corefourshell.cpp @ b11e127

ESS_GUIESS_GUI_DocsESS_GUI_batch_fittingESS_GUI_bumps_abstractionESS_GUI_iss1116ESS_GUI_iss879ESS_GUI_iss959ESS_GUI_openclESS_GUI_orderingESS_GUI_sync_sascalccostrafo411magnetic_scattrelease-4.1.1release-4.1.2release-4.2.2release_4.0.1ticket-1009ticket-1094-headlessticket-1242-2d-resolutionticket-1243ticket-1249ticket885unittest-saveload

Last change on this file since b11e127 was 318b5bbb, checked in by Jae Cho <jhjcho@…>, 12 years ago
Added polarization and magnetic stuffs
Property mode set to `100644`
File size: 17.2 KB

Rev	Line
[c724ccd]	1	/**
	2	This software was developed by the University of Tennessee as part of the
	3	Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
	4	project funded by the US National Science Foundation.
	5
	6	If you use DANSE applications to do scientific research that leads to
	7	publication, we ask that you acknowledge the use of the software with the
	8	following sentence:
	9
	10	"This work benefited from DANSE software developed under NSF award DMR-0520547."
	11
	12	copyright 2008, University of Tennessee
	13	*/
	14
	15	/**
	16	* Scattering model classes
	17	* The classes use the IGOR library found in
	18	* sansmodels/src/libigor
	19	*
	20	*/
	21
	22	#include <math.h>
	23	#include "parameters.hh"
	24	#include <stdio.h>
	25	using namespace std;
[011e0e4]	26	#include "corefourshell.h"
[c724ccd]	27
	28	extern "C" {
	29	#include "libSphere.h"
[318b5bbb]	30	#include "libmultifunc/libfunc.h"
[c724ccd]	31	}
	32
[011e0e4]	33	typedef struct {
	34	double scale;
	35	double rad_core0;
	36	double sld_core0;
	37	double thick_shell1;
	38	double sld_shell1;
	39	double thick_shell2;
	40	double sld_shell2;
	41	double thick_shell3;
	42	double sld_shell3;
	43	double thick_shell4;
	44	double sld_shell4;
	45	double sld_solv;
	46	double background;
[318b5bbb]	47	double M0_sld_shell1;
	48	double M_theta_shell1;
	49	double M_phi_shell1;
	50	double M0_sld_shell2;
	51	double M_theta_shell2;
	52	double M_phi_shell2;
	53	double M0_sld_shell3;
	54	double M_theta_shell3;
	55	double M_phi_shell3;
	56	double M0_sld_shell4;
	57	double M_theta_shell4;
	58	double M_phi_shell4;
	59	double M0_sld_core0;
	60	double M_theta_core0;
	61	double M_phi_core0;
	62	double M0_sld_solv;
	63	double M_theta_solv;
	64	double M_phi_solv;
	65	double Up_frac_i;
	66	double Up_frac_f;
	67	double Up_theta;
[011e0e4]	68	} CoreFourShellParameters;
	69
[c724ccd]	70	CoreFourShellModel :: CoreFourShellModel() {
	71	scale = Parameter(1.0);
[339ce67]	72	rad_core0 = Parameter(60.0, true);
	73	rad_core0.set_min(0.0);
	74	sld_core0 = Parameter(6.4e-6);
[c724ccd]	75	thick_shell1 = Parameter(10.0, true);
	76	thick_shell1.set_min(0.0);
	77	sld_shell1 = Parameter(1.0e-6);
	78	thick_shell2 = Parameter(10.0, true);
	79	thick_shell2.set_min(0.0);
	80	sld_shell2 = Parameter(2.0e-6);
