[2e44ac7] | 1 | /* |
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| 2 | ########################################################## |
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| 3 | # # |
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| 4 | # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # |
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| 5 | # !! !! # |
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| 6 | # !! KEEP THIS CODE CONSISTENT WITH KERNELPY.PY !! # |
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| 7 | # !! !! # |
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| 8 | # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # |
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| 9 | # # |
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| 10 | ########################################################## |
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| 11 | */ |
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| 12 | |
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[9ee2756] | 13 | // NOTE: the following macros are defined in generate.py: |
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| 14 | // |
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[6aee3ab] | 15 | // MAX_PD : the maximum number of dispersity loops allowed for this model, |
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| 16 | // which will be at most modelinfo.MAX_PD. |
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[9ee2756] | 17 | // NUM_PARS : the number of parameters in the parameter table |
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| 18 | // NUM_VALUES : the number of values to skip at the start of the |
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| 19 | // values array before you get to the dispersity values. |
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| 20 | // PARAMETER_TABLE : list of parameter declarations used to create the |
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| 21 | // ParameterTable type. |
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| 22 | // KERNEL_NAME : model_Iq, model_Iqxy or model_Imagnetic. This code is |
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| 23 | // included three times, once for each kernel type. |
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[2c108a3] | 24 | // MAGNETIC : defined when the magnetic kernel is being instantiated |
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| 25 | // NUM_MAGNETIC : the number of magnetic parameters |
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[9ee2756] | 26 | // MAGNETIC_PARS : a comma-separated list of indices to the sld |
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| 27 | // parameters in the parameter table. |
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| 28 | // CALL_VOLUME(table) : call the form volume function |
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| 29 | // CALL_IQ(q, table) : call the Iq function for 1D calcs. |
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| 30 | // CALL_IQ_A(q, table) : call the Iq function with |q| for 2D data. |
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| 31 | // CALL_IQ_AC(qa, qc, table) : call the Iqxy function for symmetric shapes |
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| 32 | // CALL_IQ_ABC(qa, qc, table) : call the Iqxy function for asymmetric shapes |
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[108e70e] | 33 | // CALL_IQ_XY(qx, qy, table) : call the Iqxy function for arbitrary models |
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[9ee2756] | 34 | // INVALID(table) : test if the current point is feesible to calculate. This |
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| 35 | // will be defined in the kernel definition file. |
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[ff10479] | 36 | // PROJECTION : equirectangular=1, sinusoidal=2 |
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| 37 | // see explore/jitter.py for definitions. |
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[767dca8] | 38 | |
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[01c8d9e] | 39 | |
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[03cac08] | 40 | #ifndef _PAR_BLOCK_ // protected block so we can include this code twice. |
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| 41 | #define _PAR_BLOCK_ |
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[2e44ac7] | 42 | |
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| 43 | typedef struct { |
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[60eab2a] | 44 | #if MAX_PD > 0 |
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[2c108a3] | 45 | int32_t pd_par[MAX_PD]; // id of the nth dispersity variable |
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| 46 | int32_t pd_length[MAX_PD]; // length of the nth dispersity weight vector |
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[0a7e5eb4] | 47 | int32_t pd_offset[MAX_PD]; // offset of pd weights in the value & weight vector |
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[5cf3c33] | 48 | int32_t pd_stride[MAX_PD]; // stride to move to the next index at this level |
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[60eab2a] | 49 | #endif // MAX_PD > 0 |
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[bde38b5] | 50 | int32_t num_eval; // total number of voxels in hypercube |
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| 51 | int32_t num_weights; // total length of the weights vector |
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[5ff1b03] | 52 | int32_t num_active; // number of non-trivial pd loops |
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[8698a0d] | 53 | int32_t theta_par; // id of first orientation variable |
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[2e44ac7] | 54 | } ProblemDetails; |
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| 55 | |
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[bde38b5] | 56 | // Intel HD 4000 needs private arrays to be a multiple of 4 long |
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[2e44ac7] | 57 | typedef struct { |
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[56547a8] | 58 | PARAMETER_TABLE |
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[bde38b5] | 59 | } ParameterTable; |
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| 60 | typedef union { |
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| 61 | ParameterTable table; |
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| 62 | double vector[4*((NUM_PARS+3)/4)]; |
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[2e44ac7] | 63 | } ParameterBlock; |
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[9eb3632] | 64 | #endif // _PAR_BLOCK_ |
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[03cac08] | 65 | |
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[9ee2756] | 66 | #if defined(MAGNETIC) && NUM_MAGNETIC > 0 |
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| 67 | // ===== Helper functions for magnetism ===== |
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[a4280bd] | 68 | |
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[32e3c9b] | 69 | // Return value restricted between low and high |
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| 70 | static double clip(double value, double low, double high) |
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| 71 | { |
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[b966a96] | 72 | return (value < low ? low : (value > high ? high : value)); |
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[32e3c9b] | 73 | } |
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| 74 | |
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| 75 | // Compute spin cross sections given in_spin and out_spin |
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| 76 | // To convert spin cross sections to sld b: |
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| 77 | // uu * (sld - m_sigma_x); |
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| 78 | // dd * (sld + m_sigma_x); |
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[2c108a3] | 79 | // ud * (m_sigma_y - 1j*m_sigma_z); |
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| 80 | // du * (m_sigma_y + 1j*m_sigma_z); |
