Changeset abb6e4f in sasmodels

Timestamp:

Dec 20, 2016 3:05:48 PM (7 years ago)

Author:

Paul Kienzle <pkienzle@…>

Branches:

master, core_shell_microgels, costrafo411, magnetic_model, ticket-1257-vesicle-product, ticket_1156, ticket_1265_superball, ticket_822_more_unit_tests

Children:

56b0435

Parents:

fa4a994

Message:

round to nearest Nlayers rather than truncate

File:

• sasmodels/models/lamellar_hg_stack_caille.c (modified) (4 diffs)

sasmodels/models/lamellar_hg_stack_caille.c

@@ -3 +3 @@
 */
 
-double Iq(double qval,
-      double length_tail,
-      double length_head,
-      double Nlayers, 
-      double dd,
-      double Cp,
-      double tail_sld,
-      double head_sld,
-      double solvent_sld);
-
-double Iq(double qval,
-      double length_tail,
-      double length_head,
-      double Nlayers, 
-      double dd,
-      double Cp,
-      double tail_sld,
-      double head_sld,
-      double solvent_sld)
+static double
+Iq(double qval,
+   double length_tail,
+   double length_head,
+   double fp_Nlayers,
+   double dd,
+   double Cp,
+   double tail_sld,
+   double head_sld,
+   double solvent_sld)
 {
-  double NN;   //local variables of coefficient wave
+  int Nlayers = (int)(fp_Nlayers+0.5);    //cast to an integer for the loop
   double inten,Pq,Sq,alpha,temp,t2;
   //double dQ, dQDefault, t1, t3;
-  int ii,NNint;
   // from wikipedia 0.577215664901532860606512090082402431042159335
   const double Euler = 0.577215664901533;   // Euler's constant, increased sig figs for new models Feb 2015
@@ -32 +22 @@
   //dQ = dQDefault; // REMOVED UNUSED dQ calculations for new models Feb 2015
 
-  NN = trunc(Nlayers);    //be sure that NN is an integer
-  
-  Pq = (head_sld-solvent_sld)*(sin(qval*(length_head+length_tail))-sin(qval*length_tail)) +
-              (tail_sld-solvent_sld)*sin(qval*length_tail);
+  Pq = (head_sld-solvent_sld)*(sin(qval*(length_head+length_tail))-sin(qval*length_tail))
+       + (tail_sld-solvent_sld)*sin(qval*length_tail);
   Pq *= Pq;
   Pq *= 4.0/(qval*qval);
 
-  NNint = (int)NN;    //cast to an integer for the loop
-  ii=0;
   Sq = 0.0;
-  for(ii=1;ii<=(NNint-1);ii+=1) {
-
-    //fii = (double)ii;   //do I really need to do this? - unused variable, removed 18Feb2015
-
+  for(int ii=1; ii<=Nlayers-1; ii++) {
     temp = 0.0;
     alpha = Cp/4.0/M_PI/M_PI*(log(M_PI*ii) + Euler);
@@ -52 +35 @@
     //t3 = dQ*dQ*dd*dd*ii*ii;
 
-    temp = 1.0-ii/NN;
+    temp = 1.0-(double)ii/(double)Nlayers;
     //temp *= cos(dd*qval*ii/(1.0+t1));
     temp *= cos(dd*qval*ii);
@@ -71 +54 @@
 
   inten *= 1.0e-04;   // 1/A to 1/cm
-  return(inten);
+  return inten;
 }