	81	thick_shell3 = Parameter(10.0, true);
	82	thick_shell3.set_min(0.0);
	83	sld_shell3 = Parameter(3.0e-6);
	84	thick_shell4 = Parameter(10.0, true);
	85	thick_shell4.set_min(0.0);
	86	sld_shell4 = Parameter(4.0e-6);
	87	sld_solv = Parameter(6.4e-6);
	88	background = Parameter(0.001);
[318b5bbb]	89	M0_sld_shell1 = Parameter(0.0e-6);
	90	M_theta_shell1 = Parameter(0.0);
	91	M_phi_shell1 = Parameter(0.0);
	92	M0_sld_shell2 = Parameter(0.0e-6);
	93	M_theta_shell2 = Parameter(0.0);
	94	M_phi_shell2 = Parameter(0.0);
	95	M0_sld_shell3 = Parameter(0.0e-6);
	96	M_theta_shell3 = Parameter(0.0);
	97	M_phi_shell3 = Parameter(0.0);
	98	M0_sld_shell4 = Parameter(0.0e-6);
	99	M_theta_shell4 = Parameter(0.0);
	100	M_phi_shell4 = Parameter(0.0);
	101	M0_sld_core0 = Parameter(0.0e-6);
	102	M_theta_core0 = Parameter(0.0);
	103	M_phi_core0 = Parameter(0.0);
	104	M0_sld_solv = Parameter(0.0e-6);
	105	M_theta_solv = Parameter(0.0);
	106	M_phi_solv = Parameter(0.0);
	107	Up_frac_i = Parameter(0.5);
	108	Up_frac_f = Parameter(0.5);
	109	Up_theta = Parameter(0.0);
	110
[c724ccd]	111	}
	112
	113	/**
	114	* Function to evaluate 1D scattering function
	115	* The NIST IGOR library is used for the actual calculation.
	116	* @param q: q-value
	117	* @return: function value
	118	*/
	119	double CoreFourShellModel :: operator()(double q) {
	120	double dp[13];
	121
	122	// Fill parameter array for IGOR library
	123	// Add the background after averaging
[318b5bbb]	124
[c724ccd]	125	dp[0] = scale();
[339ce67]	126	dp[1] = rad_core0();
	127	dp[2] = sld_core0();
[c724ccd]	128	dp[3] = thick_shell1();
	129	dp[4] = sld_shell1();
	130	dp[5] = thick_shell2();
	131	dp[6] = sld_shell2();
	132	dp[7] = thick_shell3();
	133	dp[8] = sld_shell3();
	134	dp[9] = thick_shell4();
	135	dp[10] = sld_shell4();
	136	dp[11] = sld_solv();
	137	dp[12] = 0.0;
	138
	139	// Get the dispersion points for the radius
	140	vector<WeightPoint> weights_rad;
[339ce67]	141	rad_core0.get_weights(weights_rad);
[c724ccd]	142
	143	// Get the dispersion points for the thick 1
	144	vector<WeightPoint> weights_s1;
	145	thick_shell1.get_weights(weights_s1);
	146
	147	// Get the dispersion points for the thick 2
	148	vector<WeightPoint> weights_s2;
	149	thick_shell2.get_weights(weights_s2);
	150
	151	// Get the dispersion points for the thick 3
	152	vector<WeightPoint> weights_s3;
	153	thick_shell3.get_weights(weights_s3);
	154
	155	// Get the dispersion points for the thick 4
	156	vector<WeightPoint> weights_s4;
	157	thick_shell4.get_weights(weights_s4);
	158
	159	// Perform the computation, with all weight points
	160	double sum = 0.0;
	161	double norm = 0.0;
	162	double vol = 0.0;
	163
	164	// Loop over radius weight points
[34c2649]	165	for(size_t i=0; i<weights_rad.size(); i++) {
[c724ccd]	166	dp[1] = weights_rad[i].value;
	167	// Loop over radius weight points
