Changeset 3b9a526 in sasmodels


Ignore:
Timestamp:
Jan 18, 2017 12:58:22 PM (8 years ago)
Author:
richardh
Branches:
master, core_shell_microgels, costrafo411, magnetic_model, ticket-1257-vesicle-product, ticket_1156, ticket_1265_superball, ticket_822_more_unit_tests
Children:
6431056
Parents:
8afefae (diff), daeef4c (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.
Message:

Merge branch 'master' of ​https://github.com/sasview/sasmodels

Location:
sasmodels
Files:
63 edited
2 moved

Legend:

Unmodified
Added
Removed

  • sasmodels/generate.py

    r7fcdc9f r1e7b0db0  
    139139    square(x) = x*x 
    140140    cube(x) = x*x*x 
    141     sinc(x) = sin(x)/x, with sin(0)/0 -> 1 
     141    sas_sinx_x(x) = sin(x)/x, with sin(0)/0 -> 1 
    142142    all double precision constants must include the decimal point 
    143143    all double declarations may be converted to half, float, or long double 

  • sasmodels/kernel_header.c

    rb7e8b94 rdaeef4c  
    146146inline double square(double x) { return x*x; } 
    147147inline double cube(double x) { return x*x*x; } 
    148 inline double sinc(double x) { return x==0 ? 1.0 : sin(x)/x; } 
     148inline double sas_sinx_x(double x) { return x==0 ? 1.0 : sin(x)/x; } 
    149149 
    150150#if 1 

  • sasmodels/kernel_template.c

    r0d6e865 r1e7b0db0  
    133133inline double square(double x) { return x*x; } 
    134134inline double cube(double x) { return x*x*x; } 
    135 inline double sinc(double x) { return x==0 ? 1.0 : sin(x)/x; } 
     135inline double sas_sinx_x(double x) { return x==0 ? 1.0 : sin(x)/x; } 
    136136 
    137137 

  • sasmodels/models/barbell.c

    r3a48772 r592343f  
    3333        const double t = Gauss76Z[i]*zm + zb; 
    3434        const double radical = 1.0 - t*t; 
    35         const double bj = sas_J1c(qrst*sqrt(radical)); 
     35        const double bj = sas_2J1x_x(qrst*sqrt(radical)); 
    3636        const double Fq = cos(m*t + b) * radical * bj; 
    3737        total += Gauss76Wt[i] * Fq; 
    … …  
    4949{ 
    5050    const double bell_fq = _bell_kernel(q, h, radius_bell, half_length, sin_alpha, cos_alpha); 
    51     const double bj = sas_J1c(q*radius*sin_alpha); 
    52     const double si = sinc(q*half_length*cos_alpha); 
     51    const double bj = sas_2J1x_x(q*radius*sin_alpha); 
     52    const double si = sas_sinx_x(q*half_length*cos_alpha); 
    5353    const double cyl_fq = 2.0*M_PI*radius*radius*half_length*bj*si; 
    5454    const double Aq = bell_fq + cyl_fq; 

  • sasmodels/models/bcc_paracrystal.py

    rb0c4271 r925ad6e  
    128128# pylint: enable=bad-whitespace, line-too-long 
    129129 
    130 source = ["lib/sph_j1c.c", "lib/gauss150.c", "lib/sphere_form.c", "bcc_paracrystal.c"] 
     130source = ["lib/sas_3j1x_x.c", "lib/gauss150.c", "lib/sphere_form.c", "bcc_paracrystal.c"] 
    131131 
    132132# parameters for demo 

  • sasmodels/models/binary_hard_sphere.c

    r4f79d94 r925ad6e  
    5858    qr2 = r2*q; 
    5959 
    60     sc1 = sph_j1c(qr1); 
    61     sc2 = sph_j1c(qr2); 
     60    sc1 = sas_3j1x_x(qr1); 
     61    sc2 = sas_3j1x_x(qr2); 
    6262    b1 = r1*r1*r1*(rho1-rhos)*M_4PI_3*sc1; 
    6363    b2 = r2*r2*r2*(rho2-rhos)*M_4PI_3*sc2; 

  • sasmodels/models/binary_hard_sphere.py

    rb0c4271 r925ad6e  
    108108             ] 
    109109 
    110 source = ["lib/sph_j1c.c", "binary_hard_sphere.c"] 
     110source = ["lib/sas_3j1x_x.c", "binary_hard_sphere.c"] 
    111111 
    112112# parameters for demo and documentation 

  • sasmodels/models/capped_cylinder.c

    r3a48772 r592343f  
    3939        const double t = Gauss76Z[i]*zm + zb; 
    4040        const double radical = 1.0 - t*t; 
    41         const double bj = sas_J1c(qrst*sqrt(radical)); 
     41        const double bj = sas_2J1x_x(qrst*sqrt(radical)); 
    4242        const double Fq = cos(m*t + b) * radical * bj; 
    4343        total += Gauss76Wt[i] * Fq; 
    … …  
    5454{ 
    5555    const double cap_Fq = _cap_kernel(q, h, radius_cap, half_length, sin_alpha, cos_alpha); 
    56     const double bj = sas_J1c(q*radius*sin_alpha); 
    57     const double si = sinc(q*half_length*cos_alpha); 
     56    const double bj = sas_2J1x_x(q*radius*sin_alpha); 
     57    const double si = sas_sinx_x(q*half_length*cos_alpha); 
    5858    const double cyl_Fq = 2.0*M_PI*radius*radius*half_length*bj*si; 
    5959    const double Aq = cap_Fq + cyl_Fq; 

