source: src/leastsquaremin.cpp@ 5b9bba

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Last change on this file since 5b9bba was 776b64, checked in by Frederik Heber <heber@…>, 15 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: 684 bytes
RevLine 
[54a746]1/*
2 * leastsquaremin.cpp
3 *
4 * Created on: Aug 18, 2009
5 * Author: heber
6 */
7
[f66195]8#include <iostream>
9
[54a746]10#include "leastsquaremin.hpp"
[f66195]11#include "vector.hpp"
[54a746]12
13/** Determines sum of squared distances of \a X to all \a **vectors.
14 * \param *x reference vector
15 * \param *params
16 * \return sum of square distances
17 */
[776b64]18double LSQ (const gsl_vector * const x, void * params)
[54a746]19{
20 double sum = 0.;
21 struct LSQ_params *par = (struct LSQ_params *)params;
[776b64]22 const Vector ** vectors = par->vectors;
[54a746]23 int num = par->num;
24
25 for (int i=num;i--;) {
26 for(int j=NDIM;j--;)
27 sum += (gsl_vector_get(x,j) - (vectors[i])->x[j])*(gsl_vector_get(x,j) - (vectors[i])->x[j]);
28 }
29
30 return sum;
31};
32
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