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| 81 | // weights for spin crosssections: dd du real, ud real, uu, du imag, ud imag |
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[885753a] | 82 | static void set_spin_weights(double in_spin, double out_spin, double weight[6]) |
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[32e3c9b] | 83 | { |
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[b966a96] | 84 | in_spin = clip(in_spin, 0.0, 1.0); |
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| 85 | out_spin = clip(out_spin, 0.0, 1.0); |
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[7c35fda] | 86 | // Previous version of this function took the square root of the weights, |
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| 87 | // under the assumption that |
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| 88 | // |
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[885753a] | 89 | // w*I(q, rho1, rho2, ...) = I(q, sqrt(w)*rho1, sqrt(w)*rho2, ...) |
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[7c35fda] | 90 | // |
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| 91 | // However, since the weights are applied to the final intensity and |
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| 92 | // are not interned inside the I(q) function, we want the full |
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| 93 | // weight and not the square root. Any function using |
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| 94 | // set_spin_weights as part of calculating an amplitude will need to |
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| 95 | // manually take that square root, but there is currently no such |
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| 96 | // function. |
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[84e89cd] | 97 | weight[0] = (1.0-in_spin) * (1.0-out_spin); // dd |
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| 98 | weight[1] = (1.0-in_spin) * out_spin; // du |
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| 99 | weight[2] = in_spin * (1.0-out_spin); // ud |
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| 100 | weight[3] = in_spin * out_spin; // uu |
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[885753a] | 101 | weight[4] = weight[1]; // du.imag |
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| 102 | weight[5] = weight[2]; // ud.imag |
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[a4280bd] | 103 | } |
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| 104 | |
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[9ee2756] | 105 | // Compute the magnetic sld |
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[2c108a3] | 106 | static double mag_sld( |
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[885753a] | 107 | const unsigned int xs, // 0=dd, 1=du.real, 2=ud.real, 3=uu, 4=du.imag, 5=ud.imag |
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[2c108a3] | 108 | const double qx, const double qy, |
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| 109 | const double px, const double py, |
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| 110 | const double sld, |
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| 111 | const double mx, const double my, const double mz |
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| 112 | ) |
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[a4280bd] | 113 | { |
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[2c108a3] | 114 | if (xs < 4) { |
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[a4280bd] | 115 | const double perp = qy*mx - qx*my; |
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[2c108a3] | 116 | switch (xs) { |
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[aadec17] | 117 | default: // keep compiler happy; condition ensures xs in [0,1,2,3] |
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[2c108a3] | 118 | case 0: // uu => sld - D M_perpx |
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| 119 | return sld - px*perp; |
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[885753a] | 120 | case 1: // ud.real => -D M_perpy |
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[2c108a3] | 121 | return py*perp; |
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[885753a] | 122 | case 2: // du.real => -D M_perpy |
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[2c108a3] | 123 | return py*perp; |
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[885753a] | 124 | case 3: // dd => sld + D M_perpx |
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[2c108a3] | 125 | return sld + px*perp; |
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| 126 | } |
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| 127 | } else { |
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| 128 | if (xs== 4) { |
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[885753a] | 129 | return -mz; // du.imag => +D M_perpz |
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[2c108a3] | 130 | } else { // index == 5 |
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[885753a] | 131 | return +mz; // ud.imag => -D M_perpz |
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[2c108a3] | 132 | } |
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| 133 | } |
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[32e3c9b] | 134 | } |
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[9ee2756] | 135 | |
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[2c108a3] | 136 | |
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[9ee2756] | 137 | #endif |
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| 138 | |
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| 139 | // ===== Helper functions for orientation and jitter ===== |
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| 140 | |
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[8698a0d] | 141 | // To change the definition of the angles, run explore/angles.py, which |
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| 142 | // uses sympy to generate the equations. |
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| 143 | |
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[9ee2756] | 144 | #if !defined(_QAC_SECTION) && defined(CALL_IQ_AC) |
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| 145 | #define _QAC_SECTION |
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| 146 | |
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| 147 | typedef struct { |
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| 148 | double R31, R32; |
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| 149 | } QACRotation; |
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| 150 | |
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| 151 | // Fill in the rotation matrix R from the view angles (theta, phi) and the |
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| 152 | // jitter angles (dtheta, dphi). This matrix can be applied to all of the |
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| 153 | // (qx, qy) points in the image to produce R*[qx,qy]' = [qa,qc]' |
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| 154 | static void |
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| 155 | qac_rotation( |
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| 156 | QACRotation *rotation, |
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| 157 | double theta, double phi, |
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| 158 | double dtheta, double dphi) |
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[8698a0d] | 159 | { |
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| 160 | double sin_theta, cos_theta; |
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| 161 | double sin_phi, cos_phi; |
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| 162 | |
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[9ee2756] | 163 | // reverse view matrix |
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[8698a0d] | 164 | SINCOS(theta*M_PI_180, sin_theta, cos_theta); |
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| 165 | SINCOS(phi*M_PI_180, sin_phi, cos_phi); |
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[9ee2756] | 166 | const double V11 = cos_phi*cos_theta; |
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| 167 | const double V12 = sin_phi*cos_theta; |
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| 168 | const double V21 = -sin_phi; |