[34c2649]	168	for(size_t j=0; j<weights_s1.size(); j++) {
[c724ccd]	169	dp[3] = weights_s1[j].value;
	170	// Loop over radius weight points
[34c2649]	171	for(size_t k=0; k<weights_s2.size(); k++) {
[c724ccd]	172	dp[5] = weights_s2[k].value;
	173	// Loop over radius weight points
[34c2649]	174	for(size_t l=0; l<weights_s3.size(); l++) {
[c724ccd]	175	dp[7] = weights_s3[l].value;
	176	// Loop over radius weight points
[34c2649]	177	for(size_t m=0; m<weights_s4.size(); m++) {
[c724ccd]	178	dp[9] = weights_s4[m].value;
	179	//Un-normalize FourShell by volume
	180	sum += weights_rad[i].weightweights_s1[j].weightweights_s2[k].weightweights_s3[l].weightweights_s4[m].weight
	181	* FourShell(dp, q) * pow((weights_rad[i].value+weights_s1[j].value+weights_s2[k].value+weights_s3[l].value+weights_s4[m].value),3);
	182	//Find average volume
	183	vol += weights_rad[i].weightweights_s1[j].weightweights_s2[k].weightweights_s3[l].weightweights_s4[m].weight
	184	* pow((weights_rad[i].value+weights_s1[j].value+weights_s2[k].value+weights_s3[l].value+weights_s4[m].value),3);
	185
	186	norm += weights_rad[i].weightweights_s1[j].weightweights_s2[k].weightweights_s3[l].weightweights_s4[m].weight;
	187	}
	188	}
	189	}
	190	}
	191	}
	192
	193	if (vol != 0.0 && norm != 0.0) {
	194	//Re-normalize by avg volume
	195	sum = sum/(vol/norm);}
	196	return sum/norm + background();
	197	}
	198
	199	/**
	200	* Function to evaluate 2D scattering function
	201	* @param q_x: value of Q along x
	202	* @param q_y: value of Q along y
	203	* @return: function value
	204	*/
[318b5bbb]	205
	206	static double corefourshell_analytical_2D_scaled(CoreFourShellParameters *pars, double q, double q_x, double q_y) {
	207	double dp[13];
	208
	209	// Fill parameter array for IGOR library
	210	// Add the background after averaging
	211
	212	dp[0] = pars->scale;
	213	dp[1] = pars->rad_core0;
	214	dp[2] = 0.0; //sld_core0;
	215	dp[3] = pars->thick_shell1;
	216	dp[4] = 0.0; //sld_shell1;
	217	dp[5] = pars->thick_shell2;
	218	dp[6] = 0.0; //sld_shell2;
	219	dp[7] = pars->thick_shell3;
	220	dp[8] = 0.0; //sld_shell3;
	221	dp[9] = pars->thick_shell4;
	222	dp[10] = 0.0; //sld_shell4;
	223	dp[11] = 0.0; //sld_solv;
	224	dp[12] = 0.0;
	225
	226	double sld_core0 = pars->sld_core0;
	227	double sld_shell1 = pars->sld_shell1;
	228	double sld_shell2 = pars->sld_shell2;
	229	double sld_shell3 = pars->sld_shell3;
	230	double sld_shell4 = pars->sld_shell4;
	231	double sld_solv = pars->sld_solv;
	232	double answer = 0.0;
	233	double m_max0 = pars->M0_sld_core0;
	234	double m_max_shell1 = pars->M0_sld_shell1;
	235	double m_max_shell2 = pars->M0_sld_shell2;
	236	double m_max_shell3 = pars->M0_sld_shell3;
	237	double m_max_shell4 = pars->M0_sld_shell4;
	238	double m_max_solv = pars->M0_sld_solv;
	239
	240	if (m_max0 < 1.0e-32 && m_max_solv < 1.0e-32 && m_max_shell1 < 1.0e-32 && m_max_shell2 <