  • sasmodels/models/core_multi_shell.c

    rc5ac2b2 r925ad6e  
    33f_constant(double q, double r, double sld) 
    44{ 
    5   const double bes = sph_j1c(q * r); 
     5  const double bes = sas_3j1x_x(q * r); 
    66  const double vol = M_4PI_3 * cube(r); 
    77  return sld * vol * bes; 
    … …  
    3333  f = 0.; 
    3434  for (int i=0; i<n; i++) { 
    35     f += M_4PI_3 * cube(r) * (sld[i] - last_sld) * sph_j1c(q*r); 
     35    f += M_4PI_3 * cube(r) * (sld[i] - last_sld) * sas_3j1x_x(q*r); 
    3636    last_sld = sld[i]; 
    3737    r += thickness[i]; 
    3838  } 
    39   f += M_4PI_3 * cube(r) * (solvent_sld - last_sld) * sph_j1c(q*r); 
     39  f += M_4PI_3 * cube(r) * (solvent_sld - last_sld) * sas_3j1x_x(q*r); 
    4040  return f * f * 1.0e-4; 
    4141} 

  • sasmodels/models/core_multi_shell.py

    r2d73a53 r925ad6e  
    101101             ] 
    102102 
    103 source = ["lib/sph_j1c.c", "core_multi_shell.c"] 
     103source = ["lib/sas_3j1x_x.c", "core_multi_shell.c"] 
    104104 
    105105def profile(sld_core, radius, sld_solvent, n, sld, thickness): 

  • sasmodels/models/core_shell_bicelle.c

    r5bddd89 r592343f  
    5555    double sinarg2 = qq*(length+facthick)*cos_alpha; 
    5656 
    57     be1 = sas_J1c(besarg1); 
    58     be2 = sas_J1c(besarg2); 
    59     si1 = sinc(sinarg1); 
    60     si2 = sinc(sinarg2); 
     57    be1 = sas_2J1x_x(besarg1); 
     58    be2 = sas_2J1x_x(besarg2); 
     59    si1 = sas_sinx_x(sinarg1); 
     60    si2 = sas_sinx_x(sinarg2); 
    6161 
    6262    const double t = vol1*dr1*si1*be1 + 

  • sasmodels/models/core_shell_bicelle.py

    r8afefae r3b9a526  
    141141# pylint: enable=bad-whitespace, line-too-long 
    142142 
    143 source = ["lib/Si.c", "lib/polevl.c", "lib/sas_J1.c", "lib/gauss76.c", 
     143source = ["lib/sas_Si.c", "lib/polevl.c", "lib/sas_J1.c", "lib/gauss76.c", 
    144144          "core_shell_bicelle.c"] 
    145145 

  • sasmodels/models/core_shell_bicelle_elliptical.c

    rfcb33e4 r592343f  
    7676        double sinarg1 = qq*halfheight*cos_alpha; 
    7777        double sinarg2 = qq*(halfheight+facthick)*cos_alpha; 
    78         si1 = sinc(sinarg1); 
    79         si2 = sinc(sinarg2); 
     78        si1 = sas_sinx_x(sinarg1); 
     79        si2 = sas_sinx_x(sinarg2); 
    8080        for(int j=0;j<76;j++) { 
    8181            //76 gauss points for the inner integral (WAS 20 points,so this may make unecessarily slow, but playing safe) 
    … …  
    8585            double besarg1 = qq*rr*sin_alpha; 
    8686            double besarg2 = qq*(rr+radthick)*sin_alpha; 
    87             be1 = sas_J1c(besarg1); 
    88             be2 = sas_J1c(besarg2); 
     87            be1 = sas_2J1x_x(besarg1); 
     88            be2 = sas_2J1x_x(besarg2); 
    8989            inner_sum += Gauss76Wt[j] *square(dr1*si1*be1 + 
    9090                                              dr2*si2*be2 + 
    … …  
    129129    // ASSUME the sin_alpha is included in the separate integration over orientation of rod angle 
    130130    const double r = rad*sqrt(square(x_core*cos_nu) + cos_mu*cos_mu); 
    131     const double be1 = sas_J1c(qq*r); 
    132     const double be2 = sas_J1c( qq*(r + radthick ) ); 
    133     const double si1 = sinc( qq*halfheight*cos_val ); 
    134     const double si2 = sinc( qq*(halfheight + facthick)*cos_val ); 
     131    const double be1 = sas_2J1x_x( qq*r ); 
     132    const double be2 = sas_2J1x_x( qq*(r + radthick ) ); 
     133    const double si1 = sas_sinx_x( qq*halfheight*cos_val ); 
     134    const double si2 = sas_sinx_x( qq*(halfheight + facthick)*cos_val ); 
    135135    const double Aq = square( vol1*dr1*si1*be1 + vol2*dr2*si2*be2 +  vol3*dr3*si2*be1); 
    136136    //const double vol = form_volume(radius_minor, r_ratio, length); 

  • sasmodels/models/core_shell_bicelle_elliptical.py

    r8afefae r3b9a526  
    133133# pylint: enable=bad-whitespace, line-too-long 
    134134 
    135 source = ["lib/Si.c", "lib/polevl.c", "lib/sas_J1.c", "lib/gauss76.c","core_shell_bicelle_elliptical.c"] 
     135source = ["lib/sas_Si.c", "lib/polevl.c", "lib/sas_J1.c", "lib/gauss76.c", 
     136          "core_shell_bicelle_elliptical.c"] 
    136137 
    137138demo = dict(scale=1, background=0, 

  • sasmodels/models/core_shell_cylinder.c

    r9aa4881 r592343f  
    1111double _cyl(double vd, double besarg, double siarg) 
    1212{ 
    13     return vd * sinc(siarg) * sas_J1c(besarg); 
     13    return vd * sas_sinx_x(siarg) * sas_2J1x_x(besarg); 
    1414} 
    1515 

