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/*
* spectrum.c
*
* A class representing a radiation spectrum
*
* Copyright © 2019 Deutsches Elektronen-Synchrotron DESY,
* a research centre of the Helmholtz Association.
*
* Authors:
* 2019 Thomas White <taw@physics.org>
*
* This file is part of CrystFEL.
*
* CrystFEL is free software: you can redistribute it and/or modify
* it under the terms of the GNU General Public License as published by
* the Free Software Foundation, either version 3 of the License, or
* (at your option) any later version.
*
* CrystFEL is distributed in the hope that it will be useful,
* but WITHOUT ANY WARRANTY; without even the implied warranty of
* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
* GNU General Public License for more details.
*
* You should have received a copy of the GNU General Public License
* along with CrystFEL. If not, see <http://www.gnu.org/licenses/>.
*
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
#include "spectrum.h"
#include "utils.h"
/**
* \file spectrum.h
*/
enum spectrumrep
{
SPEC_HISTOGRAM,
SPEC_GAUSSIANS
};
struct _spectrum
{
enum spectrumrep rep;
};
/**
* Create a new \ref Spectrum.
*
* \returns The new spectrum, or NULL on failure.
*
*/
Spectrum *spectrum_new()
{
Spectrum *s;
s = malloc(sizeof(Spectrum));
if ( s == NULL ) return NULL;
return s;
}
/**
* \param s A \ref Spectrum
*
* Frees a \ref Spectrum.
*/
void spectrum_free(Spectrum *s)
{
free(s);
}
/**
* \param s A \ref Spectrum
*
* \returns The number of Gaussians in the spectrum, or zero if \p s is not
* currently represented as Gaussians.
*/
int spectrum_get_num_gaussians(Spectrum *s)
{
return 0;
}
/**
* \param s A \ref Spectrum
* \param n The index number of the required Gaussian
*
* Returns The \p n-th Gaussian in the spectrum. The Gaussians are
* returned in descending order of integrated intensity, indexed from zero.
*
* If \p n is greater than or equal to the number of Gaussians in the spectrum,
* the returned Gaussian will have zero height.
*
* \returns The \p n-th Gaussian.
*/
struct gaussian spectrum_get_gaussian(Spectrum *s, int n)
{
struct gaussian g;
g.kcen = 0.0;
g.sigma = 0.0;
g.height = 0.0;
return g;
}
/**
* \param s A \ref Spectrum
* \param k A wavenumber (in 1/metres)
*
* Retrieves the spectral density at wavenumber \p k.
* This is a sample from a probability density function, so to calculate the
* "amount of intensity" from this, you'll need to multiply the value by a
* small width of k.
*
* \returns The density at \p k.
*/
double spectrum_get_density_at_k(Spectrum *s, double k)
{
return 0.0;
}
/**
* \param s A \ref Spectrum
* \param kmin Location to store minimum k value
* \param kmax Location to store maximum k value
*
* Sets \p kmin and \p kmax to the range of k values in the spectrum. If the
* spectrum is represented as Gaussians, the range returned will be enough to
* contain at least 5 sigmas of all the Gaussians.
*/
void spectrum_get_range(Spectrum *s, double *kmin, double *kmax)
{
}
/**
* \param s A \ref Spectrum
* \param gs Pointer to array of \ref gaussian structures
* \param n_gauss Number of Gaussians in \p gs
*
* Sets the spectrum in terms of a sum of Gaussians.
*/
void spectrum_set_gaussians(Spectrum *s, struct gaussian *gs, int n_gauss)
{
/* FIXME: sort them */
}
/**
* \param s A \ref Spectrum
* \param kcens Pointer to array of k values in the centres of the bins
* \param heights Pointer to array of spectral density values
* \param nbins Number of bins
*
* Sets the spectrum in terms of a histogram.
*/
void spectrum_set_histogram(Spectrum *s, double *kcens, double *heights,
int nbins)
{
}
/**
* \param filename Filename for the input file
*
* Loads the spectrum from \s filename.
*
* \returns A newly allocated \ref Spectrum, or NULL on error.
*/
Spectrum *spectrum_load(const char *filename)
{
return NULL;
}
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