Changeset a6f9577 in sasmodels for sasmodels/kernel_iq.c

Timestamp:

Mar 21, 2016 7:40:25 AM (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:

9f4409a

Parents:

39cc3be

Message:

restore support for simple polydispersity (incomplete)

File:

• sasmodels/kernel_iq.c (modified) (5 diffs)

sasmodels/kernel_iq.c

@@ -18 +18 @@
 
 typedef struct {
-    int32_t pd_par[MAX_PD];     // index of the nth polydispersity variable
+    int32_t pd_par[MAX_PD];     // id of the nth polydispersity variable
     int32_t pd_length[MAX_PD];  // length of the nth polydispersity weight vector
     int32_t pd_offset[MAX_PD];  // offset of pd weights in the par & weight vector
@@ -25 +25 @@
     int32_t par_offset[NPARS];  // offset of par values in the par & weight vector
     int32_t par_coord[NPARS];   // polydispersity coordination bitvector
-    int32_t fast_coord_index[NPARS]; // index of the fast coordination parameters
+    int32_t fast_coord_pars[NPARS]; // ids of the fast coordination parameters
     int32_t fast_coord_count;   // number of parameters coordinated with pd 1
     int32_t theta_var;          // id of spherical correction variable
-    int32_t fast_theta;         // true if spherical correction depends on pd 1
 } ProblemDetails;
 
@@ -55 +54 @@
   double *pvec = (double *)(&local_pars);  // Alias named parameters with a vector
 
-  local int offset[NPARS-2];
+  local int offset[NPARS];  // NPARS excludes scale/background
 
 #if 1 // defined(USE_SHORTCUT_OPTIMIZATION)
@@ -155 +154 @@
         spherical_correction = fabs(cos(M_PI_180*pvec[problem->theta_var]));
       }
-      if (!problem->fast_theta) {
+      if (problem->theta_var == problem->pd_par[0]) {
         weight *= spherical_correction;
       }
@@ -167 +166 @@
       if (problem->pd_isvol[0]) vol_weight *= wi;
       for (int k=0; k < problem->fast_coord_count; k++) {
-        pvec[problem->fast_coord_index[k]]
-            = pars[offset[problem->fast_coord_index[k]]++];
-      }
-      if (problem->fast_theta) {
+        pvec[problem->fast_coord_pars[k]]
+            = pars[offset[problem->fast_coord_pars[k]]++];
+      }
+      if (problem->theta_var ==problem->pd_par[0]) {
         weight *= fabs(cos(M_PI_180*pvec[problem->theta_var]));
       }