  • sasmodels/models/core_shell_ellipsoid.py

    rb7e8b94 rdaeef4c  
    137137# pylint: enable=bad-whitespace, line-too-long 
    138138 
    139 source = ["lib/sph_j1c.c", "lib/gfn.c", "lib/gauss76.c", 
     139source = ["lib/sas_3j1x_x.c", "lib/gfn.c", "lib/gauss76.c", 
    140140          "core_shell_ellipsoid.c"] 
    141141 
    … …  
    165165qx = q*cos(pi/6.0) 
    166166qy = q*sin(pi/6.0) 
    167 phi = 0.0 
    168167# 11Jan2017 RKH sorted tests after redefinition of angles 
    169168tests = [ 
    … …  
    193192      'scale': 1.0, 
    194193     }, 0.01, 8688.53], 
    195 # why does it need theta setting here, not globally above? 
    196    [{'background': 0.001, 'theta':90.0}, (0.4, 0.5), 0.00690673], 
     194 
     195   # 2D tests 
     196   [{'background': 0.001, 
     197     'theta': 90.0, 
     198     'phi': 0.0, 
     199     }, (0.4, 0.5), 0.00690673], 
    197200 
    198201   [{'radius_equat_core': 20.0, 
    … …  
    206209      'scale': 0.01, 
    207210      'theta': 90.0, 
     211      'phi': 0.0, 
    208212     }, (qx, qy), 0.01000025], 
    209213    ] 

  • sasmodels/models/core_shell_parallelepiped.c

    r14838a3 r1e7b0db0  
    8787            double sin_uu, cos_uu; 
    8888            SINCOS(M_PI_2*uu, sin_uu, cos_uu); 
    89             const double si1 = sinc(mu_proj * sin_uu * a_scaled); 
    90             const double si2 = sinc(mu_proj * cos_uu); 
    91             const double si3 = sinc(mu_proj * sin_uu * ta); 
    92             const double si4 = sinc(mu_proj * cos_uu * tb); 
     89            const double si1 = sas_sinx_x(mu_proj * sin_uu * a_scaled); 
     90            const double si2 = sas_sinx_x(mu_proj * cos_uu); 
     91            const double si3 = sas_sinx_x(mu_proj * sin_uu * ta); 
     92            const double si4 = sas_sinx_x(mu_proj * cos_uu * tb); 
    9393 
    9494            // Expression in libCylinder.c (neither drC nor Vot are used) 
    … …  
    109109 
    110110        // now sum up the outer integral 
    111         const double si = sinc(mu * c_scaled * sigma); 
     111        const double si = sas_sinx_x(mu * c_scaled * sigma); 
    112112        outer_total += Gauss76Wt[i] * inner_total * si * si; 
    113113    } 
    … …  
    160160    double tc = length_a + 2.0*thick_rim_c; 
    161161    //handle arg=0 separately, as sin(t)/t -> 1 as t->0 
    162     double siA = sinc(0.5*q*length_a*cos_val_a); 
    163     double siB = sinc(0.5*q*length_b*cos_val_b); 
    164     double siC = sinc(0.5*q*length_c*cos_val_c); 
    165     double siAt = sinc(0.5*q*ta*cos_val_a); 
    166     double siBt = sinc(0.5*q*tb*cos_val_b); 
    167     double siCt = sinc(0.5*q*tc*cos_val_c); 
     162    double siA = sas_sinx_x(0.5*q*length_a*cos_val_a); 
     163    double siB = sas_sinx_x(0.5*q*length_b*cos_val_b); 
     164    double siC = sas_sinx_x(0.5*q*length_c*cos_val_c); 
     165    double siAt = sas_sinx_x(0.5*q*ta*cos_val_a); 
     166    double siBt = sas_sinx_x(0.5*q*tb*cos_val_b); 
     167    double siCt = sas_sinx_x(0.5*q*tc*cos_val_c); 
    168168     
    169169 

  • sasmodels/models/core_shell_sphere.py

    r4962519 r925ad6e  
    7575# pylint: enable=bad-whitespace, line-too-long 
    7676 
    77 source = ["lib/sph_j1c.c", "lib/core_shell.c", "core_shell_sphere.c"] 
     77source = ["lib/sas_3j1x_x.c", "lib/core_shell.c", "core_shell_sphere.c"] 
    7878 
    7979demo = dict(scale=1, background=0, radius=60, thickness=10, 

  • sasmodels/models/cylinder.c

    rb829b16 r592343f  
    1818    const double qr = q*radius; 
    1919    const double qh = q*0.5*length;  
    20     return sas_J1c(qr*sn) * sinc(qh*cn); 
     20    return sas_2J1x_x(qr*sn) * sas_sinx_x(qh*cn); 
    2121} 
    2222 

  • sasmodels/models/ellipsoid.c

    r73e08ae r925ad6e  
    1818    const double r = radius_equatorial 
    1919                     * sqrt(1.0 + sin_alpha*sin_alpha*(ratio*ratio - 1.0)); 
    20     const double f = sph_j1c(q*r); 
     20    const double f = sas_3j1x_x(q*r); 
    2121 
    2222    return f*f; 

  • sasmodels/models/ellipsoid.py

    r0d6e865 r925ad6e  
    135135             ] 
    136136 
    137 source = ["lib/sph_j1c.c", "lib/gauss76.c", "ellipsoid.c"] 
     137source = ["lib/sas_3j1x_x.c", "lib/gauss76.c", "ellipsoid.c"] 
    138138 
    139139def ER(radius_polar, radius_equatorial): 