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| 169 | const double V22 = cos_phi; |
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| 170 | const double V31 = sin_theta*cos_phi; |
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| 171 | const double V32 = sin_phi*sin_theta; |
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[8698a0d] | 172 | |
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[9ee2756] | 173 | // reverse jitter matrix |
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| 174 | SINCOS(dtheta*M_PI_180, sin_theta, cos_theta); |
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| 175 | SINCOS(dphi*M_PI_180, sin_phi, cos_phi); |
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| 176 | const double J31 = sin_theta; |
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| 177 | const double J32 = -sin_phi*cos_theta; |
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| 178 | const double J33 = cos_phi*cos_theta; |
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[8698a0d] | 179 | |
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[9ee2756] | 180 | // reverse matrix |
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| 181 | rotation->R31 = J31*V11 + J32*V21 + J33*V31; |
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| 182 | rotation->R32 = J31*V12 + J32*V22 + J33*V32; |
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[8698a0d] | 183 | } |
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| 184 | |
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[9ee2756] | 185 | // Apply the rotation matrix returned from qac_rotation to the point (qx,qy), |
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| 186 | // returning R*[qx,qy]' = [qa,qc]' |
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[d86f0fc] | 187 | static void |
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[9ee2756] | 188 | qac_apply( |
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[ec8d4ac] | 189 | QACRotation *rotation, |
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[9ee2756] | 190 | double qx, double qy, |
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| 191 | double *qa_out, double *qc_out) |
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[8698a0d] | 192 | { |
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[ec8d4ac] | 193 | const double dqc = rotation->R31*qx + rotation->R32*qy; |
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[9ee2756] | 194 | // Indirect calculation of qab, from qab^2 = |q|^2 - qc^2 |
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| 195 | const double dqa = sqrt(-dqc*dqc + qx*qx + qy*qy); |
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[8698a0d] | 196 | |
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[9ee2756] | 197 | *qa_out = dqa; |
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| 198 | *qc_out = dqc; |
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[8698a0d] | 199 | } |
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[9ee2756] | 200 | #endif // _QAC_SECTION |
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| 201 | |
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| 202 | #if !defined(_QABC_SECTION) && defined(CALL_IQ_ABC) |
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| 203 | #define _QABC_SECTION |
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| 204 | |
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| 205 | typedef struct { |
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| 206 | double R11, R12; |
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| 207 | double R21, R22; |
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| 208 | double R31, R32; |
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| 209 | } QABCRotation; |
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| 210 | |
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| 211 | // Fill in the rotation matrix R from the view angles (theta, phi, psi) and the |
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| 212 | // jitter angles (dtheta, dphi, dpsi). This matrix can be applied to all of the |
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| 213 | // (qx, qy) points in the image to produce R*[qx,qy]' = [qa,qb,qc]' |
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[8698a0d] | 214 | static void |
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[9ee2756] | 215 | qabc_rotation( |
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| 216 | QABCRotation *rotation, |
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[8698a0d] | 217 | double theta, double phi, double psi, |
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[9ee2756] | 218 | double dtheta, double dphi, double dpsi) |
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[8698a0d] | 219 | { |
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| 220 | double sin_theta, cos_theta; |
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| 221 | double sin_phi, cos_phi; |
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| 222 | double sin_psi, cos_psi; |
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| 223 | |
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| 224 | // reverse view matrix |
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| 225 | SINCOS(theta*M_PI_180, sin_theta, cos_theta); |
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| 226 | SINCOS(phi*M_PI_180, sin_phi, cos_phi); |
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| 227 | SINCOS(psi*M_PI_180, sin_psi, cos_psi); |
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[9ee2756] | 228 | const double V11 = -sin_phi*sin_psi + cos_phi*cos_psi*cos_theta; |
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| 229 | const double V12 = sin_phi*cos_psi*cos_theta + sin_psi*cos_phi; |
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| 230 | const double V21 = -sin_phi*cos_psi - sin_psi*cos_phi*cos_theta; |
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| 231 | const double V22 = -sin_phi*sin_psi*cos_theta + cos_phi*cos_psi; |
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[8698a0d] | 232 | const double V31 = sin_theta*cos_phi; |
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| 233 | const double V32 = sin_phi*sin_theta; |
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| 234 | |
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| 235 | // reverse jitter matrix |
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[9ee2756] | 236 | SINCOS(dtheta*M_PI_180, sin_theta, cos_theta); |
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| 237 | SINCOS(dphi*M_PI_180, sin_phi, cos_phi); |
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| 238 | SINCOS(dpsi*M_PI_180, sin_psi, cos_psi); |
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[8698a0d] | 239 | const double J11 = cos_psi*cos_theta; |
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[9ee2756] | 240 | const double J12 = sin_phi*sin_theta*cos_psi + sin_psi*cos_phi; |
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| 241 | const double J13 = sin_phi*sin_psi - sin_theta*cos_phi*cos_psi; |
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| 242 | const double J21 = -sin_psi*cos_theta; |
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| 243 | const double J22 = -sin_phi*sin_psi*sin_theta + cos_phi*cos_psi; |
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| 244 | const double J23 = sin_phi*cos_psi + sin_psi*sin_theta*cos_phi; |
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[8698a0d] | 245 | const double J31 = sin_theta; |
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| 246 | const double J32 = -sin_phi*cos_theta; |
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| 247 | const double J33 = cos_phi*cos_theta; |
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| 248 | |
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| 249 | // reverse matrix |
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[9ee2756] | 250 | rotation->R11 = J11*V11 + J12*V21 + J13*V31; |
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| 251 | rotation->R12 = J11*V12 + J12*V22 + J13*V32; |
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| 252 | rotation->R21 = J21*V11 + J22*V21 + J23*V31; |
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| 253 | rotation->R22 = J21*V12 + J22*V22 + J23*V32; |
