star-sf

Set of surface and volume scattering functions
git clone git://git.meso-star.fr/star-sf.git
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commit 3a93ad1530eda7d01df6d8d68cd26b185ab12b69
parent 7c109d95cbe83ee182cb2d6d31fae917c2be6467
Author: Vincent Forest <vincent.forest@meso-star.com>
Date:   Thu,  1 Apr 2021 16:50:56 +0200

Update the RDG-FA phase function

Merge the two angular domains and thus remove the computation of a limit
angle between them.

Diffstat:
Msrc/ssf.h | 9++++-----
Msrc/ssf_phase_rdgfa.c | 85+++++++++++++++++++------------------------------------------------------------
Msrc/test_ssf_phase_rdgfa.c | 21+++++++++++++--------
Dsrc/test_ssf_phase_rdgfa_ref_cumul.h | 2031-------------------------------------------------------------------------------
4 files changed, 37 insertions(+), 2109 deletions(-)

diff --git a/src/ssf.h b/src/ssf.h @@ -192,10 +192,10 @@ struct ssf_phase_rdgfa_setup_args { double fractal_dimension; /* No unit */ double gyration_radius; /* In nm */ - /* #intervals used to discretized the both angular domains */ - size_t nintervals[2]; + /* #intervals used to discretized the angular domain */ + size_t nintervals; }; -#define SSF_PHASE_RDGFA_SETUP_ARGS_DEFAULT__ {0,0,0,{1000,1000}} +#define SSF_PHASE_RDGFA_SETUP_ARGS_DEFAULT__ {0,0,0,1000} static const struct ssf_phase_rdgfa_setup_args SSF_PHASE_RDGFA_SETUP_ARGS_DEFAULT = SSF_PHASE_RDGFA_SETUP_ARGS_DEFAULT__; @@ -204,11 +204,10 @@ struct ssf_phase_rdgfa_desc { double fractal_dimension; /* No unit */ double gyration_radius; /* In nm */ - double theta_limit; /* Angle that splits the 2 angular domains. In rad */ double normalization_factor; /* Normalization factor of the cumulative */ size_t nintervals; /* #intervals used to discretized the cumulative */ }; -#define SSF_PHASE_RDGFA_DESC_NULL__ {0,0,0,0,0,0} +#define SSF_PHASE_RDGFA_DESC_NULL__ {0,0,0,0,0} static const struct ssf_phase_rdgfa_desc SSF_PHASE_RDGFA_DESC_NULL = SSF_PHASE_RDGFA_DESC_NULL__; diff --git a/src/ssf_phase_rdgfa.c b/src/ssf_phase_rdgfa.c @@ -39,15 +39,11 @@ struct rdgfa { double cst_3Df_div_2E; /* 3*Df/(2*exp(1)) */ double g; /* g function */ - /* #intervals used to discretized both the [0,theta_limit[ and - * [theta_limit,pi[ intervals */ - size_t nintervals[2]; + /* #intervals used to discretize the [0,pi[ angular domain */ + size_t nintervals; - /* Length of an angular interval for the tow angular domains */ - double dtheta[2]; /* In rad */ - - /* Limit angle that splits the 2 angular domains */ - double theta_limit; /* In rad */ + /* Length of an angular interval */ + double dtheta; /* In rad */ }; /******************************************************************************* @@ -60,8 +56,7 @@ check_phase_rdgfa_setup_args(const struct ssf_phase_rdgfa_setup_args* args) && args->wavelength > 0 && args->fractal_dimension > 0 && args->gyration_radius > 0 - && args->nintervals[0] != 0 - && args->nintervals[1] != 0; + && args->nintervals != 0; } static INLINE int @@ -78,29 +73,6 @@ cmp_dbl(const void* a, const void* b) } } -/* Compute the angular range of an interval */ -static INLINE void -compute_interval_angular_range - (const struct rdgfa* rdgfa, - const size_t interval, - double angular_range[2]) -{ - ASSERT(rdgfa && interval < rdgfa->nintervals[0] + rdgfa->nintervals[1]); - ASSERT(angular_range); - - /* First