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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13 | // NOTE: the following macros are defined in generate.py: |
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14 | // |
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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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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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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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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(form, shell, table) : assign form and shell values |
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29 | // CALL_EFFECTIVE_RADIUS(type, table) : call the R_eff function |
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30 | // CALL_IQ(q, table) : call the Iq function for 1D calcs. |
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31 | // CALL_IQ_A(q, table) : call the Iq function with |q| for 2D data. |
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32 | // CALL_FQ(q, F1, F2, table) : call the Fq function for 1D calcs. |
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33 | // CALL_FQ_A(q, F1, F2, table) : call the Iq function with |q| for 2D data. |
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34 | // CALL_IQ_AC(qa, qc, table) : call the Iqxy function for symmetric shapes |
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35 | // CALL_IQ_ABC(qa, qc, table) : call the Iqxy function for asymmetric shapes |
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36 | // CALL_IQ_XY(qx, qy, table) : call the Iqxy function for arbitrary models |
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37 | // INVALID(table) : test if the current point is feesible to calculate. This |
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38 | // will be defined in the kernel definition file. |
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39 | // PROJECTION : equirectangular=1, sinusoidal=2 |
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40 | // see explore/jitter.py for definitions. |
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41 | |
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42 | |
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43 | #ifndef _PAR_BLOCK_ // protected block so we can include this code twice. |
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44 | #define _PAR_BLOCK_ |
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45 | |
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46 | typedef struct { |
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47 | #if MAX_PD > 0 |
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48 | int32_t pd_par[MAX_PD]; // id of the nth dispersity variable |
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49 | int32_t pd_length[MAX_PD]; // length of the nth dispersity weight vector |
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50 | int32_t pd_offset[MAX_PD]; // offset of pd weights in the value & weight vector |
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51 | int32_t pd_stride[MAX_PD]; // stride to move to the next index at this level |
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52 | #endif // MAX_PD > 0 |
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53 | int32_t num_eval; // total number of voxels in hypercube |
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54 | int32_t num_weights; // total length of the weights vector |
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55 | int32_t num_active; // number of non-trivial pd loops |
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56 | int32_t theta_par; // id of first orientation variable |
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57 | } ProblemDetails; |
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58 | |
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59 | // Intel HD 4000 needs private arrays to be a multiple of 4 long |
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60 | typedef struct { |
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61 | PARAMETER_TABLE |
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62 | } ParameterTable; |
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63 | typedef union { |
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64 | ParameterTable table; |
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65 | double vector[4*((NUM_PARS+3)/4)]; |
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66 | } ParameterBlock; |
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67 | #endif // _PAR_BLOCK_ |
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68 | |
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69 | #if defined(MAGNETIC) && NUM_MAGNETIC > 0 |
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70 | // ===== Helper functions for magnetism ===== |
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71 | |
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72 | // Return value restricted between low and high |
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73 | static double clip(double value, double low, double high) |
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74 | { |
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75 | return (value < low ? low : (value > high ? high : value)); |
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76 | } |
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77 | |
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78 | // Compute spin cross sections given in_spin and out_spin |
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79 | // To convert spin cross sections to sld b: |
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80 | // uu * (sld - m_sigma_x); |
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81 | // dd * (sld + m_sigma_x); |
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82 | // ud * (m_sigma_y - 1j*m_sigma_z); |
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83 | // du * (m_sigma_y + 1j*m_sigma_z); |
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84 | // weights for spin crosssections: dd du real, ud real, uu, du imag, ud imag |
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85 | static void set_spin_weights(double in_spin, double out_spin, double weight[6]) |
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86 | { |
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87 | in_spin = clip(in_spin, 0.0, 1.0); |
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88 | out_spin = clip(out_spin, 0.0, 1.0); |
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89 | // Previous version of this function took the square root of the weights, |
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90 | // under the assumption that |
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91 | // |
