Changeset 6e7ff6d in sasmodels for sasmodels/kernel_iq.c

Timestamp:

Apr 7, 2016 2:01:54 PM (8 years ago)

Author:

Paul Kienzle <pkienzle@…>

Branches:

master, core_shell_microgels, costrafo411, magnetic_model, release_v0.94, release_v0.95, ticket-1257-vesicle-product, ticket_1156, ticket_1265_superball, ticket_822_more_unit_tests

Children:

3543141

Parents:

8bd7b77

Message:

reenable python models

File:

• sasmodels/kernel_iq.c (modified) (11 diffs)

sasmodels/kernel_iq.c

@@ -42 +42 @@
     const int32_t pd_start,     // where we are in the polydispersity loop
     const int32_t pd_stop,      // where we are stopping in the polydispersity loop
-    global const ProblemDetails *problem,
+    global const ProblemDetails *details,
     global const double *weights,
     global const double *values,
@@ -60 +60 @@
   #endif
   for (int k=0; k < NPARS; k++) {
-    pvec[k] = values[problem->par_offset[k]];
+    pvec[k] = values[details->par_offset[k]];
   }
 
@@ -78 +78 @@
 
   // Monodisperse computation
-  if (problem->num_active == 0) {
+  if (details->num_active == 0) {
     #ifdef INVALID
     if (INVALID(local_values)) { return; }
@@ -116 +116 @@
   // Trigger the reset behaviour that happens at the end the fast loop
   // by setting the initial index >= weight vector length.
-  const int fast_length = problem->pd_length[0];
+  const int fast_length = details->pd_length[0];
   pd_index[0] = fast_length;
 
@@ -123 +123 @@
     // check if indices need to be updated
     if (pd_index[0] == fast_length) {
-      //printf("should be here with %d active\n", problem->num_active);
+      //printf("should be here with %d active\n", details->num_active);
 
       // Compute position in polydispersity hypercube
-      for (int k=0; k < problem->num_active; k++) {
-        pd_index[k] = (loop_index/problem->pd_stride[k])%problem->pd_length[k];
+      for (int k=0; k < details->num_active; k++) {
+        pd_index[k] = (loop_index/details->pd_stride[k])%details->pd_length[k];
         //printf("pd_index[%d] = %d\n",k,pd_index[k]);
       }
@@ -134 +134 @@
       partial_weight = 1.0;
       //printf("partial weight %d: ", loop_index);
-      for (int k=1; k < problem->num_active; k++) {
-        double wi = weights[problem->pd_offset[k] + pd_index[k]];
-        //printf("pd[%d]=par[%d]=%g ", k, problem->pd_par[k], wi);
+      for (int k=1; k < details->num_active; k++) {
+        double wi = weights[details->pd_offset[k] + pd_index[k]];
+        //printf("pd[%d]=par[%d]=%g ", k, details->pd_par[k], wi);
         partial_weight *= wi;
       }
@@ -143 +143 @@
       // Update parameter offsets in weight vector
       //printf("slow %d: ", loop_index);
-      for (int k=0; k < problem->num_coord; k++) {
-        int par = problem->par_coord[k];
-        int coord = problem->pd_coord[k];
-        int this_offset = problem->par_offset[par];
+      for (int k=0; k < details->num_coord; k++) {
+        int par = details->par_coord[k];
+        int coord = details->pd_coord[k];
+        int this_offset = details->par_offset[par];
         int block_size = 1;
         for (int bit=0; coord != 0; bit++) {
           if (coord&1) {
               this_offset += block_size * pd_index[bit];
-              block_size *= problem->pd_length[bit];
+              block_size *= details->pd_length[bit];
           }
           coord >>= 1;
@@ -159 +159 @@
         //printf("par[%d]=v[%d]=%g \n", k, offset[k], pvec[k]);
         // if theta is not coordinated with fast index, precompute spherical correction
-        if (par == problem->theta_par && !(problem->par_coord[k]&1)) {
-          spherical_correction = fmax(fabs(cos(M_PI_180*pvec[problem->theta_par])), 1e-6);
+        if (par == details->theta_par && !(details->par_coord[k]&1)) {
+          spherical_correction = fmax(fabs(cos(M_PI_180*pvec[details->theta_par])), 1e-6);
         }
       }
@@ -167 +167 @@
 
     // Increment fast index
-    const double wi = weights[problem->pd_offset[0] + pd_index[0]++];
+    const double wi = weights[details->pd_offset[0] + pd_index[0]++];
     double weight = partial_weight*wi;
     //printf("fast %d: ", loop_index);
-    for (int k=0; k < problem->num_coord; k++) {
-      if (problem->pd_coord[k]&1) {
-        const int par = problem->par_coord[k];
+    for (int k=0; k < details->num_coord; k++) {
+      if (details->pd_coord[k]&1) {
+        const int par = details->par_coord[k];
         pvec[par] = values[offset[par]++];
         //printf("p[%d]=v[%d]=%g ", par, offset[par]-1, pvec[par]);
         // if theta is coordinated with fast index, compute spherical correction each time
-        if (par == problem->theta_par) {
-          spherical_correction = fmax(fabs(cos(M_PI_180*pvec[problem->theta_par])), 1e-6);
+        if (par == details->theta_par) {
+          spherical_correction = fmax(fabs(cos(M_PI_180*pvec[details->theta_par])), 1e-6);
         }
       }
@@ -209 +209 @@
 
   // End of the PD loop we can normalize
-  if (pd_stop >= problem->total_pd) {
+  if (pd_stop >= details->total_pd) {
     const double scale = values[0];
     const double background = values[1];
@@ -216 +216 @@
     #endif
     for (int i=0; i < nq; i++) {
-      result[i] = (norm>0. ? scale*scattering/norm + background : background);
+      result[i] = (norm>0. ? scale*result[i]/norm + background : background);
     }
   }