  • sasmodels/models/elliptical_cylinder.c

    r251f54b r592343f  
    3939            const double theta = ( Gauss20Z[j]*(vbj-vaj) + vaj + vbj )/2.0; 
    4040            const double r = sin_val*sqrt(rA - rB*cos(theta)); 
    41             const double be = sas_J1c(q*r); 
     41            const double be = sas_2J1x_x(q*r); 
    4242            inner_sum += Gauss20Wt[j] * be * be; 
    4343        } 
    … …  
    4646 
    4747        //now calculate outer integral 
    48         const double si = sinc(q*0.5*length*cos_val); 
     48        const double si = sas_sinx_x(q*0.5*length*cos_val); 
    4949        outer_sum += Gauss76Wt[i] * inner_sum * si * si; 
    5050    } 
    … …  
    7373    // Given:    radius_major = r_ratio * radius_minor 
    7474    const double r = radius_minor*sqrt(square(r_ratio*cos_nu) + cos_mu*cos_mu); 
    75     const double be = sas_J1c(q*r); 
    76     const double si = sinc(q*0.5*length*cos_val); 
     75    const double be = sas_2J1x_x(q*r); 
     76    const double si = sas_sinx_x(q*0.5*length*cos_val); 
    7777    const double Aq = be * si; 
    7878    const double delrho = sld - solvent_sld; 

  • sasmodels/models/fcc_paracrystal.py

    r0bef47b r925ad6e  
    116116# pylint: enable=bad-whitespace, line-too-long 
    117117 
    118 source = ["lib/sph_j1c.c", "lib/gauss150.c", "lib/sphere_form.c", "fcc_paracrystal.c"] 
     118source = ["lib/sas_3j1x_x.c", "lib/gauss150.c", "lib/sphere_form.c", "fcc_paracrystal.c"] 
    119119 
    120120# parameters for demo 

  • sasmodels/models/flexible_cylinder.c

    r4937980 r592343f  
    1414{ 
    1515    const double contrast = sld - solvent_sld; 
    16     const double cross_section = sas_J1c(q*radius); 
     16    const double cross_section = sas_2J1x_x(q*radius); 
    1717    const double volume = M_PI*radius*radius*length; 
    1818    const double flex = Sk_WR(q, length, kuhn_length); 

  • sasmodels/models/flexible_cylinder_elliptical.c

    r92ce163 r592343f  
    2222        SINCOS(zi, sn, cn); 
    2323        const double arg = q*sqrt(a*a*sn*sn + b*b*cn*cn); 
    24         const double yyy = sas_J1c(arg); 
     24        const double yyy = sas_2J1x_x(arg); 
    2525        sum += Gauss76Wt[i] * yyy * yyy; 
    2626    } 

  • sasmodels/models/fractal.c

    r217590b r925ad6e  
    1414    //calculate P(q) for the spherical subunits 
    1515    const double V = M_4PI_3*cube(radius); 
    16     const double pq = V * square((sld_block-sld_solvent)*sph_j1c(q*radius)); 
     16    const double pq = V * square((sld_block-sld_solvent)*sas_3j1x_x(q*radius)); 
    1717 
    1818    // scale to units cm-1 sr-1 (assuming data on absolute scale) 

  • sasmodels/models/fractal.py

    rfef353f r925ad6e  
    9797# pylint: enable=bad-whitespace, line-too-long 
    9898 
    99 source = ["lib/sph_j1c.c", "lib/sas_gamma.c", "lib/fractal_sq.c", "fractal.c"] 
     99source = ["lib/sas_3j1x_x.c", "lib/sas_gamma.c", "lib/fractal_sq.c", "fractal.c"] 
    100100 
    101101demo = dict(volfraction=0.05, 

  • sasmodels/models/fractal_core_shell.py

    rd6f60c3 r925ad6e  
    9595# pylint: enable=bad-whitespace, line-too-long 
    9696 
    97 source = ["lib/sph_j1c.c", "lib/sas_gamma.c", "lib/core_shell.c", 
     97source = ["lib/sas_3j1x_x.c", "lib/sas_gamma.c", "lib/core_shell.c", 
    9898          "lib/fractal_sq.c", "fractal_core_shell.c"] 
    9999 

  • sasmodels/models/fuzzy_sphere.py

    r3a48772 r925ad6e  
    8181# pylint: enable=bad-whitespace,line-too-long 
    8282 
    83 source = ["lib/sph_j1c.c"] 
     83source = ["lib/sas_3j1x_x.c"] 
    8484 
    8585# No volume normalization despite having a volume parameter 
    … …  
    9191Iq = """ 
    9292    const double qr = q*radius; 
    93     const double bes = sph_j1c(qr); 
     93    const double bes = sas_3j1x_x(qr); 
    9494    const double qf = q*fuzziness; 
    9595    const double fq = bes * (sld - sld_solvent) * form_volume(radius) * exp(-0.5*qf*qf); 

  • sasmodels/models/hollow_cylinder.c

    rf8f0991 r592343f  
    2020{ 
    2121    const double qs = q*sin_val; 
    22     const double lam1 = sas_J1c((radius+thickness)*qs); 
    23     const double lam2 = sas_J1c(radius*qs); 
     22    const double lam1 = sas_2J1x_x((radius+thickness)*qs); 
     23    const double lam2 = sas_2J1x_x(radius*qs); 
    2424    const double gamma_sq = square(radius/(radius+thickness)); 
    25     //Note: lim_{thickness -> 0} psi = J0(radius*qs) 
    26     //Note: lim_{radius -> 0} psi = sas_J1c(thickness*qs) 
     25    //Note: lim_{thickness -> 0} psi = sas_J0(radius*qs) 
     26    //Note: lim_{radius -> 0} psi = sas_2J1x_x(thickness*qs) 
    2727    const double psi = (lam1 - gamma_sq*lam2)/(1.0 - gamma_sq); //SRK 10/19/00 
    28     const double t2 = sinc(0.5*q*length*cos_val); 
     28    const double t2 = sas_sinx_x(0.5*q*length*cos_val); 
    2929    return psi*t2; 
    3030} 