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92 | // w*I(q, rho1, rho2, ...) = I(q, sqrt(w)*rho1, sqrt(w)*rho2, ...) |
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93 | // |
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94 | // However, since the weights are applied to the final intensity and |
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95 | // are not interned inside the I(q) function, we want the full |
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96 | // weight and not the square root. Any function using |
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97 | // set_spin_weights as part of calculating an amplitude will need to |
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98 | // manually take that square root, but there is currently no such |
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99 | // function. |
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100 | weight[0] = (1.0-in_spin) * (1.0-out_spin); // dd |
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101 | weight[1] = (1.0-in_spin) * out_spin; // du |
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102 | weight[2] = in_spin * (1.0-out_spin); // ud |
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103 | weight[3] = in_spin * out_spin; // uu |
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104 | weight[4] = weight[1]; // du.imag |
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105 | weight[5] = weight[2]; // ud.imag |
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106 | } |
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107 | |
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108 | // Compute the magnetic sld |
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109 | static double mag_sld( |
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110 | const unsigned int xs, // 0=dd, 1=du.real, 2=ud.real, 3=uu, 4=du.imag, 5=ud.imag |
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111 | const double qx, const double qy, |
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112 | const double px, const double py, |
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113 | const double sld, |
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114 | const double mx, const double my, const double mz |
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115 | ) |
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116 | { |
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117 | if (xs < 4) { |
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118 | const double perp = qy*mx - qx*my; |
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119 | switch (xs) { |
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120 | default: // keep compiler happy; condition ensures xs in [0,1,2,3] |
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121 | case 0: // uu => sld - D M_perpx |
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122 | return sld - px*perp; |
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123 | case 1: // ud.real => -D M_perpy |
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124 | return py*perp; |
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125 | case 2: // du.real => -D M_perpy |
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126 | return py*perp; |
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127 | case 3: // dd => sld + D M_perpx |
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128 | return sld + px*perp; |
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129 | } |
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130 | } else { |
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131 | if (xs== 4) { |
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132 | return -mz; // du.imag => +D M_perpz |
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133 | } else { // index == 5 |
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134 | return +mz; // ud.imag => -D M_perpz |
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135 | } |
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136 | } |
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137 | } |
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138 | |
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139 | |
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140 | #endif |
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141 | |
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142 | // ===== Helper functions for orientation and jitter ===== |
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143 | |
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144 | // To change the definition of the angles, run explore/angles.py, which |
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145 | // uses sympy to generate the equations. |
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146 | |
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147 | #if !defined(_QAC_SECTION) && defined(CALL_IQ_AC) |
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148 | #define _QAC_SECTION |
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149 | |
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150 | typedef struct { |
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151 | double R31, R32; |
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152 | } QACRotation; |
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153 | |
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154 | // Fill in the rotation matrix R from the view angles (theta, phi) and the |
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155 | // jitter angles (dtheta, dphi). This matrix can be applied to all of the |
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156 | // (qx, qy) points in the image to produce R*[qx,qy]' = [qa,qc]' |
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157 | static void |
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158 | qac_rotation( |
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159 | QACRotation *rotation, |
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160 | double theta, double phi, |
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161 | double dtheta, double dphi) |
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162 | { |
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163 | double sin_theta, cos_theta; |
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164 | double sin_phi, cos_phi; |
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165 | |
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166 | // reverse view matrix |
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167 | SINCOS(theta*M_PI_180, sin_theta, cos_theta); |
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168 | SINCOS(phi*M_PI_180, sin_phi, cos_phi); |
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169 | const double V11 = cos_phi*cos_theta; |