angular domain in [0, theta_limit[ */ - if(interval < rdgfa->nintervals[0]) { - angular_range[0] = rdgfa->dtheta[0] * (double)(interval + 0); - angular_range[1] = rdgfa->dtheta[0] * (double)(interval + 1); - - /* Second angular domain in [theta_limit, PI[ */ - } else { - const size_t i = interval - rdgfa->nintervals[0]; - angular_range[0] = rdgfa->dtheta[1] * (double)(i + 0) + rdgfa->theta_limit; - angular_range[1] = rdgfa->dtheta[1] * (double)(i + 1) + rdgfa->theta_limit; - } -} - static INLINE double eval_f(struct rdgfa* rdgfa, const double theta) { @@ -155,44 +127,27 @@ static res_T compute_cumulative(struct rdgfa* rdgfa) { double* cdf = NULL; - double Df, Rg; double f1; double theta1; size_t i; - size_t nintervals_total; res_T res = RES_OK; - /* Compute the overall number of angular intervals */ - nintervals_total = rdgfa->nintervals[0] + rdgfa->nintervals[1]; - /* Allocate the cumulative array */ - res = darray_double_resize(&rdgfa->cdf, nintervals_total); + res = darray_double_resize(&rdgfa->cdf, rdgfa->nintervals); if(res != RES_OK) goto error; cdf = darray_double_data_get(&rdgfa->cdf); - /* Fetch input arguments */ - Df = rdgfa->fractal_dimension; - Rg = rdgfa->gyration_radius; - - /* Compute the limit angle between the 2 angular domains */ - rdgfa->theta_limit = 2 * asin(rdgfa->wavelength/(4*PI) * sqrt(1.5*Df) / Rg); - - /* Compute the angular step for the 2 angular domains */ - rdgfa->dtheta[0] = rdgfa->theta_limit / (double)rdgfa->nintervals[0]; - rdgfa->dtheta[1] = (PI - rdgfa->theta_limit) / (double)rdgfa->nintervals[1]; + /* Compute the angular step for the angular domain */ + rdgfa->dtheta = PI / (double)rdgfa->nintervals; theta1 = 0; f1 = eval(rdgfa, 0); - FOR_EACH(i, 0, nintervals_total) { - /* Fetch the current angular step */ - const double dtheta_curr = i < rdgfa->nintervals[0] - ? rdgfa->dtheta[0] : rdgfa->dtheta[1]; - - /* Compute the upper bound of the currant angular range */ - const double theta2 = theta1 + dtheta_curr; + FOR_EACH(i, 0, rdgfa->nintervals) { + /* Compute the upper bound of the current angular range */ + const double theta2 = theta1 + rdgfa->dtheta; /* Compute the (unormalized) cumulative for current interval */ - const double delta_omega = 2*PI*sin((theta1+theta2)*0.5)*dtheta_curr; + const double delta_omega = 2*PI*sin((theta1+theta2)*0.5)*rdgfa->dtheta; const double f2 = eval(rdgfa, theta2); const double tmp = (f1 + f2) * 0.5 * delta_omega; cdf[i] = (i == 0 ? tmp : tmp + cdf[i-1]); @@ -203,10 +158,10 @@ compute_cumulative(struct rdgfa* rdgfa) } /* Save the normamlization factor */ - rdgfa->rcp_normalize_factor = 1.0 / cdf[nintervals_total-1]; + rdgfa->rcp_normalize_factor = 1.0 / cdf[rdgfa->nintervals-1]; /* Finally normalize the CDF */ - FOR_EACH(i, 0, nintervals_total) { + FOR_EACH(i, 0, rdgfa->nintervals) { cdf[i] *= rdgfa->rcp_normalize_factor; } @@ -283,7 +238,8 @@ rdgfa_sample i = (size_t)(find - cdf); /* Compute the angular range into which the sample lies */ - compute_interval_angular_range(rdgfa, i, thetas); + thetas[0] = rdgfa->dtheta * (double)(i + 0); + thetas[1] = rdgfa->dtheta * (double)(i + 1); /* Compute the sampled theta angle by linearly interpolate it from the * boundaries of its interval */ @@ -351,8 +307,7 @@ ssf_phase_rdgfa_setup rdgfa->wavelength = args->wavelength; rdgfa->fractal_dimension = args->fractal_dimension; rdgfa->gyration_radius = args->gyration_radius; - rdgfa->nintervals[0] = args->nintervals[0]; - rdgfa->nintervals[1] = args->nintervals[1]; + rdgfa->nintervals = args->nintervals; /* Fetch input data */ lambda = rdgfa->wavelength; @@ -396,9 +351,8 @@ ssf_phase_rdgfa_get_desc desc->wavelength = rdgfa->wavelength; desc->gyration_radius = rdgfa->gyration_radius; desc->fractal_dimension = rdgfa->fractal_dimension; - desc->theta_limit = rdgfa->theta_limit; desc->normalization_factor = 1.0/rdgfa->rcp_normalize_factor; - desc->nintervals = rdgfa->nintervals[0] + rdgfa->nintervals[1]; + desc->nintervals = rdgfa->nintervals; exit: return res; @@ -426,7 +380,8 @@ ssf_phase_rdgfa_get_interval goto error; } - compute_interval_angular_range(rdgfa, interval_id, interval->range); + interval->range[0] = rdgfa->dtheta * (double)(interval_id + 0); + interval->range[1] = rdgfa->dtheta * (double)(interval_id + 1); interval->cumulative = darray_double_cdata_get(&rdgfa->cdf)[interval_id]; exit: diff --git a/src/test_ssf_phase_rdgfa.c b/src/test_ssf_phase_rdgfa.c @@ -15,7 +15,6 @@ #include "ssf.h" #include "test_ssf_utils.h" -#include "test_ssf_phase_rdgfa_ref_cumul.h" int main(int argc, char** argv) @@ -29,6 +28,7 @@ main(int argc, char** argv) struct ssf_phase* phase; struct ssf_phase* dummy; struct ssp_rng* rng; + double cumulative_prev; double wo[3]; size_t i; (void)argc, (void)argv; @@ -42,8 +42,7 @@ main(int argc, char** argv) args.wavelength = 633; args.fractal_dimension = 1.75; args.gyration_radius = 385.17247758644652; - args.nintervals[0] = 1000; - args.nintervals[1] = 1000; + args.nintervals = 1000; CHK(ssf_phase_rdgfa_setup(NULL, &args) == RES_BAD_ARG); CHK(ssf_phase_rdgfa_setup(phase, NULL) == RES_BAD_ARG); CHK(ssf_phase_rdgfa_setup(dummy, &args) == RES_BAD_ARG); @@ -57,21 +56,27 @@ main(int argc, char** argv) CHK(desc.wavelength == args.wavelength); CHK(desc.fractal_dimension == args.fractal_dimension); CHK(desc.gyration_radius == args.gyration_radius); - CHK(desc.nintervals = args.nintervals[0] + args.nintervals[1]); + CHK(desc.nintervals = args.nintervals); CHK(ssf_phase_rdgfa_get_interval(NULL, 0, &interval) == RES_BAD_ARG); CHK(ssf_phase_rdgfa_get_interval(phase, desc.nintervals+1, &interval) == RES_BAD_ARG); CHK(ssf_phase_rdgfa_get_interval(phase, 0, NULL) == RES_BAD_ARG); + cumulative_prev = 0; FOR_EACH(i, 0, desc.nintervals) { - const struct ssf_phase_rdgfa_interval* ref = phase_rdgfa_ref_cumul + i; + double range[2]; + + range[0] = PI/(double)desc.nintervals * (double)(i+0); + range[1] = PI/(double)desc.nintervals * (double)(i+1); CHK(ssf_phase_rdgfa_get_interval(phase, i, &interval) == RES_OK); + CHK(eq_eps(interval.range[0], range[0], fabs(range[0]*1.e-6))); + CHK(eq_eps(interval.range[1], range[1], fabs(range[1]*1.e-6))); + CHK(interval.cumulative > cumulative_prev); + CHK(interval.cumulative <= 1.0); - CHK(eq_eps(interval.range[0], ref->range[0], fabs(ref->range[0]*1.e-6))); - CHK(eq_eps(interval.range[1], ref->range[1], fabs(ref->range[1]*1.e-6))); - CHK(eq_eps(interval.cumulative, ref->cumulative, fabs(ref->cumulative*1.e-6))); + cumulative_prev = interval.cumulative; } ssp_ran_sphere_uniform(rng, wo, NULL); diff --git a/src/test_ssf_phase_rdgfa_ref_cumul.h b/src/test_ssf_phase_rdgfa_ref_cumul.h @@ -1,2031 +0,0 @@ -/* Copyright (C) 2016-2018, 2021 |Meso|Star> (contact@meso-star.com) - * - * This