	241	1.0e-32 && m_max_shell3 < 1.0e-32 && m_max_shell4 < 1.0e-32){
	242	dp[2] = sld_core0;
	243	dp[4] = sld_shell1;
	244	dp[6] = sld_shell2;
	245	dp[8] = sld_shell3;
	246	dp[10] = sld_shell4;
	247	dp[11] = sld_solv;
	248	answer = FourShell(dp, q);
	249	}
	250	else{
	251	double qx = q_x;
	252	double qy = q_y;
	253	double s_theta = pars->Up_theta;
	254	double m_phi0 = pars->M_phi_core0;
	255	double m_theta0 = pars->M_theta_core0;
	256	double m_phi_shell1 = pars->M_phi_shell1;
	257	double m_theta_shell1 = pars->M_theta_shell1;
	258	double m_phi_shell2 = pars->M_phi_shell2;
	259	double m_theta_shell2 = pars->M_theta_shell2;
	260	double m_phi_shell3 = pars->M_phi_shell3;
	261	double m_theta_shell3 = pars->M_theta_shell3;
	262	double m_phi_shell4 = pars->M_phi_shell4;
	263	double m_theta_shell4 = pars->M_theta_shell4;
	264	double m_phi_solv = pars->M_phi_solv;
	265	double m_theta_solv = pars->M_theta_solv;
	266	double in_spin = pars->Up_frac_i;
	267	double out_spin = pars->Up_frac_f;
	268	polar_sld p_sld_core0;
	269	polar_sld p_sld_shell1;
	270	polar_sld p_sld_shell2;
	271	polar_sld p_sld_shell3;
	272	polar_sld p_sld_shell4;
	273	polar_sld p_sld_solv;
	274	//Find (b+m) slds
	275	p_sld_core0 = cal_msld(1, qx, qy, sld_core0, m_max0, m_theta0, m_phi0,
	276	in_spin, out_spin, s_theta);
	277	p_sld_shell1 = cal_msld(1, qx, qy, sld_shell1, m_max_shell1, m_theta_shell1, m_phi_shell1,
	278	in_spin, out_spin, s_theta);
	279	p_sld_shell2 = cal_msld(1, qx, qy, sld_shell2, m_max_shell2, m_theta_shell2, m_phi_shell2,
	280	in_spin, out_spin, s_theta);
	281	p_sld_shell3 = cal_msld(1, qx, qy, sld_shell3, m_max_shell3, m_theta_shell3, m_phi_shell3,
	282	in_spin, out_spin, s_theta);
	283	p_sld_shell4 = cal_msld(1, qx, qy, sld_shell4, m_max_shell4, m_theta_shell4, m_phi_shell4,
	284	in_spin, out_spin, s_theta);
	285	p_sld_solv = cal_msld(1, qx, qy, sld_solv, m_max_solv, m_theta_solv, m_phi_solv,
	286	in_spin, out_spin, s_theta);
	287	//up_up
	288	if (in_spin > 0.0 && out_spin > 0.0){
	289	dp[2] = p_sld_core0.uu;
	290	dp[4] = p_sld_shell1.uu;
	291	dp[6] = p_sld_shell2.uu;
	292	dp[8] = p_sld_shell3.uu;
	293	dp[10] = p_sld_shell4.uu;
	294	dp[11] = p_sld_solv.uu;
	295	answer += FourShell(dp, q);
	296	}
	297	//down_down
	298	if (in_spin < 1.0 && out_spin < 1.0){
	299	dp[2] = p_sld_core0.dd;
	300	dp[4] = p_sld_shell1.dd;
	301	dp[6] = p_sld_shell2.dd;
	302	dp[8] = p_sld_shell3.dd;
	303	dp[10] = p_sld_shell4.dd;
	304	dp[11] = p_sld_solv.dd;
	305	answer += FourShell(dp, q);
	306	}
	307	//up_down
	308	if (in_spin > 0.0 && out_spin < 1.0){
	309	dp[2] = p_sld_core0.re_ud;
	310	dp[4] = p_sld_shell1.re_ud;
	311	dp[6] = p_sld_shell2.re_ud;
	312	dp[8] = p_sld_shell3.re_ud;
	313	dp[10] = p_sld_shell4.re_ud;
	314	dp[11] = p_sld_solv.re_ud;
	315	answer += FourShell(dp, q);
	316	dp[2] = p_sld_core0.im_ud;
	317	dp[4] = p_sld_shell1.im_ud;
