source: src/leastsquaremin.hpp@ d3dfe18

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Last change on this file since d3dfe18 was 54a746, checked in by Frederik Heber <heber@…>, 16 years ago

Incorporation of Unit test on class Vector.

  • new file leastsquaremin.[ch]pp has least square minimisation which is otherwise unclean between classes molecules and Vector

Unit test (later tests rely on good results of earlier ones)

changes to class Vector:

  • Vector::IsNull() -> IsZero()
  • new function Vector::IsOne() similar to IsZero()
  • BUGFIX: Vector::IsNULL() (thx to unit test :)
  • Tesselation::getAngle() changed due to above rename
  • Property mode set to 100644
File size: 533 bytes
RevLine 
[54a746]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
11#include "vector.hpp"
12
13class element;
14class molecule;
15
16/** Parameter structure for least square minimsation.
17 */
18struct LSQ_params {
19 Vector **vectors;
20 int num;
21};
22
23double LSQ(const gsl_vector * x, void * params);
24
25/** Parameter structure for least square minimsation.
26 */
27struct lsq_params {
28 gsl_vector *x;
29 const molecule *mol;
30 element *type;
31};
32
33
34
35#endif /* LEASTSQUAREMIN_HPP_ */
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