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| 254 | rotation->R31 = J31*V11 + J32*V21 + J33*V31; |
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| 255 | rotation->R32 = J31*V12 + J32*V22 + J33*V32; |
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[8698a0d] | 256 | } |
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| 257 | |
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[9ee2756] | 258 | // Apply the rotation matrix returned from qabc_rotation to the point (qx,qy), |
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| 259 | // returning R*[qx,qy]' = [qa,qb,qc]' |
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[d86f0fc] | 260 | static void |
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[9ee2756] | 261 | qabc_apply( |
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[ec8d4ac] | 262 | QABCRotation *rotation, |
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[9ee2756] | 263 | double qx, double qy, |
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| 264 | double *qa_out, double *qb_out, double *qc_out) |
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[8698a0d] | 265 | { |
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[ec8d4ac] | 266 | *qa_out = rotation->R11*qx + rotation->R12*qy; |
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| 267 | *qb_out = rotation->R21*qx + rotation->R22*qy; |
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| 268 | *qc_out = rotation->R31*qx + rotation->R32*qy; |
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[8698a0d] | 269 | } |
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| 270 | |
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[9ee2756] | 271 | #endif // _QABC_SECTION |
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| 272 | |
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| 273 | // ==================== KERNEL CODE ======================== |
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[03cac08] | 274 | kernel |
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| 275 | void KERNEL_NAME( |
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[5cf3c33] | 276 | int32_t nq, // number of q values |
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[2c108a3] | 277 | const int32_t pd_start, // where we are in the dispersity loop |
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| 278 | const int32_t pd_stop, // where we are stopping in the dispersity loop |
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[6e7ff6d] | 279 | global const ProblemDetails *details, |
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[9eb3632] | 280 | global const double *values, |
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[2e44ac7] | 281 | global const double *q, // nq q values, with padding to boundary |
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[9eb3632] | 282 | global double *result, // nq+1 return values, again with padding |
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[2c108a3] | 283 | const double cutoff // cutoff in the dispersity weight product |
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[2e44ac7] | 284 | ) |
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| 285 | { |
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[9ee2756] | 286 | #ifdef USE_OPENCL |
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| 287 | // who we are and what element we are working with |
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| 288 | const int q_index = get_global_id(0); |
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| 289 | if (q_index >= nq) return; |
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| 290 | #else |
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| 291 | // Define q_index here so that debugging statements can be written to work |
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| 292 | // for both OpenCL and DLL using: |
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| 293 | // if (q_index == 0) {printf(...);} |
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| 294 | int q_index = 0; |
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| 295 | #endif |
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| 296 | |
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[6aee3ab] | 297 | // ** Fill in the local values table ** |
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| 298 | // Storage for the current parameter values. |
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| 299 | // These will be updated as we walk the dispersity mesh. |
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[9eb3632] | 300 | ParameterBlock local_values; |
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[6aee3ab] | 301 | // values[0] is scale |
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| 302 | // values[1] is background |
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| 303 | #ifdef USE_OPENMP |
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| 304 | #pragma omp parallel for |
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| 305 | #endif |
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| 306 | for (int i=0; i < NUM_PARS; i++) { |
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| 307 | local_values.vector[i] = values[2+i]; |
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| 308 | //if (q_index==0) printf("p%d = %g\n",i, local_values.vector[i]); |
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| 309 | } |
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| 310 | //if (q_index==0) printf("NUM_VALUES:%d NUM_PARS:%d MAX_PD:%d\n", NUM_VALUES, NUM_PARS, MAX_PD); |
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| 311 | //if (q_index==0) printf("start:%d stop:%d\n", pd_start, pd_stop); |
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[2e44ac7] | 312 | |
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[6aee3ab] | 313 | // ** Precompute magnatism values ** |
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[a4280bd] | 314 | #if defined(MAGNETIC) && NUM_MAGNETIC>0 |
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[bde38b5] | 315 | // Location of the sld parameters in the parameter vector. |
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[9eb3632] | 316 | // These parameters are updated with the effective sld due to magnetism. |
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| 317 | const int32_t slds[] = { MAGNETIC_PARS }; |
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[32e3c9b] | 318 | |
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| 319 | // Interpret polarization cross section. |
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[a4280bd] | 320 | // up_frac_i = values[NUM_PARS+2]; |
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| 321 | // up_frac_f = values[NUM_PARS+3]; |
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| 322 | // up_angle = values[NUM_PARS+4]; |
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[9ee2756] | 323 | // TODO: could precompute more magnetism parameters before calling the kernel. |
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[885753a] | 324 | double xs_weights[8]; // uu, ud real, du real, dd, ud imag, du imag, fill, fill |
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[32e3c9b] | 325 | double cos_mspin, sin_mspin; |
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[885753a] | 326 | set_spin_weights(values[NUM_PARS+2], values[NUM_PARS+3], xs_weights); |
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[a4280bd] | 327 | SINCOS(-values[NUM_PARS+4]*M_PI_180, sin_mspin, cos_mspin); |
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[9eb3632] | 328 | #endif // MAGNETIC |
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[3044216] | 329 | |
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[6aee3ab] | 330 | // ** Fill in the initial results ** |
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[9ee2756] | 331 | // If pd_start is zero that means that we are starting a new calculation, |
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| 332 | // and must initialize the result to zero. Otherwise, we are restarting |
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| 333 | // the calculation from somewhere in the middle of the dispersity mesh, |
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| 334 | // and we update the value rather than reset it. Similarly for the |