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170 | const double V12 = sin_phi*cos_theta; |
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171 | const double V21 = -sin_phi; |
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172 | const double V22 = cos_phi; |
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173 | const double V31 = sin_theta*cos_phi; |
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174 | const double V32 = sin_phi*sin_theta; |
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175 | |
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176 | // reverse jitter matrix |
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177 | SINCOS(dtheta*M_PI_180, sin_theta, cos_theta); |
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178 | SINCOS(dphi*M_PI_180, sin_phi, cos_phi); |
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179 | const double J31 = sin_theta; |
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180 | const double J32 = -sin_phi*cos_theta; |
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181 | const double J33 = cos_phi*cos_theta; |
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182 | |
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183 | // reverse matrix |
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184 | rotation->R31 = J31*V11 + J32*V21 + J33*V31; |
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185 | rotation->R32 = J31*V12 + J32*V22 + J33*V32; |
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186 | } |
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187 | |
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188 | // Apply the rotation matrix returned from qac_rotation to the point (qx,qy), |
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189 | // returning R*[qx,qy]' = [qa,qc]' |
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190 | static void |
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191 | qac_apply( |
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192 | QACRotation *rotation, |
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193 | double qx, double qy, |
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194 | double *qab_out, double *qc_out) |
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195 | { |
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196 | // Indirect calculation of qab, from qab^2 = |q|^2 - qc^2 |
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197 | const double dqc = rotation->R31*qx + rotation->R32*qy; |
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198 | const double dqab_sq = -dqc*dqc + qx*qx + qy*qy; |
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199 | //*qab_out = sqrt(fabs(dqab_sq)); |
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200 | *qab_out = dqab_sq > 0.0 ? sqrt(dqab_sq) : 0.0; |
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201 | *qc_out = dqc; |
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202 | } |
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203 | #endif // _QAC_SECTION |
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204 | |
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205 | #if !defined(_QABC_SECTION) && defined(CALL_IQ_ABC) |
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206 | #define _QABC_SECTION |
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207 | |
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208 | typedef struct { |
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209 | double R11, R12; |
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210 | double R21, R22; |
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211 | double R31, R32; |
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212 | } QABCRotation; |
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213 | |
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214 | // Fill in the rotation matrix R from the view angles (theta, phi, psi) and the |
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215 | // jitter angles (dtheta, dphi, dpsi). This matrix can be applied to all of the |
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216 | // (qx, qy) points in the image to produce R*[qx,qy]' = [qa,qb,qc]' |
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217 | static void |
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218 | qabc_rotation( |
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219 | QABCRotation *rotation, |
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220 | double theta, double phi, double psi, |
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221 | double dtheta, double dphi, double dpsi) |
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222 | { |
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223 | double sin_theta, cos_theta; |
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224 | double sin_phi, cos_phi; |
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225 | double sin_psi, cos_psi; |
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226 | |
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227 | // reverse view matrix |
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228 | SINCOS(theta*M_PI_180, sin_theta, cos_theta); |
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229 | SINCOS(phi*M_PI_180, sin_phi, cos_phi); |
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230 | SINCOS(psi*M_PI_180, sin_psi, cos_psi); |
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231 | const double V11 = -sin_phi*sin_psi + cos_phi*cos_psi*cos_theta; |
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232 | const double V12 = sin_phi*cos_psi*cos_theta + sin_psi*cos_phi; |
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233 | const double V21 = -sin_phi*cos_psi - sin_psi*cos_phi*cos_theta; |
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234 | const double V22 = -sin_phi*sin_psi*cos_theta + cos_phi*cos_psi; |
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235 | const double V31 = sin_theta*cos_phi; |
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236 | const double V32 = sin_phi*sin_theta; |
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237 | |
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238 | // reverse jitter matrix |
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239 | SINCOS(dtheta*M_PI_180, sin_theta, cos_theta); |
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240 | SINCOS(dphi*M_PI_180, sin_phi, cos_phi); |
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241 | SINCOS(dpsi*M_PI_180, sin_psi, cos_psi); |
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242 | const double J11 = cos_psi*cos_theta; |
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243 | const double J12 = sin_phi*sin_theta*cos_psi + sin_psi*cos_phi; |
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244 | const double J13 = sin_phi*sin_psi - sin_theta*cos_phi*cos_psi; |