program 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. - * - * This program 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 this program. If not, see <http://www.gnu.org/licenses/>. */ - -#ifndef TEST_SSF_RDGFA_REF_CUMULATIVE_H -#define TEST_SSF_RDGFA_REF_CUMULATIVE_H - -#include "ssf.h" - -/* Cumulative computed from another code and used as a refercence to cross - * compare the results. - * Wavelength = 633 nm - * Fractal dimension = 1.75 - * Gyration radius = 385.17247758644652 nm - * #intervals in [0, theta_limit[ = 1000 - * #intervals in [theta_limit, pi[ = 1000 */ -static const struct ssf_phase_rdgfa_interval phase_rdgfa_ref_cumul[] = { - {{0.0000000000000000, 4.2700973896198807E-004}, 5.8336411537831027E-007}, - {{4.2700973896198807E-004, 8.5401947792397613E-004}, 2.3334529264170861E-006}, - {{8.5401947792397613E-004, 1.2810292168859642E-003}, 5.2502558278645965E-006}, - {{1.2810292168859642E-003, 1.7080389558479523E-003}, 9.3337551444237310E-006}, - {{1.7080389558479523E-003, 2.1350486948099401E-003}, 1.4583926130935658E-005}, - {{2.1350486948099401E-003, 2.5620584337719284E-003}, 2.1000736972636944E-005}, - {{2.5620584337719284E-003, 2.9890681727339167E-003}, 2.8584148785490143E-005}, - {{2.9890681727339167E-003, 3.4160779116959045E-003}, 3.7334115616587802E-005}, - {{3.4160779116959045E-003, 3.8430876506578924E-003}, 4.7250584444629956E-005}, - {{3.8430876506578924E-003, 4.2700973896198802E-003}, 5.8333495180475026E-005}, - {{4.2700973896198802E-003, 4.6971071285818690E-003}, 7.0582780667764167E-005}, - {{4.6971071285818690E-003, 5.1241168675438568E-003}, 8.3998366683619047E-005}, - {{5.1241168675438568E-003, 5.5511266065058447E-003}, 9.8580171939412965E-005}, - {{5.5511266065058447E-003, 5.9781363454678334E-003}, 1.1432810808161548E-004}, - {{5.9781363454678334E-003, 6.4051460844298212E-003}, 1.3124207969271036E-004}, - {{6.4051460844298212E-003, 6.8321558233918091E-003}, 1.4932198429218688E-004}, - {{6.8321558233918091E-003, 7.2591655623537969E-003}, 1.6856771233760457E-004}, - {{7.2591655623537969E-003, 7.6861753013157848E-003}, 1.8897914722573115E-004}, - {{7.6861753013157848E-003, 8.1131850402777726E-003}, 2.1055616529375398E-004}, - {{8.1131850402777726E-003, 8.5401947792397605E-003}, 2.3329863582056468E-004}, - {{8.5401947792397605E-003, 8.9672045182017501E-003}, 2.5720642102811705E-004}, - {{8.9672045182017501E-003, 9.3942142571637379E-003}, 2.8227937608285835E-004}, - {{9.3942142571637379E-003, 9.8212239961257258E-003}, 3.0851734909723377E-004}, - {{9.8212239961257258E-003, 1.0248233735087714E-002}, 3.3592018113126398E-004}, - {{1.0248233735087714E-002, 1.0675243474049701E-002}, 3.6448770619419615E-004}, - {{1.0675243474049701E-002, 1.1102253213011689E-002}, 3.9421975124622800E-004}, - {{1.1102253213011689E-002, 1.1529262951973677E-002}, 4.2511613620030495E-004}, - {{1.1529262951973677E-002, 1.1956272690935667E-002}, 4.5717667392399056E-004}, - {{1.1956272690935667E-002, 1.2383282429897655E-002}, 4.9040117024140985E-004}, - {{1.2383282429897655E-002, 1.2810292168859642E-002}, 5.2478942393526570E-004}, - {{1.2810292168859642E-002, 1.3237301907821630E-002}, 5.6034122674892867E-004}, - {{1.3237301907821630E-002, 1.3664311646783618E-002}, 5.9705636338859927E-004}, - {{1.3664311646783618E-002, 1.4091321385745606E-002}, 