  • sasmodels/models/hollow_rectangular_prism.c

    r6f676fb r1e7b0db0  
    4545        SINCOS(theta, sin_theta, cos_theta); 
    4646 
    47         const double termC1 = sinc(q * c_half * cos(theta)); 
    48         const double termC2 = sinc(q * (c_half-thickness)*cos(theta)); 
     47        const double termC1 = sas_sinx_x(q * c_half * cos(theta)); 
     48        const double termC2 = sas_sinx_x(q * (c_half-thickness)*cos(theta)); 
    4949 
    5050        double inner_sum = 0.0; 
    … …  
    5757            // Amplitude AP from eqn. (13), rewritten to avoid round-off effects when arg=0 
    5858 
    59             const double termA1 = sinc(q * a_half * sin_theta * sin_phi); 
    60             const double termA2 = sinc(q * (a_half-thickness) * sin_theta * sin_phi); 
     59            const double termA1 = sas_sinx_x(q * a_half * sin_theta * sin_phi); 
     60            const double termA2 = sas_sinx_x(q * (a_half-thickness) * sin_theta * sin_phi); 
    6161 
    62             const double termB1 = sinc(q * b_half * sin_theta * cos_phi); 
    63             const double termB2 = sinc(q * (b_half-thickness) * sin_theta * cos_phi); 
     62            const double termB1 = sas_sinx_x(q * b_half * sin_theta * cos_phi); 
     63            const double termB2 = sas_sinx_x(q * (b_half-thickness) * sin_theta * cos_phi); 
    6464 
    6565            const double AP1 = vol_total * termA1 * termB1 * termC1; 

  • sasmodels/models/lib/core_shell.c

    r3a48772 r925ad6e  
    1616    const double core_qr = q * radius; 
    1717    const double core_contrast = core_sld - shell_sld; 
    18     const double core_bes = sph_j1c(core_qr); 
     18    const double core_bes = sas_3j1x_x(core_qr); 
    1919    const double core_volume = M_4PI_3 * cube(radius); 
    2020    double f = core_volume * core_bes * core_contrast; 
    … …  
    2323    const double shell_qr = q * (radius + thickness); 
    2424    const double shell_contrast = shell_sld - solvent_sld; 
    25     const double shell_bes = sph_j1c(shell_qr); 
     25    const double shell_bes = sas_3j1x_x(shell_qr); 
    2626    const double shell_volume = M_4PI_3 * cube(radius + thickness); 
    2727    f += shell_volume * shell_bes * shell_contrast; 

  • sasmodels/models/lib/gfn.c

    r3a48772 r925ad6e  
    1818    // changing to more accurate sph_j1c since the following inexplicably fails on Radeon Nano. 
    1919    //const double siq = (uq == 0.0 ? 1.0 : 3.0*(sin(uq)/uq/uq - cos(uq)/uq)/uq); 
    20     const double siq = sph_j1c(uq); 
     20    const double siq = sas_3j1x_x(uq); 
    2121    const double vc = M_4PI_3*aa*aa*bb; 
    2222    const double gfnc = siq*vc*delpc; 
    … …  
    2626    const double vt = M_4PI_3*trmaj*trmaj*trmin; 
    2727    //const double sit = (ut == 0.0 ? 1.0 : 3.0*(sin(ut)/ut/ut - cos(ut)/ut)/ut); 
    28     const double sit = sph_j1c(ut); 
     28    const double sit = sas_3j1x_x(ut); 
    2929    const double gfnt = sit*vt*delps; 
    3030 

  • sasmodels/models/lib/sas_3j1x_x.c

    rba32cdd r473a9f1  
    77* using double precision that are the source. 
    88*/ 
    9 double sph_j1c(double q); 
     9double sas_3j1x_x(double q); 
    1010 
    1111// The choice of the number of terms in the series and the cutoff value for 
    … …  
    4444#endif 
    4545 
    46 double sph_j1c(double q) 
     46double sas_3j1x_x(double q) 
    4747{ 
    4848    if (q < SPH_J1C_CUTOFF) { 

  • sasmodels/models/lib/sas_J1.c

    rc8902ac r473a9f1  
    217217 
    218218//Finally J1c function that equals 2*J1(x)/x 
    219 double sas_J1c(double x); 
    220 double sas_J1c(double x) 
     219double sas_2J1x_x(double x); 
     220double sas_2J1x_x(double x) 
    221221{ 
    222222    return (x != 0.0 ) ? 2.0*sas_J1(x)/x : 1.0; 

  • sasmodels/models/lib/sas_Si.c

    rf719764 r473a9f1  
    11// integral of sin(x)/x Taylor series approximated to w/i 0.1% 
    2 double Si(double x); 
    3 double Si(double x) 
     2double sas_Si(double x); 
     3double sas_Si(double x) 
    44{ 
    55    if (x >= M_PI*6.2/4.0) { 

  • sasmodels/models/lib/sphere_form.c

    rba32cdd r925ad6e  
    99double sphere_form(double q, double radius, double sld, double solvent_sld) 
    1010{ 
    11     const double fq = sphere_volume(radius) * sph_j1c(q*radius); 
     11    const double fq = sphere_volume(radius) * sas_3j1x_x(q*radius); 
    1212    const double contrast = (sld - solvent_sld); 
    1313    return 1.0e-4*square(contrast * fq); 

  • sasmodels/models/linear_pearls.c

    r4962519 r925ad6e  
    4444 
    4545    //sine functions of a pearl 
    46     double psi = sph_j1c(q * radius); 
     46    double psi = sas_3j1x_x(q * radius); 
    4747 
    4848    // N pearls contribution 
    … …  
    5050    n_contrib = num_pearls; 
    5151    for(int num=1; num<=n_max; num++) { 
    52         n_contrib += (2.0*(num_pearls-num)*sinc(q*separation*num)); 
     52        n_contrib += (2.0*(num_pearls-num)*sas_sinx_x(q*separation*num)); 
    5353    } 
    5454    // form factor for num_pearls 