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| 335 | // normalization factor, which is stored as the final value in the |
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| 336 | // results vector (one past the number of q values). |
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| 337 | // |
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| 338 | // The code differs slightly between opencl and dll since opencl is only |
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| 339 | // seeing one q value (stored in the variable "this_result") while the dll |
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[01c8d9e] | 340 | // version must loop over all q |
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| 341 | #if BETA |
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| 342 | double *beta_result = &(result[nq+1]); // = result + nq + 1 |
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| 343 | double weight_norm = (pd_start == 0 ? 0.0 : result[2*nq+1]); |
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| 344 | #endif |
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[9ee2756] | 345 | #ifdef USE_OPENCL |
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| 346 | double pd_norm = (pd_start == 0 ? 0.0 : result[nq]); |
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| 347 | double this_result = (pd_start == 0 ? 0.0 : result[q_index]); |
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[01c8d9e] | 348 | #if BETA |
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| 349 | double this_beta_result = (pd_start == 0 ? 0.0 : result[nq + q_index]; |
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[9ee2756] | 350 | #else // !USE_OPENCL |
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[01c8d9e] | 351 | double pd_norm = (pd_start == 0 ? 0.0 : result[nq]); |
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[9ee2756] | 352 | if (pd_start == 0) { |
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| 353 | #ifdef USE_OPENMP |
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| 354 | #pragma omp parallel for |
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| 355 | #endif |
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| 356 | for (int q_index=0; q_index < nq; q_index++) result[q_index] = 0.0; |
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[01c8d9e] | 357 | #if BETA |
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| 358 | for (int q_index=0; q_index < nq; q_index++) beta_result[q_index] = 0.0; |
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| 359 | #endif |
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[9ee2756] | 360 | } |
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[6aee3ab] | 361 | //if (q_index==0) printf("start %d %g %g\n", pd_start, pd_norm, result[0]); |
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[9ee2756] | 362 | #endif // !USE_OPENCL |
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| 363 | |
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| 364 | |
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[01c8d9e] | 365 | |
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| 366 | |
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| 367 | |
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[9ee2756] | 368 | // ====== macros to set up the parts of the loop ======= |
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| 369 | /* |
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| 370 | Based on the level of the loop, uses C preprocessor magic to construct |
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| 371 | level-specific looping variables, including these from loop level 3: |
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| 372 | |
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| 373 | int n3 : length of loop for mesh level 3 |
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| 374 | int i3 : current position in the loop for level 3, which is calculated |
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| 375 | from a combination of pd_start, pd_stride[3] and pd_length[3]. |
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| 376 | int p3 : is the index into the parameter table for mesh level 3 |
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| 377 | double v3[] : pointer into dispersity array to values for loop 3 |
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| 378 | double w3[] : pointer into dispersity array to weights for loop 3 |
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| 379 | double weight3 : the product of weights from levels 3 and up, computed |
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| 380 | as weight5*weight4*w3[i3]. Note that we need an outermost |
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| 381 | value weight5 set to 1.0 for this to work properly. |
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| 382 | |
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| 383 | After expansion, the loop struction will look like the following: |
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| 384 | |
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| 385 | // --- PD_INIT(4) --- |
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| 386 | const int n4 = pd_length[4]; |
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| 387 | const int p4 = pd_par[4]; |
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| 388 | global const double *v4 = pd_value + pd_offset[4]; |
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| 389 | global const double *w4 = pd_weight + pd_offset[4]; |
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| 390 | int i4 = (pd_start/pd_stride[4])%n4; // position in level 4 at pd_start |
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| 391 | |
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| 392 | // --- PD_INIT(3) --- |
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| 393 | const int n3 = pd_length[3]; |
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| 394 | ... |
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| 395 | int i3 = (pd_start/pd_stride[3])%n3; // position in level 3 at pd_start |
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| 396 | |
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| 397 | PD_INIT(2) |
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| 398 | PD_INIT(1) |
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| 399 | PD_INIT(0) |
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| 400 | |
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| 401 | // --- PD_OUTERMOST_WEIGHT(5) --- |
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| 402 | const double weight5 = 1.0; |
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| 403 | |
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| 404 | // --- PD_OPEN(4,5) --- |
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| 405 | while (i4 < n4) { |
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| 406 | parameter[p4] = v4[i4]; // set the value for pd parameter 4 at this mesh point |
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| 407 | const double weight4 = w4[i4] * weight5; |
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| 408 | |
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| 409 | // from PD_OPEN(3,4) |
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| 410 | while (i3 < n3) { |
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| 411 | parameter[p3] = v3[i3]; // set the value for pd parameter 3 at this mesh point |
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| 412 | const double weight3 = w3[i3] * weight4; |
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| 413 | |
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| 414 | PD_OPEN(3,2) |
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| 415 | PD_OPEN(2,1) |
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| 416 | PD_OPEN(0,1) |
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| 417 | |
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[6aee3ab] | 418 | // ... main loop body ... |
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| 419 | APPLY_PROJECTION // convert jitter values to spherical coords |
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| 420 | BUILD_ROTATION // construct the rotation matrix qxy => qabc |
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| 421 | for each q |