6.3493461152554361E-004}, - {{1.4091321385745606E-002, 1.4518331124707594E-002}, 6.7397574179840184E-004}, - {{1.4518331124707594E-002, 1.4945340863669582E-002}, 7.1417951781556951E-004}, - {{1.4945340863669582E-002, 1.5372350602631570E-002}, 7.5554569615765154E-004}, - {{1.5372350602631570E-002, 1.5799360341593557E-002}, 7.9807402637998973E-004}, - {{1.5799360341593557E-002, 1.6226370080555545E-002}, 8.4176425101526212E-004}, - {{1.6226370080555545E-002, 1.6653379819517533E-002}, 8.8661610557615601E-004}, - {{1.6653379819517533E-002, 1.7080389558479521E-002}, 9.3262931855811297E-004}, - {{1.7080389558479521E-002, 1.7507399297441512E-002}, 9.7980361144214692E-004}, - {{1.7507399297441512E-002, 1.7934409036403500E-002}, 1.0281386986977349E-003}, - {{1.7934409036403500E-002, 1.8361418775365488E-002}, 1.0776342877857803E-003}, - {{1.8361418775365488E-002, 1.8788428514327476E-002}, 1.1282900791616483E-003}, - {{1.8788428514327476E-002, 1.9215438253289464E-002}, 1.1801057662782744E-003}, - {{1.9215438253289464E-002, 1.9642447992251452E-002}, 1.2330810355893451E-003}, - {{1.9642447992251452E-002, 2.0069457731213439E-002}, 1.2872155665525507E-003}, - {{2.0069457731213439E-002, 2.0496467470175427E-002}, 1.3425090316329115E-003}, - {{2.0496467470175427E-002, 2.0923477209137415E-002}, 1.3989610963061751E-003}, - {{2.0923477209137415E-002, 2.1350486948099403E-002}, 1.4565714190622862E-003}, - {{2.1350486948099403E-002, 2.1777496687061391E-002}, 1.5153396514089297E-003}, - {{2.1777496687061391E-002, 2.2204506426023379E-002}, 1.5752654378751441E-003}, - {{2.2204506426023379E-002, 2.2631516164985366E-002}, 1.6363484160150088E-003}, - {{2.2631516164985366E-002, 2.3058525903947354E-002}, 1.6985882164114023E-003}, - {{2.3058525903947354E-002, 2.3485535642909342E-002}, 1.7619844626798325E-003}, - {{2.3485535642909342E-002, 2.3912545381871333E-002}, 1.8265367714723397E-003}, - {{2.3912545381871333E-002, 2.4339555120833321E-002}, 1.8922447524814708E-003}, - {{2.4339555120833321E-002, 2.4766564859795309E-002}, 1.9591080084443253E-003}, - {{2.4766564859795309E-002, 2.5193574598757297E-002}, 2.0271261351466731E-003}, - {{2.5193574598757297E-002, 2.5620584337719285E-002}, 2.0962987214271445E-003}, - {{2.5620584337719285E-002, 2.6047594076681273E-002}, 2.1666253491814916E-003}, - {{2.6047594076681273E-002, 2.6474603815643261E-002}, 2.2381055933669201E-003}, - {{2.6474603815643261E-002, 2.6901613554605248E-002}, 2.3107390220064943E-003}, - {{2.6901613554605248E-002, 2.7328623293567236E-002}, 2.3845251961936132E-003}, - {{2.7328623293567236E-002, 2.7755633032529224E-002}, 2.4594636700965571E-003}, - {{2.7755633032529224E-002, 2.8182642771491212E-002}, 2.5355539909631061E-003}, - {{2.8182642771491212E-002, 2.8609652510453200E-002}, 2.6127956991252302E-003}, - {{2.8609652510453200E-002, 2.9036662249415188E-002}, 2.6911883280038486E-003}, - {{2.9036662249415188E-002, 2.9463671988377176E-002}, 2.7707314041136642E-003}, - {{2.9463671988377176E-002, 2.9890681727339163E-002}, 2.8514244470680640E-003}, - {{2.9890681727339163E-002, 3.0317691466301151E-002}, 2.9332669695840943E-003}, - {{3.0317691466301151E-002, 3.0744701205263139E-002}, 3.0162584774875057E-003}, - 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{{3.1388780706751653, 3.1415926535897931}, 1.0000000000000007} -}; - -#endif /* TEST_SSF_RDGFA_REF_CUMULATIVE_H */