  • sasmodels/models/linear_pearls.py

    r4962519 r925ad6e  
    6363single = False 
    6464 
    65 source = ["lib/sph_j1c.c", "linear_pearls.c"] 
     65source = ["lib/sas_3j1x_x.c", "linear_pearls.c"] 
    6666 
    6767demo = dict(scale=1.0, background=0.0, 

  • sasmodels/models/mass_fractal.c

    r6d96b66 r925ad6e  
    55{ 
    66    //calculate P(q) 
    7     const double pq = square(sph_j1c(q*radius)); 
     7    const double pq = square(sas_3j1x_x(q*radius)); 
    88 
    99    //calculate S(q) 

  • sasmodels/models/mass_fractal.py

    r6d96b66 r925ad6e  
    8686# pylint: enable=bad-whitespace, line-too-long 
    8787 
    88 source = ["lib/sph_j1c.c", "lib/sas_gamma.c", "mass_fractal.c"] 
     88source = ["lib/sas_3j1x_x.c", "lib/sas_gamma.c", "mass_fractal.c"] 
    8989 
    9090demo = dict(scale=1, background=0, 

  • sasmodels/models/multilayer_vesicle.c

    r3a48772 r925ad6e  
    2020        // layer 1 
    2121        voli = M_4PI_3*ri*ri*ri; 
    22         fval += voli*sldi*sph_j1c(ri*q); 
     22        fval += voli*sldi*sas_3j1x_x(ri*q); 
    2323 
    2424        ri += thick_shell; 
    … …  
    2626        // layer 2 
    2727        voli = M_4PI_3*ri*ri*ri; 
    28         fval -= voli*sldi*sph_j1c(ri*q); 
     28        fval -= voli*sldi*sas_3j1x_x(ri*q); 
    2929 
    3030        //do 2 layers at a time 

  • sasmodels/models/multilayer_vesicle.py

    r041bc75 r925ad6e  
    107107# pylint: enable=bad-whitespace, line-too-long 
    108108 
    109 source = ["lib/sph_j1c.c", "multilayer_vesicle.c"] 
     109source = ["lib/sas_3j1x_x.c", "multilayer_vesicle.c"] 
    110110 
    111111polydispersity = ["radius", "n_pairs"] 

  • sasmodels/models/onion.c

    r9762341 r925ad6e  
    66  const double vol = M_4PI_3 * cube(r); 
    77  const double qr = q * r; 
    8   const double bes = sph_j1c(qr); 
     8  const double bes = sas_3j1x_x(qr); 
    99  const double alpha = A * r/thickness; 
    1010  double result; 

  • sasmodels/models/onion.py

    r9762341 r925ad6e  
    314314# pylint: enable=bad-whitespace, line-too-long 
    315315 
    316 source = ["lib/sph_j1c.c", "onion.c"] 
     316source = ["lib/sas_3j1x_x.c", "onion.c"] 
    317317single = False 
    318318 

  • sasmodels/models/parallelepiped.c

    r14838a3 r1e7b0db0  
    3939            double sin_uu, cos_uu; 
    4040            SINCOS(M_PI_2*uu, sin_uu, cos_uu); 
    41             const double si1 = sinc(mu_proj * sin_uu * a_scaled); 
    42             const double si2 = sinc(mu_proj * cos_uu); 
     41            const double si1 = sas_sinx_x(mu_proj * sin_uu * a_scaled); 
     42            const double si2 = sas_sinx_x(mu_proj * cos_uu); 
    4343            inner_total += Gauss76Wt[j] * square(si1 * si2); 
    4444        } 
    4545        inner_total *= 0.5; 
    4646 
    47         const double si = sinc(mu * c_scaled * sigma); 
     47        const double si = sas_sinx_x(mu * c_scaled * sigma); 
    4848        outer_total += Gauss76Wt[i] * inner_total * si * si; 
    4949    } 
    … …  
    7070    ORIENT_ASYMMETRIC(qx, qy, theta, phi, psi, q, cos_val_c, cos_val_b, cos_val_a); 
    7171 
    72     const double siA = sinc(0.5*q*length_a*cos_val_a); 
    73     const double siB = sinc(0.5*q*length_b*cos_val_b); 
    74     const double siC = sinc(0.5*q*length_c*cos_val_c); 
     72    const double siA = sas_sinx_x(0.5*q*length_a*cos_val_a); 
     73    const double siB = sas_sinx_x(0.5*q*length_b*cos_val_b); 
     74    const double siC = sas_sinx_x(0.5*q*length_c*cos_val_c); 
    7575    const double V = form_volume(length_a, length_b, length_c); 
    7676    const double drho = (sld - solvent_sld); 

  • sasmodels/models/pearl_necklace.c

    r2126131 r4b541ac  
    3434    // But there is a 1/(1-sinc) term below which blows up so don't bother 
    3535    const double q_edge = q * edge_sep; 
    36     const double beta = (Si(q*(A_s-radius)) - Si(q*radius)) / q_edge; 
    37     const double gamma = Si(q_edge) / q_edge; 
    38     const double psi = sph_j1c(q*radius); 
     36    const double beta = (sas_Si(q*(A_s-radius)) - sas_Si(q*radius)) / q_edge; 
     37    const double gamma = sas_Si(q_edge) / q_edge; 
     38    const double psi = sas_3j1x_x(q*radius); 
    3939 
    4040    // Precomputed sinc terms 
    41     const double si = sinc(q*A_s); 
     41    const double si = sas_sinx_x(q*A_s); 
    4242    const double omsi = 1.0 - si; 
    4343    const double pow_si = pow(si, num_pearls); 
    … …  
    5454        - 2.0 * (1.0 - pow_si/si)*beta*beta / (omsi*omsi) 
    5555        + 2.0 * num_strings*beta*beta / omsi 
    56         + num_strings * (2.0*gamma - square(sinc(q_edge/2.0))) 
     56        + num_strings * (2.0*gamma - square(sas_sinx_x(q_edge/2.0))) 
    5757        ); 
    5858 