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| 422 | FETCH_Q // set qx,qy from the q input vector |
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| 423 | APPLY_ROTATION // convert qx,qy to qa,qb,qc |
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| 424 | CALL_KERNEL // scattering = Iqxy(qa, qb, qc, p1, p2, ...) |
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[9ee2756] | 425 | |
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| 426 | ++step; // increment counter representing position in dispersity mesh |
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| 427 | |
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| 428 | PD_CLOSE(0) |
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| 429 | PD_CLOSE(1) |
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| 430 | PD_CLOSE(2) |
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| 431 | |
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| 432 | // --- PD_CLOSE(3) --- |
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| 433 | if (step >= pd_stop) break; |
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| 434 | ++i3; |
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| 435 | } |
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| 436 | i3 = 0; // reset loop counter for next round through the loop |
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| 437 | |
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| 438 | // --- PD_CLOSE(4) --- |
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| 439 | if (step >= pd_stop) break; |
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| 440 | ++i4; |
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[2e44ac7] | 441 | } |
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[9ee2756] | 442 | i4 = 0; // reset loop counter even though no more rounds through the loop |
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| 443 | |
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| 444 | */ |
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| 445 | |
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| 446 | |
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[6aee3ab] | 447 | // ** prepare inner loops ** |
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[9ee2756] | 448 | |
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| 449 | // Depending on the shape type (radial, axial, triaxial), the variables |
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[6aee3ab] | 450 | // and calling parameters in the loop body will be slightly different. |
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| 451 | // Macros capture the differences in one spot so the rest of the code |
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| 452 | // is easier to read. The code below both declares variables for the |
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| 453 | // inner loop and defines the macros that use them. |
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[ff10479] | 454 | |
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[01c8d9e] | 455 | |
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[9ee2756] | 456 | #if defined(CALL_IQ) |
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| 457 | // unoriented 1D |
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| 458 | double qk; |
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[01c8d9e] | 459 | #if BETA == 0 |
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| 460 | #define FETCH_Q() do { qk = q[q_index]; } while (0) |
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| 461 | #define BUILD_ROTATION() do {} while(0) |
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| 462 | #define APPLY_ROTATION() do {} while(0) |
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| 463 | #define CALL_KERNEL() CALL_IQ(qk,local_values.table) |
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| 464 | |
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| 465 | // unoriented 1D Beta |
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| 466 | #elif BETA == 1 |
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| 467 | double F1, F2; |
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| 468 | #define FETCH_Q() do { qk = q[q_index]; } while (0) |
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| 469 | #define BUILD_ROTATION() do {} while(0) |
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| 470 | #define APPLY_ROTATION() do {} while(0) |
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| 471 | #define CALL_KERNEL() CALL_IQ(qk,F1,F2,local_values.table) |
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| 472 | #endif |
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[9ee2756] | 473 | |
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| 474 | #elif defined(CALL_IQ_A) |
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| 475 | // unoriented 2D |
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| 476 | double qx, qy; |
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[2c108a3] | 477 | #define FETCH_Q() do { qx = q[2*q_index]; qy = q[2*q_index+1]; } while (0) |
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| 478 | #define BUILD_ROTATION() do {} while(0) |
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| 479 | #define APPLY_ROTATION() do {} while(0) |
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| 480 | #define CALL_KERNEL() CALL_IQ_A(sqrt(qx*qx+qy*qy), local_values.table) |
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[9ee2756] | 481 | |
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| 482 | #elif defined(CALL_IQ_AC) |
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| 483 | // oriented symmetric 2D |
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| 484 | double qx, qy; |
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[2c108a3] | 485 | #define FETCH_Q() do { qx = q[2*q_index]; qy = q[2*q_index+1]; } while (0) |
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[9ee2756] | 486 | double qa, qc; |
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| 487 | QACRotation rotation; |
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[ff10479] | 488 | // theta, phi, dtheta, dphi are defined below in projection to avoid repeated code. |
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[767dca8] | 489 | #define BUILD_ROTATION() qac_rotation(&rotation, theta, phi, dtheta, dphi); |
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[ec8d4ac] | 490 | #define APPLY_ROTATION() qac_apply(&rotation, qx, qy, &qa, &qc) |
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[2c108a3] | 491 | #define CALL_KERNEL() CALL_IQ_AC(qa, qc, local_values.table) |
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[9ee2756] | 492 | |
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| 493 | #elif defined(CALL_IQ_ABC) |
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| 494 | // oriented asymmetric 2D |
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| 495 | double qx, qy; |
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[2c108a3] | 496 | #define FETCH_Q() do { qx = q[2*q_index]; qy = q[2*q_index+1]; } while (0) |
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[9ee2756] | 497 | double qa, qb, qc; |
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| 498 | QABCRotation rotation; |
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[ff10479] | 499 | // theta, phi, dtheta, dphi are defined below in projection to avoid repeated code. |
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| 500 | // psi and dpsi are only for IQ_ABC, so they are processed here. |
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| 501 | const double psi = values[details->theta_par+4]; |
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[6aee3ab] | 502 | local_values.table.psi = 0.; |
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[ff10479] | 503 | #define BUILD_ROTATION() qabc_rotation(&rotation, theta, phi, psi, dtheta, dphi, local_values.table.psi) |
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[ec8d4ac] | 504 | #define APPLY_ROTATION() qabc_apply(&rotation, qx, qy, &qa, &qb, &qc) |
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[ff10479] | 505 | #define CALL_KERNEL() CALL_IQ_ABC(qa, qb, qc, local_values.table) |
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[108e70e] | 506 | #elif defined(CALL_IQ_XY) |
