source: molecuilder/src/leastsquaremin.hpp@ 1e0785

Last change on this file since 1e0785 was a9b2a0a, checked in by Frederik Heber <heber@…>, 16 years ago

Huge refactoring to make const what is const (ticket #38), continued.

  • too many changes because of too many cross-references to be able to list them up here.
  • NOTE that "make check" runs fine and did catch several error.
  • note that we had to use const_iterator several times when the map, ... was declared const.
  • at times we changed an allocated LinkedCell LCList(...) into

const LinkedCell *LCList;
LCList = new LinkedCell(...);

  • also mutable (see ticket #5) was used, e.g. for molecule::InternalPointer (PointCloud changes are allowed, because they are just accounting).

Signed-off-by: Frederik Heber <heber@…>
  • Property mode set to 100644
File size: 944 bytes
Line 
1/*
2 * leastsquaremin.hpp
3 *
4 * Created on: Aug 18, 2009
5 * Author: heber
6 */
7
8#ifndef LEASTSQUAREMIN_HPP_
9#define LEASTSQUAREMIN_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 element;
25class molecule;
26class Vector;
27
28/********************************************** declarations *******************************/
29
30/** Parameter structure for least square minimsation.
31 */
32struct LSQ_params {
33 const Vector **vectors;
34 int num;
35};
36
37double LSQ(const gsl_vector * const x, void * params);
38
39/** Parameter structure for least square minimsation.
40 */
41struct lsq_params {
42 gsl_vector *x;
43 const molecule *mol;
44 element *type;
45};
46
47
48
49#endif /* LEASTSQUAREMIN_HPP_ */
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