  • sasmodels/models/pearl_necklace.py

    r2126131 r4b541ac  
    9292             ] 
    9393 
    94 source = ["lib/Si.c", "lib/sph_j1c.c", "pearl_necklace.c"] 
     94source = ["lib/sas_Si.c", "lib/sas_3j1x_x.c", "pearl_necklace.c"] 
    9595single = False  # use double precision unless told otherwise 
    9696 

  • sasmodels/models/polymer_micelle.c

    rc3ebc71 r925ad6e  
    3131 
    3232    // Self-correlation term of the core 
    33     const double bes_core = sph_j1c(q*radius_core); 
     33    const double bes_core = sas_3j1x_x(q*radius_core); 
    3434    const double term1 = square(n_aggreg*beta_core*bes_core); 
    3535 
    … …  
    4141    // Interference cross-term between core and chains 
    4242    const double chain_ampl = (qrg2 == 0.0) ? 1.0 : -expm1(-qrg2)/qrg2; 
    43     const double bes_corona = sinc(q*(radius_core + d_penetration * rg)); 
     43    const double bes_corona = sas_sinx_x(q*(radius_core + d_penetration * rg)); 
    4444    const double term3 = 2.0 * n_aggreg * n_aggreg * beta_core * beta_corona * 
    4545                 bes_core * chain_ampl * bes_corona; 

  • sasmodels/models/polymer_micelle.py

    rbba9361 r925ad6e  
    104104single = False 
    105105 
    106 source = ["lib/sph_j1c.c", "polymer_micelle.c"] 
     106source = ["lib/sas_3j1x_x.c", "polymer_micelle.c"] 
    107107 
    108108demo = dict(scale=1, background=0, 

  • sasmodels/models/pringle.c

    r30fbe2e r1e7b0db0  
    9191        SINCOS(psi, sin_psi, cos_psi); 
    9292        double bessel_term = _sum_bessel_orders(radius, alpha, beta, q*sin_psi, q*cos_psi); 
    93         double sinc_term = square(sinc(q * thickness * cos_psi / 2.0)); 
     93        double sinc_term = square(sas_sinx_x(q * thickness * cos_psi / 2.0)); 
    9494        double pringle_kernel = 4.0 * sin_psi * bessel_term * sinc_term; 
    9595        sum += Gauss76Wt[i] * pringle_kernel; 

  • sasmodels/models/raspberry.c

    r2c74c11 r925ad6e  
    5151 
    5252    //Form factors for each particle 
    53     psiL = sph_j1c(q*rL); 
    54     psiS = sph_j1c(q*rS); 
     53    psiL = sas_3j1x_x(q*rL); 
     54    psiS = sas_3j1x_x(q*rS); 
    5555 
    5656    //Cross term between large and small particles 
    57     sfLS = psiL*psiS*sinc(q*(rL+deltaS*rS)); 
     57    sfLS = psiL*psiS*sas_sinx_x(q*(rL+deltaS*rS)); 
    5858    //Cross term between small particles at the surface 
    59     sfSS = psiS*psiS*sinc(q*(rL+deltaS*rS))*sinc(q*(rL+deltaS*rS)); 
     59    sfSS = psiS*psiS*sas_sinx_x(q*(rL+deltaS*rS))*sas_sinx_x(q*(rL+deltaS*rS)); 
    6060 
    6161    //Large sphere form factor term 

  • sasmodels/models/raspberry.py

    r40a87fa r8e68ea0  
    129129            Ref: J. coll. inter. sci. (2010) vol. 343 (1) pp. 36-41.""" 
    130130category = "shape:sphere" 
    131 #single = False 
     131 
    132132 
    133133#             [ "name", "units", default, [lower, upper], "type", "description"], 
    … …  
    152152             ] 
    153153 
    154 source = ["lib/sph_j1c.c", "raspberry.c"] 
     154source = ["lib/sas_3j1x_x.c", "raspberry.c"] 
    155155 
    156156# parameters for demo 

  • sasmodels/models/rectangular_prism.c

    rab2aea8 r1e7b0db0  
    3333        SINCOS(theta, sin_theta, cos_theta); 
    3434 
    35         const double termC = sinc(q * c_half * cos_theta); 
     35        const double termC = sas_sinx_x(q * c_half * cos_theta); 
    3636 
    3737        double inner_sum = 0.0; 
    … …  
    4242 
    4343            // Amplitude AP from eqn. (12), rewritten to avoid round-off effects when arg=0 
    44             const double termA = sinc(q * a_half * sin_theta * sin_phi); 
    45             const double termB = sinc(q * b_half * sin_theta * cos_phi); 
     44            const double termA = sas_sinx_x(q * a_half * sin_theta * sin_phi); 
     45            const double termB = sas_sinx_x(q * b_half * sin_theta * cos_phi); 
    4646            const double AP = termA * termB * termC; 
    4747            inner_sum += Gauss76Wt[j] * AP * AP; 

  • sasmodels/models/sc_paracrystal.py

    r0bef47b r925ad6e  
    133133# pylint: enable=bad-whitespace, line-too-long 
    134134 
    135 source = ["lib/sph_j1c.c", "lib/sphere_form.c", "lib/gauss150.c", "sc_paracrystal.c"] 
     135source = ["lib/sas_3j1x_x.c", "lib/sphere_form.c", "lib/gauss150.c", "sc_paracrystal.c"] 
    136136 
    137137demo = dict(scale=1, background=0, 

  • sasmodels/models/sphere.py

    r7e6bea81 r925ad6e  
    6666             ] 
    6767 
    68 source = ["lib/sph_j1c.c", "lib/sphere_form.c"] 
     68source = ["lib/sas_3j1x_x.c", "lib/sphere_form.c"] 
    6969 
    7070# No volume normalization despite having a volume parameter 