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| 507 | // direct call to qx,qy calculator |
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| 508 | double qx, qy; |
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| 509 | #define FETCH_Q() do { qx = q[2*q_index]; qy = q[2*q_index+1]; } while (0) |
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| 510 | #define BUILD_ROTATION() do {} while(0) |
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| 511 | #define APPLY_ROTATION() do {} while(0) |
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| 512 | #define CALL_KERNEL() CALL_IQ_XY(qx, qy, local_values.table) |
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[ff10479] | 513 | #endif |
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| 514 | |
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[2a7e20e] | 515 | // Define APPLY_PROJECTION depending on model symmetries. We do this outside |
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| 516 | // the previous if block so that we don't need to repeat the identical |
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| 517 | // logic in the IQ_AC and IQ_ABC branches. This will become more important |
---|
| 518 | // if we implement more projections, or more complicated projections. |
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| 519 | #if defined(CALL_IQ) || defined(CALL_IQ_A) // no orientation |
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[ff10479] | 520 | #define APPLY_PROJECTION() const double weight=weight0 |
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[2a7e20e] | 521 | #elif defined(CALL_IQ_XY) // pass orientation to the model |
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[108e70e] | 522 | // CRUFT: support oriented model which define Iqxy rather than Iqac or Iqabc |
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| 523 | // Need to plug the values for the orientation angles back into parameter |
---|
| 524 | // table in case they were overridden by the orientation offset. This |
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| 525 | // means that orientation dispersity will not work for these models, but |
---|
| 526 | // it was broken anyway, so no matter. Still want to provide Iqxy in case |
---|
| 527 | // the user model wants full control of orientation/magnetism. |
---|
| 528 | #if defined(HAVE_PSI) |
---|
| 529 | const double theta = values[details->theta_par+2]; |
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| 530 | const double phi = values[details->theta_par+3]; |
---|
| 531 | const double psi = values[details->theta_par+4]; |
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| 532 | double weight; |
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| 533 | #define APPLY_PROJECTION() do { \ |
---|
| 534 | local_values.table.theta = theta; \ |
---|
| 535 | local_values.table.phi = phi; \ |
---|
| 536 | local_values.table.psi = psi; \ |
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| 537 | weight=weight0; \ |
---|
| 538 | } while (0) |
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| 539 | #elif defined(HAVE_THETA) |
---|
| 540 | const double theta = values[details->theta_par+2]; |
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| 541 | const double phi = values[details->theta_par+3]; |
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| 542 | double weight; |
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| 543 | #define APPLY_PROJECTION() do { \ |
---|
| 544 | local_values.table.theta = theta; \ |
---|
| 545 | local_values.table.phi = phi; \ |
---|
| 546 | weight=weight0; \ |
---|
| 547 | } while (0) |
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| 548 | #else |
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| 549 | #define APPLY_PROJECTION() const double weight=weight0 |
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| 550 | #endif |
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[2a7e20e] | 551 | #else // apply jitter and view before calling the model |
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[9ee2756] | 552 | // Grab the "view" angles (theta, phi, psi) from the initial parameter table. |
---|
| 553 | const double theta = values[details->theta_par+2]; |
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| 554 | const double phi = values[details->theta_par+3]; |
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[6aee3ab] | 555 | // Make sure jitter angle defaults to zero if there is no jitter distribution |
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| 556 | local_values.table.theta = 0.; |
---|
| 557 | local_values.table.phi = 0.; |
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[ff10479] | 558 | // The "jitter" angles (dtheta, dphi, dpsi) are stored with the |
---|
| 559 | // dispersity values and copied to the local parameter table as |
---|
| 560 | // we go through the mesh. |
---|
| 561 | double dtheta, dphi, weight; |
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[2a7e20e] | 562 | #if PROJECTION == 1 // equirectangular |
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[ff10479] | 563 | #define APPLY_PROJECTION() do { \ |
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[767dca8] | 564 | dtheta = local_values.table.theta; \ |
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| 565 | dphi = local_values.table.phi; \ |
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[ff10479] | 566 | weight = fabs(cos(dtheta*M_PI_180)) * weight0; \ |
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[767dca8] | 567 | } while (0) |
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[2a7e20e] | 568 | #elif PROJECTION == 2 // sinusoidal |
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[ff10479] | 569 | #define APPLY_PROJECTION() do { \ |
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[767dca8] | 570 | dtheta = local_values.table.theta; \ |
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| 571 | dphi = local_values.table.phi; \ |
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[ff10479] | 572 | weight = weight0; \ |
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| 573 | if (dtheta != 90.0) dphi /= cos(dtheta*M_PI_180); \ |
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| 574 | else if (dphi != 0.0) weight = 0.; \ |
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| 575 | if (fabs(dphi) >= 180.) weight = 0.; \ |
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[767dca8] | 576 | } while (0) |
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| 577 | #endif |
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[2a7e20e] | 578 | #endif // done defining APPLY_PROJECTION |
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[9ee2756] | 579 | |
---|
[6aee3ab] | 580 | // ** define looping macros ** |
---|
| 581 | |
---|
| 582 | // Define looping variables |
---|
| 583 | #define PD_INIT(_LOOP) \ |
---|
| 584 | const int n##_LOOP = details->pd_length[_LOOP]; \ |
---|
| 585 | const int p##_LOOP = details->pd_par[_LOOP]; \ |
---|
| 586 | global const double *v##_LOOP = pd_value + details->pd_offset[_LOOP]; \ |
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| 587 | global const double *w##_LOOP = pd_weight + details->pd_offset[_LOOP]; \ |
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| 588 | int i##_LOOP = (pd_start/details->pd_stride[_LOOP])%n##_LOOP; |
---|
| 589 | |
---|
| 590 | // Jump into the middle of the dispersity loop |
---|
| 591 | #define PD_OPEN(_LOOP,_OUTER) \ |
---|
| 592 | while (i##_LOOP < n##_LOOP) { \ |
---|
| 593 | local_values.vector[p##_LOOP] = v##_LOOP[i##_LOOP]; \ |
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| 594 | const double weight##_LOOP = w##_LOOP[i##_LOOP] * weight##_OUTER; |
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| 595 | |
---|
| 596 | // create the variable "weight#=1.0" where # is the outermost level+1 (=MAX_PD). |
---|
| 597 | #define _PD_OUTERMOST_WEIGHT(_n) const double weight##_n = 1.0; |
---|
| 598 | #define PD_OUTERMOST_WEIGHT(_n) _PD_OUTERMOST_WEIGHT(_n) |
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| 599 | |
---|
| 600 | // Close out the loop |
---|
| 601 | #define PD_CLOSE(_LOOP) \ |
---|
| 602 | if (step >= pd_stop) break; \ |
---|
| 603 | ++i##_LOOP; \ |
---|
| 604 | } \ |
---|
| 605 | i##_LOOP = 0; |
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[9eb3632] | 606 | |
---|
