Material data interpolator + Mie T-matrix convenience functions.
Former-commit-id: 59c9a53bff38a46e357f091c084655192faddb51
This commit is contained in:
Marek Nečada
parent
eafd1609a5
commit
115d1d07fe
127
qpms/tmatrices.c
127
qpms/tmatrices.c
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@ -20,6 +20,7 @@
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#define HBAR (1.05457162825e-34)
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#define ELECTRONVOLT (1.602176487e-19)
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#define SPEED_OF_LIGHT (2.99792458e8)
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#define SCUFF_OMEGAUNIT (3e14)
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#define SQ(x) ((x)*(x))
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@ -539,3 +540,129 @@ qpms_errno_t qpms_tmatrix_spherical_fill(qpms_tmatrix_t *t, ///< T-matrix whose
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return QPMS_SUCCESS;
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}
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qpms_permittivity_interpolator_t *qpms_permittivity_interpolator_create(
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const size_t incount, const double *wavelen_m, const double *n, const double *k,
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const gsl_interp_type *iptype)
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{
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if (incount <= 0) return NULL;
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qpms_permittivity_interpolator_t *ip;
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QPMS_CRASHING_MALLOC(ip, sizeof(qpms_permittivity_interpolator_t));
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ip->spline_n = gsl_spline_alloc(iptype, incount);
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ip->spline_k = gsl_spline_alloc(iptype, incount);
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QPMS_ENSURE_SUCCESS(gsl_spline_init(ip->spline_n, wavelen_m, n, incount));
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QPMS_ENSURE_SUCCESS(gsl_spline_init(ip->spline_k, wavelen_m, k, incount));
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return ip;
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}
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void qpms_permittivity_interpolator_free(qpms_permittivity_interpolator_t *interp)
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{
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if(interp) {
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gsl_spline_free(interp->spline_n);
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gsl_spline_free(interp->spline_k);
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}
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free(interp);
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}
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qpms_errno_t qpms_read_refractiveindex_yml(
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FILE *f, ///< file handle
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size_t *const count, ///< Number of successfully loaded triples.
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double* *const lambdas_m, ///< Vacuum wavelengths in metres.
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double* *const n, ///< Read refraction indices.
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double* *const k ///< Read attenuation coeffs.
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)
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{
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QPMS_ENSURE(f && lambdas_m && n && k,"f, lambdas_m, n, k are mandatory arguments and must not be NULL.");
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int count_alloc = 128; // First chunk to allocate
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*count = 0;
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QPMS_CRASHING_MALLOC(*lambdas_m, count_alloc * sizeof(double));
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QPMS_CRASHING_MALLOC(*n, count_alloc * sizeof(double));
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QPMS_CRASHING_MALLOC(*k, count_alloc * sizeof(double));
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size_t linebufsz = 256;
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char *linebuf;
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QPMS_CRASHING_MALLOC(linebuf, linebufsz);
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ssize_t readchars;
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bool data_started = false;
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while((readchars = getline(&linebuf, &linebufsz, f)) != -1) {
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if (linebuf[0] == '#') continue;
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// We need to find the beginning of the tabulated data; everything before that is ignored.
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if (!data_started) {
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char *test = strstr(linebuf, "data: |");
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if(test) data_started = true;
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continue;
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}
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if (3 == sscanf(linebuf, "%lf %lf %lf", *lambdas_m + *count, *n + *count , *k + *count)) {
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(*lambdas_m)[*count] *= 1e-6; // The original data is in micrometres.
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++*count;
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if (*count > count_alloc) {
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count_alloc *= 2;
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QPMS_CRASHING_REALLOC(*lambdas_m, count_alloc * sizeof(double));
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QPMS_CRASHING_REALLOC(*n, count_alloc * sizeof(double));
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QPMS_CRASHING_REALLOC(*k, count_alloc * sizeof(double));
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}
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} else break;
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}
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QPMS_ENSURE(*count > 0, "Could not read any refractive index data; the format must be wrong!");
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free(linebuf);
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return QPMS_SUCCESS;
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}
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qpms_errno_t qpms_load_refractiveindex_yml(
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const char *path,
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size_t *const count, ///< Number of successfully loaded triples.
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double* *const lambdas_m, ///< Vacuum wavelengths in metres.
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double* *const n, ///< Read refraction indices.
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double* *const k ///< Read attenuation coeffs.
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)
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{
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FILE *f = fopen(path, "r");
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QPMS_ENSURE(f, "Could not open refractive index file %s", path);
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qpms_errno_t retval =
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qpms_read_refractiveindex_yml(f, count, lambdas_m, n, k);
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QPMS_ENSURE_SUCCESS(fclose(f));
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return retval;
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}
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qpms_permittivity_interpolator_t *qpms_permittivity_interpolator_from_yml(
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const char *path, ///< Path to the yml file.
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const gsl_interp_type *iptype ///< GSL interpolator type
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)
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{
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size_t count;
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double *lambdas_m, *n, *k;
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QPMS_ENSURE_SUCCESS(qpms_load_refractiveindex_yml(path, &count, &lambdas_m, &n, &k));
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qpms_permittivity_interpolator_t *ip = qpms_permittivity_interpolator_create(
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count, lambdas_m, n, k, iptype);
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free(lambdas_m);
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free(n);
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free(k);
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return ip;
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}
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complex double qpms_permittivity_interpolator_eps_at_omega(
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const qpms_permittivity_interpolator_t *ip, double omega_SI)
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{
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double lambda, n, k;
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lambda = 2*M_PI*SPEED_OF_LIGHT/omega_SI;
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n = gsl_spline_eval(ip->spline_n, lambda, NULL);
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k = gsl_spline_eval(ip->spline_k, lambda, NULL);
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complex double epsilon = n*n - k*k + 2*n*k*I;
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return epsilon;
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}
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/// Convenience function to calculate T-matrix of a non-magnetic spherical \
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particle using the permittivity values, replacing existing T-matrix data.
