Changeset d2deac2 in sasmodels

Timestamp:

Dec 20, 2016 4:40:52 PM (8 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:

e9b0ef3

Parents:

21fbab1

Message:

use integer number of pearls when computing effective radius

Location:

sasmodels/models

Files:

• pearl_necklace.c (modified) (4 diffs)
• pearl_necklace.py (modified) (2 diffs)

sasmodels/models/pearl_necklace.c

@@ -1 +1 @@
 double form_volume(double radius, double edge_sep,
-    double thick_string, double num_pearls);
+    double thick_string, double fp_num_pearls);
 double Iq(double q, double radius, double edge_sep,
-    double thick_string, double num_pearls, double sld, 
+    double thick_string, double fp_num_pearls, double sld,
     double string_sld, double solvent_sld);
 
@@ -9 +9 @@
 // From Igor library
 static double
-_pearl_necklace_kernel(double q, double radius, double edge_sep, double thick_string,
-    double num_pearls, double sld_pearl, double sld_string, double sld_solv)
+pearl_necklace_kernel(double q, double radius, double edge_sep, double thick_string,
+    int num_pearls, double sld_pearl, double sld_string, double sld_solv)
 {
     // number of string segments
@@ -69 +69 @@
 
 double form_volume(double radius, double edge_sep,
-    double thick_string, double num_pearls)
+    double thick_string, double fp_num_pearls)
 {
-    num_pearls = floor(num_pearls + 0.5); //Force integer number of pearls
-
-    const double num_strings = num_pearls - 1.0;
+    const int num_pearls = (int)(fp_num_pearls + 0.5); //Force integer number of pearls
+    const int num_strings = num_pearls - 1;
     const double string_vol = edge_sep * M_PI_4 * thick_string * thick_string;
     const double pearl_vol = M_4PI_3 * radius * radius * radius;
@@ -82 +81 @@
 
 double Iq(double q, double radius, double edge_sep,
-    double thick_string, double num_pearls, double sld, 
+    double thick_string, double fp_num_pearls, double sld,
     double string_sld, double solvent_sld)
 {
-    const double form = _pearl_necklace_kernel(q, radius, edge_sep,
+    const int num_pearls = (int)(fp_num_pearls + 0.5); //Force integer number of pearls
+    const double form = pearl_necklace_kernel(q, radius, edge_sep,
         thick_string, num_pearls, sld, string_sld, solvent_sld);
 

sasmodels/models/pearl_necklace.py

@@ -100 +100 @@
     Redundant with form_volume.
     """
+    num_pearls = int(num_pearls + 0.5)
     number_of_strings = num_pearls - 1.0
     string_vol = edge_sep * pi * pow((thick_string / 2.0), 2.0)
@@ -111 +112 @@
     Calculation for effective radius.
     """
+    num_pearls = int(num_pearls + 0.5)
     tot_vol = volume(radius, edge_sep, thick_string, num_pearls)
     rad_out = (tot_vol/(4.0/3.0*pi)) ** (1./3.)