	318	dp[6] = p_sld_shell2.im_ud;
	319	dp[8] = p_sld_shell3.im_ud;
	320	dp[10] = p_sld_shell4.im_ud;
	321	dp[11] = p_sld_solv.im_ud;
	322	answer += FourShell(dp, q);
	323	}
	324	//down_up
	325	if (in_spin < 1.0 && out_spin > 0.0){
	326	dp[2] = p_sld_core0.re_du;
	327	dp[4] = p_sld_shell1.re_du;
	328	dp[6] = p_sld_shell2.re_du;
	329	dp[8] = p_sld_shell3.re_du;
	330	dp[10] = p_sld_shell4.re_du;
	331	dp[11] = p_sld_solv.re_du;
	332	answer += FourShell(dp, q);
	333	dp[2] = p_sld_core0.im_du;
	334	dp[4] = p_sld_shell1.im_du;
	335	dp[6] = p_sld_shell2.im_du;
	336	dp[8] = p_sld_shell3.im_du;
	337	dp[10] = p_sld_shell4.im_du;
	338	dp[11] = p_sld_solv.im_du;
	339	answer += FourShell(dp, q);
	340	}
	341	}
	342	// Already normalized
	343	// add in the background
	344	answer += pars->background;
	345	return answer;
	346	}
	347
	348	/**
	349	* Function to evaluate 2D scattering function
	350	* @param pars: parameters
	351	* @param q: q-value
	352	* @return: function value
	353	*/
	354	static double corefourshell_analytical_2DXY(CoreFourShellParameters *pars, double qx, double qy) {
	355	double q;
	356	q = sqrt(qxqx+qyqy);
	357	return corefourshell_analytical_2D_scaled(pars, q, qx/q, qy/q);
	358	}
	359
	360
[c724ccd]	361	double CoreFourShellModel :: operator()(double qx, double qy) {
[318b5bbb]	362	CoreFourShellParameters dp;
	363	dp.scale = scale();
	364	dp.rad_core0 = rad_core0();
	365	dp.sld_core0 = sld_core0();
	366	dp.thick_shell1 = thick_shell1();
	367	dp.sld_shell1 = sld_shell1();
	368	dp.thick_shell2 = thick_shell2();
	369	dp.sld_shell2 = sld_shell2();
	370	dp.thick_shell3 = thick_shell3();
	371	dp.sld_shell3 = sld_shell3();
	372	dp.thick_shell4 = thick_shell4();
	373	dp.sld_shell4 = sld_shell4();
	374	dp.sld_solv = sld_solv();
	375	dp.background = 0.0;
	376	dp.M0_sld_shell1 = M0_sld_shell1();
	377	dp.M_theta_shell1 = M_theta_shell1();
	378	dp.M_phi_shell1 = M_phi_shell1();
	379	dp.M0_sld_shell2 = M0_sld_shell2();
	380	dp.M_theta_shell2 = M_theta_shell2();
	381	dp.M_phi_shell2 = M_phi_shell2();
	382	dp.M0_sld_shell3 = M0_sld_shell3();
	383	dp.M_theta_shell3 = M_theta_shell3();
	384	dp.M_phi_shell3 = M_phi_shell3();
	385	dp.M0_sld_shell4 = M0_sld_shell4();
	386	dp.M_theta_shell4 = M_theta_shell4();
	387	dp.M_phi_shell4 = M_phi_shell4();
	388	dp.M0_sld_core0 = M0_sld_core0();
	389	dp.M_theta_core0 = M_theta_core0();
	390	dp.M_phi_core0 = M_phi_core0();
	391	dp.M0_sld_solv = M0_sld_solv();
	392	dp.M_theta_solv = M_theta_solv();
	393	dp.M_phi_solv = M_phi_solv();
	394	dp.Up_frac_i = Up_frac_i();
	395	dp.Up_frac_f = Up_frac_f();
	396	dp.Up_theta = Up_theta();
	397
	398	// Get the dispersion points for the radius
	399	vector<WeightPoint> weights_rad;
	400	rad_core0.get_weights(weights_rad);
	401
	402	// Get the dispersion points for the thick 1
	403	vector<WeightPoint> weights_s1;
	404	thick_shell1.get_weights(weights_s1);