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qpms_errno_t qpms_tmatrix_spherical_mu0_fill(
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qpms_tmatrix_t *t, ///< T-matrix whose contents are to be replaced. Not NULL.
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double a, ///< Radius of the sphere.
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double omega, ///< Angular frequency.
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complex double epsilon_fg, ///< Permittivity of the sphere.
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complex double epsilon_bg ///< Permittivity of the background medium.
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)
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{
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complex double k_i = csqrt(epsilon_fg) * omega / SPEED_OF_LIGHT;
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complex double k_e = csqrt(epsilon_bg) * omega / SPEED_OF_LIGHT;
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return qpms_tmatrix_spherical_fill(t, a, k_i, k_e, 1, 1);
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}
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@ -5,6 +5,7 @@
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#define TMATRICES_H
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#include "qpms_types.h"
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#include <gsl/gsl_spline.h>
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#include <stdio.h>
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struct qpms_finite_group_t;
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typedef struct qpms_finite_group_t qpms_finite_group_t;
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@ -137,6 +138,7 @@ qpms_errno_t qpms_load_scuff_tmatrix(
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qpms_tmatrix_t **tmatrices_array,
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complex double **tmdata ///< The T-matrices raw contents
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);
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/// Loads a scuff-tmatrix generated file.
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/** A simple wrapper over qpms_read_scuff_tmatrix() that needs a
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* path instead of open FILE.
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@ -248,6 +250,33 @@ qpms_tmatrix_interpolator_t *qpms_tmatrix_interpolator_create(size_t n, ///< Num
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//, bool copy_bspec ///< if true, copies its own copy of basis spec from the first T-matrix.
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/*, ...? */);
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/// Interpolator of tabulated optical properties.
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typedef struct qpms_permittivity_interpolator_t {
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gsl_spline *spline_n;
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gsl_spline *spline_k;
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} qpms_permittivity_interpolator_t;
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/// Creates a permittivity interpolator from tabulated wavelengths, refraction indices and extinction coeffs.
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qpms_permittivity_interpolator_t *qpms_permittivity_interpolator_create(const size_t incount,
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const double *wavelength_m, ///< Tabulated vacuum wavelength in metres, in strictly increasing order.
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const double *n, ///< Tabulated refraction indices at omega.
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const double *k, ///< Tabulated extinction coefficients.
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const gsl_interp_type *iptype ///< GSL interpolator type
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);
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/// Creates a permittivity interpolator from an yml file downloaded from refractiveindex.info website.
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qpms_permittivity_interpolator_t *qpms_permittivity_interpolator_from_yml(
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const char *path, ///< Path to the yml file.
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const gsl_interp_type *iptype ///< GSL interpolator type
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);
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/// Evaluates interpolated material permittivity at a given angular frequency.
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complex double qpms_permittivity_interpolator_eps_at_omega(const qpms_permittivity_interpolator_t *interp, double omega_SI);
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/// Destroy a permittivity interpolator.
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void qpms_permittivity_interpolator_free(qpms_permittivity_interpolator_t *interp);
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/// Calculates the reflection Mie-Lorentz coefficients for a spherical particle.
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/**
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* This function is based on the previous python implementation mie_coefficients() from qpms_p.py,
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@ -298,7 +327,7 @@ static inline qpms_tmatrix_t *qpms_tmatrix_spherical(
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/// Relative permittivity from the Drude model.
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static inline complex double qpms_drude_epsilon(
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complex double eps_inf, ///< Permittivity at
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complex double eps_inf, ///< Relative permittivity "at infinity".
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complex double omega_p, ///< Plasma frequency \f$ \omega_p \f$ of the material.
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complex double gamma_p, ///< Decay constant \f$ \gamma_p \f$ of the material.
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complex double omega ///< Frequency \f$ \omega \f$ at which the permittivity is evaluated.
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@ -306,6 +335,31 @@ static inline complex double qpms_drude_epsilon(
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return eps_inf - omega_p*omega_p/(omega*(omega+I*gamma_p));
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}
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/// Convenience function to calculate T-matrix of a non-magnetic spherical \
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particle using the permittivity values, replacing existing T-matrix data.
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qpms_errno_t qpms_tmatrix_spherical_mu0_fill(
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qpms_tmatrix_t *t, ///< T-matrix whose contents are to be replaced. Not NULL.
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double a, ///< Radius of the sphere.
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double omega, ///< Angular frequency.
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complex double epsilon_fg, ///< Relative permittivity of the sphere.
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complex double epsilon_bg ///< Relative permittivity of the background medium.
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);
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/// Convenience function to calculate T-matrix of a non-magnetic spherical particle using the permittivity values.
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static inline qpms_tmatrix_t *qpms_tmatrix_spherical_mu0(
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const qpms_vswf_set_spec_t *bspec,
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double a, ///< Radius of the sphere.
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double omega, ///< Angular frequency.
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complex double epsilon_fg, ///< Relative permittivity of the sphere.
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complex double epsilon_bg ///< Relative permittivity of the background medium.
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) {
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qpms_tmatrix_t *t = qpms_tmatrix_init(bspec);
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qpms_tmatrix_spherical_mu0_fill(t, a, omega, epsilon_fg, epsilon_bg);
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};
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#if 0
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// Abstract types that describe T-matrix/particle/scatsystem symmetries
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// To be implemented later. See also the thoughts in the beginning of groups.h.
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