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245 | const double J21 = -sin_psi*cos_theta; |
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246 | const double J22 = -sin_phi*sin_psi*sin_theta + cos_phi*cos_psi; |
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247 | const double J23 = sin_phi*cos_psi + sin_psi*sin_theta*cos_phi; |
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248 | const double J31 = sin_theta; |
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249 | const double J32 = -sin_phi*cos_theta; |
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250 | const double J33 = cos_phi*cos_theta; |
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251 | |
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252 | // reverse matrix |
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253 | rotation->R11 = J11*V11 + J12*V21 + J13*V31; |
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254 | rotation->R12 = J11*V12 + J12*V22 + J13*V32; |
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255 | rotation->R21 = J21*V11 + J22*V21 + J23*V31; |
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256 | rotation->R22 = J21*V12 + J22*V22 + J23*V32; |
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257 | rotation->R31 = J31*V11 + J32*V21 + J33*V31; |
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258 | rotation->R32 = J31*V12 + J32*V22 + J33*V32; |
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259 | } |
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260 | |
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261 | // Apply the rotation matrix returned from qabc_rotation to the point (qx,qy), |
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262 | // returning R*[qx,qy]' = [qa,qb,qc]' |
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263 | static void |
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264 | qabc_apply( |
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265 | QABCRotation *rotation, |
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266 | double qx, double qy, |
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267 | double *qa_out, double *qb_out, double *qc_out) |
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268 | { |
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269 | *qa_out = rotation->R11*qx + rotation->R12*qy; |
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270 | *qb_out = rotation->R21*qx + rotation->R22*qy; |
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271 | *qc_out = rotation->R31*qx + rotation->R32*qy; |
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272 | } |
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273 | |
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274 | #endif // _QABC_SECTION |
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275 | |
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276 | // ==================== KERNEL CODE ======================== |
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277 | kernel |
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278 | void KERNEL_NAME( |
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279 | int32_t nq, // number of q values |
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280 | const int32_t pd_start, // where we are in the dispersity loop |
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281 | const int32_t pd_stop, // where we are stopping in the dispersity loop |
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282 | pglobal const ProblemDetails *details, |
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283 | pglobal const double *values, // parameter values and distributions |
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284 | pglobal const double *q, // nq q values, with padding to boundary |
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285 | pglobal double *result, // nq+1 return values, again with padding |
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286 | const double cutoff, // cutoff in the dispersity weight product |
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287 | int32_t effective_radius_type // which effective radius to compute |
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288 | ) |
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289 | { |
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290 | #if defined(USE_GPU) |
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291 | // who we are and what element we are working with |
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292 | #if defined(USE_OPENCL) |
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293 | const int q_index = get_global_id(0); |
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294 | #else // USE_CUDA |
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295 | const int q_index = threadIdx.x + blockIdx.x * blockDim.x; |
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296 | #endif |
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297 | if (q_index >= nq) return; |
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298 | #else |
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299 | // Define q_index here so that debugging statements can be written to work |
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300 | // for both OpenCL and DLL using: |
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301 | // if (q_index == 0) {printf(...);} |
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302 | int q_index = 0; |
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303 | #endif |
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304 | |
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305 | // ** Fill in the local values table ** |
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306 | // Storage for the current parameter values. |
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307 | // These will be updated as we walk the dispersity mesh. |
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308 | ParameterBlock local_values; |
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309 | // values[0] is scale |
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310 | // values[1] is background |
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311 | #ifdef USE_OPENMP |
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312 | #pragma omp parallel for |
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313 | #endif |
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314 | for (int i=0; i < NUM_PARS; i++) { |
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315 | local_values.vector[i] = values[2+i]; |
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316 | //if (q_index==0) printf("p%d = %g\n",i, local_values.vector[i]); |
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317 | } |