  • sasmodels/models/spherical_sld.c

    r54bcd4a r925ad6e  
    3434    const double qr = q * r; 
    3535    const double qrsq = qr * qr; 
    36     const double bes = sph_j1c(qr); 
     36    const double bes = sas_3j1x_x(qr); 
    3737    double sinqr, cosqr; 
    3838    SINCOS(qr, sinqr, cosqr); 
    … …  
    6060 
    6161        // uniform shell; r=0 => r^3=0 => f=0, so works for core as well. 
    62         f -= M_4PI_3 * cube(r) * sld_l * sph_j1c(q*r); 
     62        f -= M_4PI_3 * cube(r) * sld_l * sas_3j1x_x(q*r); 
    6363        r += thickness[shell]; 
    64         f += M_4PI_3 * cube(r) * sld_l * sph_j1c(q*r); 
     64        f += M_4PI_3 * cube(r) * sld_l * sas_3j1x_x(q*r); 
    6565 
    6666        // iterate over sub_shells in the interface 
    … …  
    9292    } 
    9393    // add in solvent effect 
    94     f -= M_4PI_3 * cube(r) * sld_solvent * sph_j1c(q*r); 
     94    f -= M_4PI_3 * cube(r) * sld_solvent * sas_3j1x_x(q*r); 
    9595 
    9696    const double f2 = f * f * 1.0e-4; 

  • sasmodels/models/spherical_sld.py

    r2d65d51 r925ad6e  
    214214             ] 
    215215# pylint: enable=bad-whitespace, line-too-long 
    216 source = ["lib/polevl.c", "lib/sas_erf.c", "lib/sph_j1c.c", "spherical_sld.c"] 
     216source = ["lib/polevl.c", "lib/sas_erf.c", "lib/sas_3j1x_x.c", "spherical_sld.c"] 
    217217single = False  # TODO: fix low q behaviour 
    218218 

  • sasmodels/models/stacked_disks.c

    r98ce141 r6c3e266  
    5353    const double sinarg2 = q*(halfheight+thick_layer)*cos_alpha; 
    5454 
    55     const double be1 = sas_J1c(besarg1); 
    56     //const double be2 = sas_J1c(besarg2); 
     55    const double be1 = sas_2J1x_x(besarg1); 
     56    //const double be2 = sas_2J1x_x(besarg2); 
    5757    const double be2 = be1; 
    58     const double si1 = sinc(sinarg1); 
    59     const double si2 = sinc(sinarg2); 
     58    const double si1 = sas_sinx_x(sinarg1); 
     59    const double si2 = sas_sinx_x(sinarg2); 
    6060 
    6161    const double dr1 = core_sld - solvent_sld; 

  • sasmodels/models/surface_fractal.c

    rb716cc6 r925ad6e  
    1515{ 
    1616    // calculate P(q) 
    17     const double pq = square(sph_j1c(q*radius)); 
     17    const double pq = square(sas_3j1x_x(q*radius)); 
    1818 
    1919    // calculate S(q) 

  • sasmodels/models/surface_fractal.py

    r5c94f41 r925ad6e  
    7272# pylint: enable=bad-whitespace, line-too-long 
    7373 
    74 source = ["lib/sph_j1c.c", "lib/sas_gamma.c", "surface_fractal.c"] 
     74source = ["lib/sas_3j1x_x.c", "lib/sas_gamma.c", "surface_fractal.c"] 
    7575 
    7676demo = dict(scale=1, background=1e-5, 

  • sasmodels/models/triaxial_ellipsoid.c

    r3a48772 r925ad6e  
    3737            const double ysq = square(Gauss76Z[j]*zm + zb); 
    3838            const double t = q*sqrt(acosx2 + bsinx2*(1.0-ysq) + c2*ysq); 
    39             const double fq = sph_j1c(t); 
     39            const double fq = sas_3j1x_x(t); 
    4040            inner += Gauss76Wt[j] * fq * fq ; 
    4141        } 
    … …  
    6464                          + radius_equat_major*radius_equat_major*cmu*cmu 
    6565                          + radius_polar*radius_polar*calpha*calpha); 
    66     const double fq = sph_j1c(t); 
     66    const double fq = sas_3j1x_x(t); 
    6767    const double s = (sld - sld_solvent) * form_volume(radius_equat_minor, radius_equat_major, radius_polar); 
    6868 

  • sasmodels/models/triaxial_ellipsoid.py

    r416f5c7 r925ad6e  
    104104             ] 
    105105 
    106 source = ["lib/sph_j1c.c", "lib/gauss76.c", "triaxial_ellipsoid.c"] 
     106source = ["lib/sas_3j1x_x.c", "lib/gauss76.c", "triaxial_ellipsoid.c"] 
    107107 
    108108def ER(radius_equat_minor, radius_equat_major, radius_polar): 

  • sasmodels/models/vesicle.c

    r3a48772 r925ad6e  
    3030    contrast = sld_solvent-sld; 
    3131    vol = M_4PI_3*cube(radius); 
    32     f = vol * sph_j1c(q*radius) * contrast; 
     32    f = vol * sas_3j1x_x(q*radius) * contrast; 
    3333  
    3434    //now the shell. No volume normalization as this is done by the caller 
    3535    contrast = sld-sld_solvent; 
    3636    vol = M_4PI_3*cube(radius+thickness); 
    37     f += vol * sph_j1c(q*(radius+thickness)) * contrast; 
     37    f += vol * sas_3j1x_x(q*(radius+thickness)) * contrast; 
    3838 
    3939    //rescale to [cm-1].  

  • sasmodels/models/vesicle.py

    r3a48772 r925ad6e  
    9494             ] 
    9595 
    96 source = ["lib/sph_j1c.c", "vesicle.c"] 
     96source = ["lib/sas_3j1x_x.c", "vesicle.c"] 
    9797 
    9898def ER(radius, thickness): 
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