source: sasmodels/sasmodels/models/hollow_rectangular_prism.c @ d86f0fc

core_shell_microgelsmagnetic_modelticket-1257-vesicle-productticket_1156ticket_1265_superballticket_822_more_unit_tests
Last change on this file since d86f0fc was d86f0fc, checked in by Paul Kienzle <pkienzle@…>, 5 years ago

lint reduction

  • Property mode set to 100644
File size: 4.3 KB
RevLine 
[d86f0fc]1static double
2form_volume(double length_a, double b2a_ratio, double c2a_ratio, double thickness)
[deb7ee0]3{
[ab2aea8]4    double length_b = length_a * b2a_ratio;
5    double length_c = length_a * c2a_ratio;
[a807206]6    double a_core = length_a - 2.0*thickness;
[ab2aea8]7    double b_core = length_b - 2.0*thickness;
8    double c_core = length_c - 2.0*thickness;
[deb7ee0]9    double vol_core = a_core * b_core * c_core;
[ab2aea8]10    double vol_total = length_a * length_b * length_c;
[deb7ee0]11    double vol_shell = vol_total - vol_core;
12    return vol_shell;
13}
14
[d86f0fc]15static double
16Iq(double q,
[deb7ee0]17    double sld,
18    double solvent_sld,
[a807206]19    double length_a,
[deb7ee0]20    double b2a_ratio,
21    double c2a_ratio,
22    double thickness)
23{
[6f676fb]24    const double length_b = length_a * b2a_ratio;
25    const double length_c = length_a * c2a_ratio;
26    const double a_half = 0.5 * length_a;
27    const double b_half = 0.5 * length_b;
28    const double c_half = 0.5 * length_c;
29    const double vol_total = length_a * length_b * length_c;
30    const double vol_core = 8.0 * (a_half-thickness) * (b_half-thickness) * (c_half-thickness);
[deb7ee0]31
[ab2aea8]32    //Integration limits to use in Gaussian quadrature
[6f676fb]33    const double v1a = 0.0;
34    const double v1b = M_PI_2;  //theta integration limits
35    const double v2a = 0.0;
36    const double v2b = M_PI_2;  //phi integration limits
[8de1477]37
[ab2aea8]38    double outer_sum = 0.0;
[74768cb]39    for(int i=0; i<GAUSS_N; i++) {
[deb7ee0]40
[74768cb]41        const double theta = 0.5 * ( GAUSS_Z[i]*(v1b-v1a) + v1a + v1b );
[6f676fb]42        double sin_theta, cos_theta;
43        SINCOS(theta, sin_theta, cos_theta);
[deb7ee0]44
[1e7b0db0]45        const double termC1 = sas_sinx_x(q * c_half * cos(theta));
46        const double termC2 = sas_sinx_x(q * (c_half-thickness)*cos(theta));
[deb7ee0]47
[ab2aea8]48        double inner_sum = 0.0;
[74768cb]49        for(int j=0; j<GAUSS_N; j++) {
[deb7ee0]50
[74768cb]51            const double phi = 0.5 * ( GAUSS_Z[j]*(v2b-v2a) + v2a + v2b );
[6f676fb]52            double sin_phi, cos_phi;
53            SINCOS(phi, sin_phi, cos_phi);
[deb7ee0]54
55            // Amplitude AP from eqn. (13), rewritten to avoid round-off effects when arg=0
56
[1e7b0db0]57            const double termA1 = sas_sinx_x(q * a_half * sin_theta * sin_phi);
58            const double termA2 = sas_sinx_x(q * (a_half-thickness) * sin_theta * sin_phi);
[deb7ee0]59
[1e7b0db0]60            const double termB1 = sas_sinx_x(q * b_half * sin_theta * cos_phi);
61            const double termB2 = sas_sinx_x(q * (b_half-thickness) * sin_theta * cos_phi);
[deb7ee0]62
[6f676fb]63            const double AP1 = vol_total * termA1 * termB1 * termC1;
64            const double AP2 = vol_core * termA2 * termB2 * termC2;
[deb7ee0]65
[74768cb]66            inner_sum += GAUSS_W[j] * square(AP1-AP2);
[ab2aea8]67        }
[6f676fb]68        inner_sum *= 0.5 * (v2b-v2a);
[deb7ee0]69
[74768cb]70        outer_sum += GAUSS_W[i] * inner_sum * sin(theta);
[deb7ee0]71    }
[6f676fb]72    outer_sum *= 0.5*(v1b-v1a);
[deb7ee0]73
74    // Normalize as in Eqn. (15) without the volume factor (as cancels with (V*DelRho)^2 normalization)
75    // The factor 2 is due to the different theta integration limit (pi/2 instead of pi)
[6f676fb]76    const double form = outer_sum/M_PI_2;
[deb7ee0]77
78    // Multiply by contrast^2. Factor corresponding to volume^2 cancels with previous normalization.
[6f676fb]79    const double delrho = sld - solvent_sld;
[deb7ee0]80
81    // Convert from [1e-12 A-1] to [cm-1]
[6f676fb]82    return 1.0e-4 * delrho * delrho * form;
[deb7ee0]83}
[8de1477]84
[d86f0fc]85static double
86Iqabc(double qa, double qb, double qc,
[8de1477]87    double sld,
88    double solvent_sld,
89    double length_a,
90    double b2a_ratio,
91    double c2a_ratio,
92    double thickness)
93{
94    const double length_b = length_a * b2a_ratio;
95    const double length_c = length_a * c2a_ratio;
96    const double a_half = 0.5 * length_a;
97    const double b_half = 0.5 * length_b;
98    const double c_half = 0.5 * length_c;
99    const double vol_total = length_a * length_b * length_c;
100    const double vol_core = 8.0 * (a_half-thickness) * (b_half-thickness) * (c_half-thickness);
101
102    // Amplitude AP from eqn. (13)
103
104    const double termA1 = sas_sinx_x(qa * a_half);
105    const double termA2 = sas_sinx_x(qa * (a_half-thickness));
106
107    const double termB1 = sas_sinx_x(qb * b_half);
108    const double termB2 = sas_sinx_x(qb * (b_half-thickness));
109
110    const double termC1 = sas_sinx_x(qc * c_half);
111    const double termC2 = sas_sinx_x(qc * (c_half-thickness));
112
113    const double AP1 = vol_total * termA1 * termB1 * termC1;
114    const double AP2 = vol_core * termA2 * termB2 * termC2;
115
116    // Multiply by contrast^2. Factor corresponding to volume^2 cancels with previous normalization.
117    const double delrho = sld - solvent_sld;
118
119    // Convert from [1e-12 A-1] to [cm-1]
120    return 1.0e-4 * square(delrho * (AP1-AP2));
121}
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