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318 | //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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319 | //if (q_index==0) printf("start:%d stop:%d\n", pd_start, pd_stop); |
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320 | |
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321 | // ** Precompute magnatism values ** |
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322 | #if defined(MAGNETIC) && NUM_MAGNETIC>0 |
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323 | // Location of the sld parameters in the parameter vector. |
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324 | // These parameters are updated with the effective sld due to magnetism. |
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325 | const int32_t slds[] = { MAGNETIC_PARS }; |
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326 | |
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327 | // Interpret polarization cross section. |
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328 | // up_frac_i = values[NUM_PARS+2]; |
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329 | // up_frac_f = values[NUM_PARS+3]; |
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330 | // up_angle = values[NUM_PARS+4]; |
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331 | // TODO: could precompute more magnetism parameters before calling the kernel. |
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332 | double xs_weights[8]; // uu, ud real, du real, dd, ud imag, du imag, fill, fill |
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333 | double cos_mspin, sin_mspin; |
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334 | set_spin_weights(values[NUM_PARS+2], values[NUM_PARS+3], xs_weights); |
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335 | SINCOS(-values[NUM_PARS+4]*M_PI_180, sin_mspin, cos_mspin); |
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336 | #endif // MAGNETIC |
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337 | |
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338 | // ** Fill in the initial results ** |
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339 | // If pd_start is zero that means that we are starting a new calculation, |
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340 | // and must initialize the result to zero. Otherwise, we are restarting |
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341 | // the calculation from somewhere in the middle of the dispersity mesh, |
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342 | // and we update the value rather than reset it. Similarly for the |
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343 | // normalization factor, which is stored as the final value in the |
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344 | // results vector (one past the number of q values). |
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345 | // |
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346 | // The code differs slightly between opencl and dll since opencl is only |
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347 | // seeing one q value (stored in the variable "this_F2") while the dll |
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348 | // version must loop over all q. |
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349 | #if defined(CALL_FQ) |
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350 | double weight_norm = (pd_start == 0 ? 0.0 : result[2*nq]); |
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351 | double weighted_form = (pd_start == 0 ? 0.0 : result[2*nq+1]); |
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352 | double weighted_shell = (pd_start == 0 ? 0.0 : result[2*nq+2]); |
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353 | double weighted_radius = (pd_start == 0 ? 0.0 : result[2*nq+3]); |
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354 | #else |
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355 | double weight_norm = (pd_start == 0 ? 0.0 : result[nq]); |
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356 | double weighted_form = (pd_start == 0 ? 0.0 : result[nq+1]); |
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357 | double weighted_shell = (pd_start == 0 ? 0.0 : result[nq+2]); |
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358 | double weighted_radius = (pd_start == 0 ? 0.0 : result[nq+3]); |
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359 | #endif |
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360 | #if defined(USE_GPU) |
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361 | #if defined(CALL_FQ) |
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362 | double this_F2 = (pd_start == 0 ? 0.0 : result[2*q_index+0]); |
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363 | double this_F1 = (pd_start == 0 ? 0.0 : result[2*q_index+1]); |
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364 | #else |
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365 | double this_F2 = (pd_start == 0 ? 0.0 : result[q_index]); |
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366 | #endif |
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367 | #else // !USE_GPU |
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368 | if (pd_start == 0) { |
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369 | #ifdef USE_OPENMP |
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370 | #pragma omp parallel for |
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371 | #endif |
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372 | #if defined(CALL_FQ) |
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373 | // 2*nq for F^2,F pairs |
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374 | for (int q_index=0; q_index < 2*nq; q_index++) result[q_index] = 0.0; |
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375 | #else |
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376 | for (int q_index=0; q_index < nq; q_index++) result[q_index] = 0.0; |
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377 | #endif |
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378 | } |
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379 | //if (q_index==0) printf("start %d %g %g\n", pd_start, pd_norm, result[0]); |
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380 | #endif // !USE_GPU |
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381 | |
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382 | |
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383 | // ====== macros to set up the parts of the loop ======= |
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384 | /* |
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385 | Based on the level of the loop, uses C preprocessor magic to construct |
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386 | level-specific looping variables, including these from loop level 3: |