[9ee2756] | 607 | // ====== construct the loops ======= |
---|
| 608 | |
---|
| 609 | // Pointers to the start of the dispersity and weight vectors, if needed. |
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[7b7da6b] | 610 | #if MAX_PD>0 |
---|
[bde38b5] | 611 | global const double *pd_value = values + NUM_VALUES; |
---|
| 612 | global const double *pd_weight = pd_value + details->num_weights; |
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[7b7da6b] | 613 | #endif |
---|
[9eb3632] | 614 | |
---|
[9ee2756] | 615 | // The variable "step" is the current position in the dispersity loop. |
---|
| 616 | // It will be incremented each time a new point in the mesh is accumulated, |
---|
| 617 | // and used to test whether we have reached pd_stop. |
---|
| 618 | int step = pd_start; |
---|
| 619 | |
---|
[6aee3ab] | 620 | // *** define loops for each of 0, 1, 2, ..., modelinfo.MAX_PD-1 *** |
---|
| 621 | |
---|
[9ee2756] | 622 | // define looping variables |
---|
[9eb3632] | 623 | #if MAX_PD>4 |
---|
[9ee2756] | 624 | PD_INIT(4) |
---|
[9eb3632] | 625 | #endif |
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| 626 | #if MAX_PD>3 |
---|
[9ee2756] | 627 | PD_INIT(3) |
---|
[9eb3632] | 628 | #endif |
---|
| 629 | #if MAX_PD>2 |
---|
[9ee2756] | 630 | PD_INIT(2) |
---|
[9eb3632] | 631 | #endif |
---|
| 632 | #if MAX_PD>1 |
---|
[9ee2756] | 633 | PD_INIT(1) |
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[9eb3632] | 634 | #endif |
---|
| 635 | #if MAX_PD>0 |
---|
[9ee2756] | 636 | PD_INIT(0) |
---|
[9eb3632] | 637 | #endif |
---|
[2e44ac7] | 638 | |
---|
[9ee2756] | 639 | // open nested loops |
---|
| 640 | PD_OUTERMOST_WEIGHT(MAX_PD) |
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[9eb3632] | 641 | #if MAX_PD>4 |
---|
[9ee2756] | 642 | PD_OPEN(4,5) |
---|
[9eb3632] | 643 | #endif |
---|
| 644 | #if MAX_PD>3 |
---|
[9ee2756] | 645 | PD_OPEN(3,4) |
---|
[9eb3632] | 646 | #endif |
---|
| 647 | #if MAX_PD>2 |
---|
[9ee2756] | 648 | PD_OPEN(2,3) |
---|
[9eb3632] | 649 | #endif |
---|
| 650 | #if MAX_PD>1 |
---|
[9ee2756] | 651 | PD_OPEN(1,2) |
---|
[9eb3632] | 652 | #endif |
---|
| 653 | #if MAX_PD>0 |
---|
[9ee2756] | 654 | PD_OPEN(0,1) |
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[9eb3632] | 655 | #endif |
---|
[5ff1b03] | 656 | |
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[9ee2756] | 657 | //if (q_index==0) {printf("step:%d of %d, pars:",step,pd_stop); for (int i=0; i < NUM_PARS; i++) printf("p%d=%g ",i, local_values.vector[i]); printf("\n");} |
---|
| 658 | |
---|
| 659 | // ====== loop body ======= |
---|
| 660 | #ifdef INVALID |
---|
| 661 | if (!INVALID(local_values.table)) |
---|
| 662 | #endif |
---|
| 663 | { |
---|
[ff10479] | 664 | APPLY_PROJECTION(); |
---|
| 665 | |
---|
[9ee2756] | 666 | // Accumulate I(q) |
---|
| 667 | // Note: weight==0 must always be excluded |
---|
[767dca8] | 668 | if (weight > cutoff) { |
---|
| 669 | pd_norm += weight * CALL_VOLUME(local_values.table); |
---|
[2c108a3] | 670 | BUILD_ROTATION(); |
---|
[01c8d9e] | 671 | #if BETA |
---|
| 672 | if (weight > cutoff) { |
---|
| 673 | weight_norm += weight;} |
---|
| 674 | #endif |
---|
[9ee2756] | 675 | #ifndef USE_OPENCL |
---|
| 676 | // DLL needs to explicitly loop over the q values. |
---|
| 677 | #ifdef USE_OPENMP |
---|
| 678 | #pragma omp parallel for |
---|
| 679 | #endif |
---|
| 680 | for (q_index=0; q_index<nq; q_index++) |
---|
| 681 | #endif // !USE_OPENCL |
---|
| 682 | { |
---|
| 683 | |
---|
[2c108a3] | 684 | FETCH_Q(); |
---|
| 685 | APPLY_ROTATION(); |
---|
[9ee2756] | 686 | |
---|
| 687 | // ======= COMPUTE SCATTERING ========== |
---|
| 688 | #if defined(MAGNETIC) && NUM_MAGNETIC > 0 |
---|
[2c108a3] | 689 | // Compute the scattering from the magnetic cross sections. |
---|
| 690 | double scattering = 0.0; |
---|
| 691 | const double qsq = qx*qx + qy*qy; |
---|
| 692 | if (qsq > 1.e-16) { |
---|
| 693 | // TODO: what is the magnetic scattering at q=0 |
---|
| 694 | const double px = (qy*cos_mspin + qx*sin_mspin)/qsq; |
---|
| 695 | const double py = (qy*sin_mspin - qx*cos_mspin)/qsq; |
---|
| 696 | |
---|
| 697 | // loop over uu, ud real, du real, dd, ud imag, du imag |
---|
[aadec17] | 698 | for (unsigned int xs=0; xs<6; xs++) { |
---|
[885753a] | 699 | const double xs_weight = xs_weights[xs]; |
---|
[2c108a3] | 700 | if (xs_weight > 1.e-8) { |
---|
| 701 | // Since the cross section weight is significant, set the slds |
---|
| 702 | // to the effective slds for this cross section, call the |
---|
| 703 | // kernel, and add according to weight. |
---|
| 704 | for (int sk=0; sk<NUM_MAGNETIC; sk++) { |
---|
| 705 | const int32_t mag_index = NUM_PARS+5 + 3*sk; |
---|
| 706 | const int32_t sld_index = slds[sk]; |
---|
| 707 | const double mx = values[mag_index]; |
---|
| 708 | const double my = values[mag_index+1]; |
---|
| 709 | const double mz = values[mag_index+2]; |
---|
| 710 | local_values.vector[sld_index] = |
---|
| 711 | mag_sld(xs, qx, qy, px, py, values[sld_index+2], mx, my, mz); |
---|
[885753a] | 712 | //if (q_index==0) printf("%d: (qx,qy)=(%g,%g) xs=%d sld%d=%g p=(%g,%g) m=(%g,%g,%g)\n", |
---|
[dc6f601] | 713 | // q_index, qx, qy, xs, sk, local_values.vector[sld_index], px, py, mx, my, mz); |
---|
[2c108a3] | 714 | } |
---|
| 715 | scattering += xs_weight * CALL_KERNEL(); |
---|
[a4280bd] | 716 | } |
---|
[9eb3632] | 717 | } |
---|
[32e3c9b] | 718 | } |
---|
[9ee2756] | 719 | #else // !MAGNETIC |
---|
[01c8d9e] | 720 | #if defined(CALL_IQ) && BETA == 1 |
---|
| 721 | CALL_KERNEL(); |
---|
| 722 | const double scatteringF1 = F1; |
---|
| 723 | const double scatteringF2 = F2; |
---|
| 724 | #else |
---|
| 725 | const double scattering = CALL_KERNEL(); |
---|
| 726 | #endif |
---|
[9ee2756] | 727 | #endif // !MAGNETIC |
---|
[767dca8] | 728 | //printf("q_index:%d %g %g %g %g\n", q_index, scattering, weight0); |
---|
[9ee2756] | 729 | |
---|
| 730 | #ifdef USE_OPENCL |
---|
[01c8d9e] | 731 | #if defined(CALL_IQ)&& BETA == 1 |
---|
| 732 | this_result += weight * scatteringF2; |
---|
| 733 | this_beta_result += weight * scatteringF1; |
---|
| 734 | #else |
---|
| 735 | this_result += weight * scattering; |
---|
| 736 | #endif |
---|
[9ee2756] | 737 | #else // !USE_OPENCL |
---|
[01c8d9e] | 738 | #if defined(CALL_IQ)&& BETA == 1 |
---|
| 739 | result[q_index] += weight * scatteringF2; |
---|
| 740 | beta_result[q_index] += weight * scatteringF1; |
---|
| 741 | #endif |
---|
| 742 | #else |
---|
| 743 | result[q_index] += weight * scattering; |
---|
| 744 | #endif |
---|
[9ee2756] | 745 | #endif // !USE_OPENCL |
---|
[3044216] | 746 | } |
---|
[03cac08] | 747 | } |
---|
[2e44ac7] | 748 | } |
---|
[9ee2756] | 749 | // close nested loops |
---|
| 750 | ++step; |
---|
| 751 | #if MAX_PD>0 |
---|
| 752 | PD_CLOSE(0) |
---|
[9eb3632] | 753 | #endif |
---|
| 754 | #if MAX_PD>1 |
---|
[9ee2756] | 755 | PD_CLOSE(1) |
---|
[9eb3632] | 756 | #endif |
---|
| 757 | #if MAX_PD>2 |
---|
[9ee2756] | 758 | PD_CLOSE(2) |
---|
[9eb3632] | 759 | #endif |
---|
| 760 | #if MAX_PD>3 |
---|
[9ee2756] | 761 | PD_CLOSE(3) |
---|
[9eb3632] | 762 | #endif |
---|
| 763 | #if MAX_PD>4 |
---|
[9ee2756] | 764 | PD_CLOSE(4) |
---|
[9eb3632] | 765 | #endif |
---|
[f2f67a6] | 766 | |
---|
[9ee2756] | 767 | // Remember the current result and the updated norm. |
---|
| 768 | #ifdef USE_OPENCL |
---|
| 769 | result[q_index] = this_result; |
---|
| 770 | if (q_index == 0) result[nq] = pd_norm; |
---|
[01c8d9e] | 771 | #if BETA |
---|
| 772 | beta_result[q_index] = this_beta_result; |
---|
| 773 | #endif |
---|
| 774 | if (q_index == 0) result[nq] = pd_norm; |
---|
| 775 | |
---|
[9ee2756] | 776 | //if (q_index == 0) printf("res: %g/%g\n", result[0], pd_norm); |
---|
| 777 | #else // !USE_OPENCL |
---|
[a738209] | 778 | result[nq] = pd_norm; |
---|
[01c8d9e] | 779 | #if BETA |
---|
| 780 | result[2*nq+1] = weight_norm; |
---|
| 781 | #endif |
---|
[9ee2756] | 782 | //printf("res: %g/%g\n", result[0], pd_norm); |
---|
| 783 | #endif // !USE_OPENCL |
---|
[2c108a3] | 784 | |
---|
[6aee3ab] | 785 | // ** clear the macros in preparation for the next kernel ** |
---|
[2c108a3] | 786 | #undef PD_INIT |
---|
| 787 | #undef PD_OPEN |
---|
| 788 | #undef PD_CLOSE |
---|
| 789 | #undef FETCH_Q |
---|
[ff10479] | 790 | #undef APPLY_PROJECTION |
---|
[2c108a3] | 791 | #undef BUILD_ROTATION |
---|
| 792 | #undef APPLY_ROTATION |
---|
| 793 | #undef CALL_KERNEL |
---|
[2e44ac7] | 794 | } |
---|