllipsoidAngle);
32void PickRandomPointSet(class Tesselation *T, Vector *&x, size_t PointsToPick);
33void PickRandomNeighbouredPointSet(class Tesselation *T, class LinkedCell_deprecated *LC, Vector *&x, size_t PointsToPick);
34void FindDistributionOfEllipsoids(class Tesselation *T, class LinkedCell_deprecated *LCList, int N, int number, const char *filename);
35
36#endif /* ELLIPSOID_HPP_ */
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