	405
	406	// Get the dispersion points for the thick 2
	407	vector<WeightPoint> weights_s2;
	408	thick_shell2.get_weights(weights_s2);
	409
	410	// Get the dispersion points for the thick 3
	411	vector<WeightPoint> weights_s3;
	412	thick_shell3.get_weights(weights_s3);
	413
	414	// Get the dispersion points for the thick 4
	415	vector<WeightPoint> weights_s4;
	416	thick_shell4.get_weights(weights_s4);
	417
	418	// Perform the computation, with all weight points
	419	double sum = 0.0;
	420	double norm = 0.0;
	421	double vol = 0.0;
	422
	423	// Loop over radius weight points
	424	for(size_t i=0; i<weights_rad.size(); i++) {
	425	dp.rad_core0 = weights_rad[i].value;
	426	// Loop over radius weight points
	427	for(size_t j=0; j<weights_s1.size(); j++) {
	428	dp.thick_shell1 = weights_s1[j].value;
	429	// Loop over radius weight points
	430	for(size_t k=0; k<weights_s2.size(); k++) {
	431	dp.thick_shell2 = weights_s2[k].value;
	432	// Loop over radius weight points
	433	for(size_t l=0; l<weights_s3.size(); l++) {
	434	dp.thick_shell3 = weights_s3[l].value;
	435	// Loop over radius weight points
	436	for(size_t m=0; m<weights_s4.size(); m++) {
	437	dp.thick_shell4 = weights_s4[m].value;
	438	//Un-normalize FourShell by volume
	439	sum += weights_rad[i].weightweights_s1[j].weightweights_s2[k].weightweights_s3[l].weightweights_s4[m].weight
	440	* corefourshell_analytical_2DXY(&dp, qx, qy) * pow((weights_rad[i].value+weights_s1[j].value+weights_s2[k].value+weights_s3[l].value+weights_s4[m].value),3);
	441	//Find average volume
	442	vol += weights_rad[i].weightweights_s1[j].weightweights_s2[k].weightweights_s3[l].weightweights_s4[m].weight
	443	* pow((weights_rad[i].value+weights_s1[j].value+weights_s2[k].value+weights_s3[l].value+weights_s4[m].value),3);
	444
	445	norm += weights_rad[i].weightweights_s1[j].weightweights_s2[k].weightweights_s3[l].weightweights_s4[m].weight;
	446	}
	447	}
	448	}
	449	}
	450	}
	451
	452	if (vol != 0.0 && norm != 0.0) {
	453	//Re-normalize by avg volume
	454	sum = sum/(vol/norm);}
	455	return sum/norm + background();
[c724ccd]	456	}
	457
	458	/**
	459	* Function to evaluate 2D scattering function
	460	* @param pars: parameters of the sphere
	461	* @param q: q-value
	462	* @param phi: angle phi
	463	* @return: function value
	464	*/
	465	double CoreFourShellModel :: evaluate_rphi(double q, double phi) {
[318b5bbb]	466	double qx = q*cos(phi);
	467	double qy = q*sin(phi);
	468	return (*this).operator()(qx, qy);
[c724ccd]	469	}
	470
	471	/**
	472	* Function to calculate effective radius
	473	* @return: effective radius value
	474	*/
	475	double CoreFourShellModel :: calculate_ER() {
	476	CoreFourShellParameters dp;
	477
	478	dp.scale = scale();
[339ce67]	479	dp.rad_core0 = rad_core0();
	480	dp.sld_core0 = sld_core0();
[c724ccd]	481	dp.thick_shell1 = thick_shell1();