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387 | |
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388 | int n3 : length of loop for mesh level 3 |
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389 | int i3 : current position in the loop for level 3, which is calculated |
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390 | from a combination of pd_start, pd_stride[3] and pd_length[3]. |
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391 | int p3 : is the index into the parameter table for mesh level 3 |
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392 | double v3[] : pointer into dispersity array to values for loop 3 |
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393 | double w3[] : pointer into dispersity array to weights for loop 3 |
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394 | double weight3 : the product of weights from levels 3 and up, computed |
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395 | as weight5*weight4*w3[i3]. Note that we need an outermost |
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396 | value weight5 set to 1.0 for this to work properly. |
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397 | |
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398 | After expansion, the loop struction will look like the following: |
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399 | |
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400 | // --- PD_INIT(4) --- |
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401 | const int n4 = pd_length[4]; |
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402 | const int p4 = pd_par[4]; |
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403 | pglobal const double *v4 = pd_value + pd_offset[4]; |
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404 | pglobal const double *w4 = pd_weight + pd_offset[4]; |
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405 | int i4 = (pd_start/pd_stride[4])%n4; // position in level 4 at pd_start |
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406 | |
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407 | // --- PD_INIT(3) --- |
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408 | const int n3 = pd_length[3]; |
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409 | ... |
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410 | int i3 = (pd_start/pd_stride[3])%n3; // position in level 3 at pd_start |
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411 | |
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412 | PD_INIT(2) |
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413 | PD_INIT(1) |
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414 | PD_INIT(0) |
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415 | |
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416 | // --- PD_OUTERMOST_WEIGHT(5) --- |
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417 | const double weight5 = 1.0; |
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418 | |
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419 | // --- PD_OPEN(4,5) --- |
---|
420 | while (i4 < n4) { |
---|
421 | parameter[p4] = v4[i4]; // set the value for pd parameter 4 at this mesh point |
---|
422 | const double weight4 = w4[i4] * weight5; |
---|
423 | |
---|
424 | // from PD_OPEN(3,4) |
---|
425 | while (i3 < n3) { |
---|
426 | parameter[p3] = v3[i3]; // set the value for pd parameter 3 at this mesh point |
---|
427 | const double weight3 = w3[i3] * weight4; |
---|
428 | |
---|
429 | PD_OPEN(3,2) |
---|
430 | PD_OPEN(2,1) |
---|
431 | PD_OPEN(0,1) |
---|
432 | |
---|
433 | // ... main loop body ... |
---|
434 | APPLY_PROJECTION // convert jitter values to spherical coords |
---|
435 | BUILD_ROTATION // construct the rotation matrix qxy => qabc |
---|
436 | for each q |
---|
437 | FETCH_Q // set qx,qy from the q input vector |
---|
438 | APPLY_ROTATION // convert qx,qy to qa,qb,qc |
---|
439 | CALL_KERNEL // F2 = Iqxy(qa, qb, qc, p1, p2, ...) |
---|
440 | |
---|
441 | ++step; // increment counter representing position in dispersity mesh |
---|
442 | |
---|
443 | PD_CLOSE(0) |
---|
444 | PD_CLOSE(1) |
---|
445 | PD_CLOSE(2) |
---|
446 | |
---|
447 | // --- PD_CLOSE(3) --- |
---|
448 | if (step >= pd_stop) break; |
---|
449 | ++i3; |
---|
450 | } |
---|
451 | i3 = 0; // reset loop counter for next round through the loop |
---|
452 | |
---|
453 | // --- PD_CLOSE(4) --- |
---|
454 | if (step >= pd_stop) break; |
---|
455 | ++i4; |
---|
456 | } |
---|
457 | i4 = 0; // reset loop counter even though no more rounds through the loop |
---|
458 | |
---|
459 | */ |
---|
460 | |
---|
461 | |
---|
462 | // ** prepare inner loops ** |
---|
463 | |
---|
464 | // Depending on the shape type (radial, axial, triaxial), the variables |
---|
465 | // and calling parameters in the loop body will be slightly different. |
---|
466 | // Macros capture the differences in one spot so the rest of the code |
---|
467 | // is easier to read. The code below both declares variables for the |
---|
468 | // inner loop and defines the macros that use them. |
---|
469 | |
---|
470 | |
---|
471 | #if defined(CALL_FQ) // COMPUTE_F1_F2 is true |
---|
472 | // unoriented 1D returning <F> and <F^2> |
---|
473 | // Note that F1 and F2 are returned from CALL_FQ by reference, and the |
---|
474 | // user of the CALL_KERNEL macro below is assuming that F1 and F2 are defined. |
---|
475 | double qk; |
---|
476 | double F1, F2; |
---|
477 | #define FETCH_Q() do { qk = q[q_index]; } while (0) |
---|
478 | #define BUILD_ROTATION() do {} while(0) |
---|
479 | #define APPLY_ROTATION() do {} while(0) |
---|
480 | #define CALL_KERNEL() CALL_FQ(qk,F1,F2,local_values.table) |
---|
481 | |
---|
482 | #elif defined(CALL_FQ_A) |
---|
483 | // unoriented 2D return <F> and <F^2> |
---|
484 | // Note that the CALL_FQ_A macro is computing _F1_slot and _F2_slot by |
---|
485 | // reference then returning _F2_slot. We are calling them _F1_slot and |
---|
486 | // _F2_slot here so they don't conflict with _F1 and _F2 in the macro |
---|
487 | // expansion, or with the use of F2 = CALL_KERNEL() when it is used below. |
---|
488 | double qx, qy; |
---|
489 | double _F1_slot, _F2_slot; |
---|
490 | #define FETCH_Q() do { qx = q[2*q_index]; qy = q[2*q_index+1]; } while (0) |
---|
491 | #define BUILD_ROTATION() do {} while(0) |
---|
492 | #define APPLY_ROTATION() do {} while(0) |
---|
493 | #define CALL_KERNEL() CALL_FQ_A(sqrt(qx*qx+qy*qy),_F1_slot,_F2_slot,local_values.table) |
---|
494 | |
---|
495 | #elif defined(CALL_IQ) |
---|
496 | // unoriented 1D return <F^2> |
---|
497 | double qk; |
---|
498 | #define FETCH_Q() do { qk = q[q_index]; } while (0) |
---|
499 | #define BUILD_ROTATION() do {} while(0) |
---|
500 | #define APPLY_ROTATION() do {} while(0) |
---|
501 | #define CALL_KERNEL() CALL_IQ(qk,local_values.table) |
---|
502 | |
---|
503 | #elif defined(CALL_IQ_A) |
---|
504 | // unoriented 2D |
---|
