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Last change
on this file since bf497f was da84d6, checked in by Frederik Heber <heber@…>, 16 years ago |
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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
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Property mode
set to
100644
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File size:
628 bytes
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| 1 | /*
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| 2 | * leastsquaremin.cpp
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| 3 | *
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| 4 | * Created on: Aug 18, 2009
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | #include "leastsquaremin.hpp"
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| 9 |
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| 10 | /** Determines sum of squared distances of \a X to all \a **vectors.
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| 11 | * \param *x reference vector
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| 12 | * \param *params
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| 13 | * \return sum of square distances
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| 14 | */
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| 15 | double LSQ (const gsl_vector * x, void * params)
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| 16 | {
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| 17 | double sum = 0.;
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| 18 | struct LSQ_params *par = (struct LSQ_params *)params;
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| 19 | Vector **vectors = par->vectors;
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| 20 | int num = par->num;
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| 21 |
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| 22 | for (int i=num;i--;) {
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| 23 | for(int j=NDIM;j--;)
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| 24 | sum += (gsl_vector_get(x,j) - (vectors[i])->x[j])*(gsl_vector_get(x,j) - (vectors[i])->x[j]);
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| 25 | }
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| 26 |
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| 27 | return sum;
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| 28 | };
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| 29 |
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