	482	dp.sld_shell1 = sld_shell1();
	483	dp.thick_shell2 = thick_shell2();
	484	dp.sld_shell2 = sld_shell2();
	485	dp.thick_shell3 = thick_shell3();
	486	dp.sld_shell3 = sld_shell3();
	487	dp.thick_shell4 = thick_shell4();
	488	dp.sld_shell4 = sld_shell4();
	489	dp.sld_solv = sld_solv();
	490	dp.background = 0.0;
	491
	492	// Get the dispersion points for the radius
	493	vector<WeightPoint> weights_rad;
[339ce67]	494	rad_core0.get_weights(weights_rad);
[c724ccd]	495
	496	// Get the dispersion points for the thick 1
	497	vector<WeightPoint> weights_s1;
	498	thick_shell1.get_weights(weights_s1);
	499
	500	// Get the dispersion points for the thick 2
	501	vector<WeightPoint> weights_s2;
	502	thick_shell2.get_weights(weights_s2);
	503
	504	// Get the dispersion points for the thick 3
	505	vector<WeightPoint> weights_s3;
	506	thick_shell3.get_weights(weights_s3);
	507
	508	// Get the dispersion points for the thick 4
	509	vector<WeightPoint> weights_s4;
	510	thick_shell4.get_weights(weights_s4);
	511
	512	double rad_out = 0.0;
	513	// Perform the computation, with all weight points
	514	double sum = 0.0;
	515	double norm = 0.0;
	516
	517	// Loop over radius weight points
[34c2649]	518	for(size_t i=0; i<weights_rad.size(); i++) {
[339ce67]	519	dp.rad_core0 = weights_rad[i].value;
[c724ccd]	520	// Loop over radius weight points
[34c2649]	521	for(size_t j=0; j<weights_s1.size(); j++) {
[c724ccd]	522	dp.thick_shell1 = weights_s1[j].value;
	523	// Loop over radius weight points
[34c2649]	524	for(size_t k=0; k<weights_s2.size(); k++) {
[c724ccd]	525	dp.thick_shell2 = weights_s2[k].value;
	526	// Loop over radius weight points
[34c2649]	527	for(size_t l=0; l<weights_s3.size(); l++) {
[c724ccd]	528	dp.thick_shell3 = weights_s3[l].value;
	529	// Loop over radius weight points
[34c2649]	530	for(size_t m=0; m<weights_s4.size(); m++) {
[c724ccd]	531	dp.thick_shell4 = weights_s4[m].value;
	532	//Un-normalize FourShell by volume
	533	sum += weights_rad[i].weightweights_s1[j].weightweights_s2[k].weightweights_s3[l].weightweights_s4[m].weight
[339ce67]	534	* (dp.rad_core0+dp.thick_shell1+dp.thick_shell2+dp.thick_shell3+dp.thick_shell4);
[c724ccd]	535	norm += weights_rad[i].weightweights_s1[j].weightweights_s2[k].weightweights_s3[l].weightweights_s4[m].weight;
	536	}
	537	}
	538	}
	539	}
	540	}
	541	if (norm != 0){
	542	//return the averaged value
	543	rad_out = sum/norm;}
	544	else{
	545	//return normal value
[339ce67]	546	rad_out = dp.rad_core0+dp.thick_shell1+dp.thick_shell2+dp.thick_shell3+dp.thick_shell4;}
[c724ccd]	547
	548	return rad_out;
	549	}
[e08bd5b]	550	double CoreFourShellModel :: calculate_VR() {
	551	return 1.0;
	552	}

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source: sasview/sansmodels/src/c_models/corefourshell.cpp @ b11e127

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