505 | double qx, qy; |
---|
506 | #define FETCH_Q() do { qx = q[2*q_index]; qy = q[2*q_index+1]; } while (0) |
---|
507 | #define BUILD_ROTATION() do {} while(0) |
---|
508 | #define APPLY_ROTATION() do {} while(0) |
---|
509 | #define CALL_KERNEL() CALL_IQ_A(sqrt(qx*qx+qy*qy), local_values.table) |
---|
510 | |
---|
511 | #elif defined(CALL_IQ_AC) |
---|
512 | // oriented symmetric 2D |
---|
513 | double qx, qy; |
---|
514 | #define FETCH_Q() do { qx = q[2*q_index]; qy = q[2*q_index+1]; } while (0) |
---|
515 | double qa, qc; |
---|
516 | QACRotation rotation; |
---|
517 | // theta, phi, dtheta, dphi are defined below in projection to avoid repeated code. |
---|
518 | #define BUILD_ROTATION() qac_rotation(&rotation, theta, phi, dtheta, dphi); |
---|
519 | #define APPLY_ROTATION() qac_apply(&rotation, qx, qy, &qa, &qc) |
---|
520 | #define CALL_KERNEL() CALL_IQ_AC(qa, qc, local_values.table) |
---|
521 | |
---|
522 | #elif defined(CALL_IQ_ABC) |
---|
523 | // oriented asymmetric 2D |
---|
524 | double qx, qy; |
---|
525 | #define FETCH_Q() do { qx = q[2*q_index]; qy = q[2*q_index+1]; } while (0) |
---|
526 | double qa, qb, qc; |
---|
527 | QABCRotation rotation; |
---|
528 | // theta, phi, dtheta, dphi are defined below in projection to avoid repeated code. |
---|
529 | // psi and dpsi are only for IQ_ABC, so they are processed here. |
---|
530 | const double psi = values[details->theta_par+4]; |
---|
531 | local_values.table.psi = 0.; |
---|
532 | #define BUILD_ROTATION() qabc_rotation(&rotation, theta, phi, psi, dtheta, dphi, local_values.table.psi) |
---|
533 | #define APPLY_ROTATION() qabc_apply(&rotation, qx, qy, &qa, &qb, &qc) |
---|
534 | #define CALL_KERNEL() CALL_IQ_ABC(qa, qb, qc, local_values.table) |
---|
535 | |
---|
536 | #elif defined(CALL_IQ_XY) |
---|
537 | // direct call to qx,qy calculator |
---|
538 | double qx, qy; |
---|
539 | #define FETCH_Q() do { qx = q[2*q_index]; qy = q[2*q_index+1]; } while (0) |
---|
540 | #define BUILD_ROTATION() do {} while(0) |
---|
541 | #define APPLY_ROTATION() do {} while(0) |
---|
542 | #define CALL_KERNEL() CALL_IQ_XY(qx, qy, local_values.table) |
---|
543 | #endif |
---|
544 | |
---|
545 | // Define APPLY_PROJECTION depending on model symmetries. We do this outside |
---|
546 | // the previous if block so that we don't need to repeat the identical |
---|
547 | // logic in the IQ_AC and IQ_ABC branches. This will become more important |
---|
548 | // if we implement more projections, or more complicated projections. |
---|
549 | #if defined(CALL_IQ) || defined(CALL_IQ_A) || defined(CALL_FQ) || defined(CALL_FQ_A) |
---|
550 | // no orientation |
---|
551 | #define APPLY_PROJECTION() const double weight=weight0 |
---|
552 | #elif defined(CALL_IQ_XY) // pass orientation to the model |
---|
553 | // CRUFT: support oriented model which define Iqxy rather than Iqac or Iqabc |
---|
554 | // Need to plug the values for the orientation angles back into parameter |
---|
555 | // table in case they were overridden by the orientation offset. This |
---|
556 | // means that orientation dispersity will not work for these models, but |
---|
557 | // it was broken anyway, so no matter. Still want to provide Iqxy in case |
---|
558 | // the user model wants full control of orientation/magnetism. |
---|
559 | #if defined(HAVE_PSI) |
---|
560 | const double theta = values[details->theta_par+2]; |
---|
561 | const double phi = values[details->theta_par+3]; |
---|
562 | const double psi = values[details->theta_par+4]; |
---|
563 | double weight; |
---|
564 | #define APPLY_PROJECTION() do { \ |
---|
565 | local_values.table.theta = theta; \ |
---|
566 | local_values.table.phi = phi; \ |
---|
567 | local_values.table.psi = psi; \ |
---|
568 | weight=weight0; \ |
---|
569 | } while (0) |
---|
570 | #elif defined(HAVE_THETA) |
---|
571 | const double theta = values[details->theta_par+2]; |
---|
572 | const double phi = values[details->theta_par+3]; |
---|
573 | double weight; |
---|
574 | #define APPLY_PROJECTION() do { \ |
---|
575 | local_values.table.theta = theta; \ |
---|
576 | local_values.table.phi = phi; \ |
---|
577 | weight=weight0; \ |
---|
578 | } while (0) |
---|
579 | #else |
---|
580 | #define APPLY_PROJECTION() const double weight=weight0 |
---|
581 | #endif |
---|
582 | #else // apply jitter and view before calling the model |
---|
583 | // Grab the "view" angles (theta, phi, psi) from the initial parameter table. |
---|
584 | const double theta = values[details->theta_par+2]; |
---|
585 | const double phi = values[details->theta_par+3]; |
---|
586 | // Make sure jitter angle defaults to zero if there is no jitter distribution |
---|
587 | local_values.table.theta = 0.; |
---|
588 | local_values.table.phi = 0.; |
---|
589 | // The "jitter" angles (dtheta, dphi, dpsi) are stored with the |
---|
590 | // dispersity values and copied to the local parameter table as |
---|
591 | // we go through the mesh. |
---|
592 | double dtheta, dphi, weight; |
---|
593 | #if PROJECTION == 1 // equirectangular |
---|
594 | #define APPLY_PROJECTION() do { \ |
---|
595 | dtheta = local_values.table.theta; \ |
---|
596 | dphi = local_values.table.phi; \ |
---|
597 | weight = fabs(cos(dtheta*M_PI_180)) * weight0; \ |
---|
598 | } while (0) |
---|
599 | #elif PROJECTION == 2 // sinusoidal |
---|
600 | #define APPLY_PROJECTION() do { \ |
---|
601 | dtheta = local_values.table.theta; \ |
---|
602 | dphi = local_values.table.phi; \ |
---|
603 | weight = weight0; \ |
---|
604 | if (dtheta != 90.0) dphi /= cos(dtheta*M_PI_180); \ |
---|
605 | else if (dphi != 0.0) weight = 0.; \ |
---|
606 | if (fabs(dphi) >= 180.) weight = 0.; \ |
---|
607 | } while (0) |
---|
608 | #endif |
---|
609 | #endif // done defining APPLY_PROJECTION |
---|
610 | |
---|
611 | // ** define looping macros ** |
---|
612 | |
---|
613 | // Define looping variables |
---|
614 | #define PD_INIT(_LOOP) \ |
---|
615 | const int n##_LOOP = details->pd_length[_LOOP]; \ |
---|
616 | const int p##_LOOP = details->pd_par[_LOOP]; \ |
---|
617 | pglobal const double *v##_LOOP = pd_value + details->pd_offset[_LOOP]; \ |
---|
618 | pglobal const double *w##_LOOP = pd_weight + details->pd_offset[_LOOP]; \ |
---|
619 | int i##_LOOP = (pd_start/details->pd_stride[_LOOP])%n##_LOOP; |
---|
620 | |
---|
621 | // Jump into the middle of the dispersity loop |
---|
622 | #define PD_OPEN(_LOOP,_OUTER) \ |
---|
623 | while (i##_LOOP < n##_LOOP) { \ |
---|
624 | local_values.vector[p##_LOOP] = v##_LOOP[i##_LOOP]; \ |
---|
625 | const double weight##_LOOP = w##_LOOP[i##_LOOP] * weight##_OUTER; |
---|
626 | |
---|
627 | // create the variable "weight#=1.0" where # is the outermost level+1 (=MAX_PD). |
---|
628 | #define _PD_OUTERMOST_WEIGHT(_n) const double weight##_n = 1.0; |
---|
629 | #define PD_OUTERMOST_WEIGHT(_n) _PD_OUTERMOST_WEIGHT(_n) |
---|
630 | |
---|
631 | // Close out the loop |
---|
632 | #define PD_CLOSE(_LOOP) \ |
---|
633 | if (step >= pd_stop) break; \ |
---|
634 | ++i##_LOOP; \ |
---|
635 | } \ |
---|
636 | i##_LOOP = 0; |
---|
637 | |
---|
638 | // ====== construct the loops ======= |
---|
639 | |
---|
640 | // Pointers to the start of the dispersity and weight vectors, if needed. |
---|
641 | #if MAX_PD>0 |
---|
642 | pglobal const double *pd_value = values + NUM_VALUES; |
---|
643 | pglobal const double *pd_weight = pd_value + details->num_weights; |
---|
644 | #endif |
---|
645 | |
---|
646 | // The variable "step" is the current position in the dispersity loop. |
---|
647 | // It will be incremented each time a new point in the mesh is accumulated, |
---|
648 | // and used to test whether we have reached pd_stop. |
---|
649 | int step = pd_start; |
---|
650 | |
---|
651 | // *** define loops for each of 0, 1, 2, ..., modelinfo.MAX_PD-1 *** |
---|
652 | |
---|
653 | // define looping variables |
---|
654 | #if MAX_PD>4 |
---|
655 | PD_INIT(4) |
---|
656 | #endif |
---|
657 | #if MAX_PD>3 |
---|
658 | PD_INIT(3) |
---|
659 | #endif |
---|
660 | #if MAX_PD>2 |
---|
661 | PD_INIT(2) |
---|
662 | #endif |
---|
663 | #if MAX_PD>1 |
---|
664 | PD_INIT(1) |
---|
665 | #endif |
---|
666 | #if MAX_PD>0 |
---|
667 | PD_INIT(0) |
---|
668 | #endif |
---|
669 | |
---|
670 | // open nested loops |
---|
671 | PD_OUTERMOST_WEIGHT(MAX_PD) |
---|
672 | #if MAX_PD>4 |
---|
673 | PD_OPEN(4,5) |
---|
674 | #endif |
---|
675 | #if MAX_PD>3 |
---|
676 | PD_OPEN(3,4) |
---|
677 | #endif |
---|
678 | #if MAX_PD>2 |
---|
679 | PD_OPEN(2,3) |
---|
680 | #endif |
---|
681 | #if MAX_PD>1 |
---|
682 | PD_OPEN(1,2) |
---|
683 | #endif |
---|
684 | #if MAX_PD>0 |
---|
685 | PD_OPEN(0,1) |
---|
686 | #endif |
---|
687 | |
---|
688 | //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");} |
---|
689 | |
---|
690 | // ====== loop body ======= |
---|
691 | #ifdef INVALID |
---|
692 | if (!INVALID(local_values.table)) |
---|
693 | #endif |
---|
694 | { |
---|
695 | APPLY_PROJECTION(); |
---|
696 | |
---|
697 | // Accumulate I(q) |
---|
698 | // Note: weight==0 must always be excluded |
---|
699 | if (weight > cutoff) { |
---|
700 | double form, shell; |
---|
701 | CALL_VOLUME(form, shell, local_values.table); |
---|
702 | weight_norm += weight; |
---|
703 | weighted_form += weight * form; |
---|
704 | weighted_shell += weight * shell; |
---|
705 | if (effective_radius_type != 0) { |
---|
706 | weighted_radius += weight * CALL_EFFECTIVE_RADIUS(effective_radius_type, local_values.table); |
---|
707 | } |
---|
708 | BUILD_ROTATION(); |
---|
709 | |
---|
710 | #if !defined(USE_GPU) |
---|
711 | // DLL needs to explicitly loop over the q values. |
---|
712 | #ifdef USE_OPENMP |
---|
713 | #pragma omp parallel for |
---|
714 | #endif |
---|
715 | for (q_index=0; q_index<nq; q_index++) |
---|
716 | #endif // !USE_GPU |
---|
717 | { |
---|
718 | |
---|
719 | FETCH_Q(); |
---|
720 | APPLY_ROTATION(); |
---|
721 | |
---|
722 | // ======= COMPUTE SCATTERING ========== |
---|
723 | #if defined(MAGNETIC) && NUM_MAGNETIC > 0 |
---|
724 | // Compute the scattering from the magnetic cross sections. |
---|
725 | double F2 = 0.0; |
---|
726 | const double qsq = qx*qx + qy*qy; |
---|
727 | if (qsq > 1.e-16) { |
---|
728 | // TODO: what is the magnetic scattering at q=0 |
---|
729 | const double px = (qy*cos_mspin + qx*sin_mspin)/qsq; |
---|
730 | const double py = (qy*sin_mspin - qx*cos_mspin)/qsq; |
---|
731 | |
---|
732 | // loop over uu, ud real, du real, dd, ud imag, du imag |
---|
733 | for (unsigned int xs=0; xs<6; xs++) { |
---|
734 | const double xs_weight = xs_weights[xs]; |
---|
735 | if (xs_weight > 1.e-8) { |
---|
736 | // Since the cross section weight is significant, set the slds |
---|
737 | // to the effective slds for this cross section, call the |
---|
738 | // kernel, and add according to weight. |
---|
739 | for (int sk=0; sk<NUM_MAGNETIC; sk++) { |
---|
740 | const int32_t mag_index = NUM_PARS+5 + 3*sk; |
---|
741 | const int32_t sld_index = slds[sk]; |
---|
742 | const double mx = values[mag_index]; |
---|
743 | const double my = values[mag_index+1]; |
---|
744 | const double mz = values[mag_index+2]; |
---|
745 | local_values.vector[sld_index] = |
---|
746 | mag_sld(xs, qx, qy, px, py, values[sld_index+2], mx, my, mz); |
---|
747 | //if (q_index==0) printf("%d: (qx,qy)=(%g,%g) xs=%d sld%d=%g p=(%g,%g) m=(%g,%g,%g)\n", |
---|
748 | // q_index, qx, qy, xs, sk, local_values.vector[sld_index], px, py, mx, my, mz); |
---|
749 | } |
---|
750 | F2 += xs_weight * CALL_KERNEL(); |
---|
751 | } |
---|
752 | } |
---|
753 | } |
---|
754 | #else // !MAGNETIC |
---|
755 | #if defined(CALL_FQ) |
---|
756 | CALL_KERNEL(); // sets F1 and F2 by reference |
---|
757 | #else |
---|
758 | const double F2 = CALL_KERNEL(); |
---|
759 | #endif |
---|
760 | #endif // !MAGNETIC |
---|
761 | //printf("q_index:%d %g %g %g %g\n", q_index, F2, weight0); |
---|
762 | |
---|
763 | #if defined(USE_GPU) |
---|
764 | #if defined(CALL_FQ) |
---|
765 | this_F2 += weight * F2; |
---|
766 | this_F1 += weight * F1; |
---|
767 | #else |
---|
768 | this_F2 += weight * F2; |
---|
769 | #endif |
---|
770 | #else // !USE_OPENCL |
---|
771 | #if defined(CALL_FQ) |
---|
772 | result[2*q_index+0] += weight * F2; |
---|
773 | result[2*q_index+1] += weight * F1; |
---|
774 | #else |
---|
775 | result[q_index] += weight * F2; |
---|
776 | #endif |
---|
777 | #endif // !USE_OPENCL |
---|
778 | } |
---|
779 | } |
---|
780 | } |
---|
781 | // close nested loops |
---|
782 | ++step; |
---|
783 | #if MAX_PD>0 |
---|
784 | PD_CLOSE(0) |
---|
785 | #endif |
---|
786 | #if MAX_PD>1 |
---|
787 | PD_CLOSE(1) |
---|
788 | #endif |
---|
789 | #if MAX_PD>2 |
---|
790 | PD_CLOSE(2) |
---|
791 | #endif |
---|
792 | #if MAX_PD>3 |
---|
793 | PD_CLOSE(3) |
---|
794 | #endif |
---|
795 | #if MAX_PD>4 |
---|
796 | PD_CLOSE(4) |
---|
797 | #endif |
---|
798 | |
---|
799 | // Remember the results and the updated norm. |
---|
800 | #if defined(USE_GPU) |
---|
801 | #if defined(CALL_FQ) |
---|
802 | result[2*q_index+0] = this_F2; |
---|
803 | result[2*q_index+1] = this_F1; |
---|
804 | #else |
---|
805 | result[q_index] = this_F2; |
---|
806 | #endif |
---|
807 | if (q_index == 0) |
---|
808 | #endif |
---|
809 | { |
---|
810 | #if defined(CALL_FQ) |
---|
811 | result[2*nq] = weight_norm; |
---|
812 | result[2*nq+1] = weighted_form; |
---|
813 | result[2*nq+2] = weighted_shell; |
---|
814 | result[2*nq+3] = weighted_radius; |
---|
815 | #else |
---|
816 | result[nq] = weight_norm; |
---|
817 | result[nq+1] = weighted_form; |
---|
818 | result[nq+2] = weighted_shell; |
---|
819 | result[nq+3] = weighted_radius; |
---|
820 | #endif |
---|
821 | } |
---|
822 | |
---|
823 | // ** clear the macros in preparation for the next kernel ** |
---|
824 | #undef PD_INIT |
---|
825 | #undef PD_OPEN |
---|
826 | #undef PD_CLOSE |
---|
827 | #undef FETCH_Q |
---|
828 | #undef APPLY_PROJECTION |
---|
829 | #undef BUILD_ROTATION |
---|
830 | #undef APPLY_ROTATION |
---|
831 | #undef CALL_KERNEL |
---|
832 | } |
---|