Changeset 790bcc4c in sasmodels

Timestamp:

Jan 21, 2016 2:47:29 AM (9 years ago)

Author:

piotr

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:

3a45c2c, 55b283e8

Parents:

9c461c7 (diff), 6458608 (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

Message:

Merge remote-tracking branch 'origin/master'

Location:

sasmodels

Files:

• compare_many.py (modified) (1 diff)
• convert.py (modified) (1 diff)
• models/img/peak_lorentz_1d.jpg (added)
• models/peak_lorentz.py (added)
• models/ellipsoid.c (modified) (1 diff)
• models/ellipsoid.py (modified) (1 diff)
• models/lib/J1c.c (deleted)
• models/lib/sph_j1c.c (added)
• models/mass_fractal.c (modified) (2 diffs)
• models/mass_fractal.py (modified) (3 diffs)
• models/mass_surface_fractal.py (modified) (1 diff)
• models/sphere.py (modified) (2 diffs)
• models/surface_fractal.c (modified) (1 diff)
• models/surface_fractal.py (modified) (1 diff)
• models/triaxial_ellipsoid.c (modified) (1 diff)
• models/triaxial_ellipsoid.py (modified) (1 diff)

sasmodels/compare_many.py

@@ -164 +164 @@
     model = sys.argv[1]
     if not (model in MODELS) and (model != "all"):
-        print('Bad model %s.  Use "all" or one of:')
+        print('Bad model %s.  Use "all" or one of:'%model)
         print_models()
         sys.exit(1)

sasmodels/convert.py

@@ -75 +75 @@
     for new, old in mapping.items():
         for pd, dot in PD_DOT:
-            if old+pd == new+dot:
+            if old and old+pd == new+dot:
                 continue
             if new+pd in newpars:

sasmodels/models/ellipsoid.c

@@ -10 +10 @@
     const double u = q*requatorial*sqrt(1.0
                    + sin_alpha*sin_alpha*(ratio*ratio - 1.0));
-    const double f = J1c(u);
+    const double f = sph_j1c(u);
 
     return f*f;

sasmodels/models/ellipsoid.py

@@ -152 +152 @@
              ]
 
-source = ["lib/J1.c", "lib/J1c.c", "lib/gauss76.c", "ellipsoid.c"]
+source = ["lib/J1.c", "lib/sph_j1c.c", "lib/gauss76.c", "ellipsoid.c"]
 
 def ER(rpolar, requatorial):

sasmodels/models/mass_fractal.c

@@ -17 +17 @@
           double cutoff_length)
 {
-
-    //calculate P(q) for the spherical subunits; not normalized
-    //double pq = pow((3.0*(sin(q*radius) - q*radius*cos(q*radius))/pow((q*radius),3)),2);
-    double pq = J1c(q*radius);
-
-    //pq = 1.0;
+    //calculate P(q)
+    double pq = sph_j1c(q*radius);
+    pq = pq*pq;
 
     //calculate S(q)
@@ -30 +27 @@
     sq /= pow((1.0 + (q*cutoff_length)*(q*cutoff_length)),(mmo/2.0));
     sq /= q;
-
-    //sq = 1.0;
 
     //combine and return

sasmodels/models/mass_fractal.py

@@ -80 +80 @@
 
 #             ["name", "units", default, [lower, upper], "type","description"],
-parameters = [["radius",        "Ang",  10.0, [0.0, inf], "",
-               "Particle radius"],
-              ["mass_dim",      "",      1.9, [1.0, 6.0],   "",
-               "Mass fractal dimension"],
-              ["cutoff_length", "Ang", 100.0, [0.0, inf], "",
-               "Cut-off length"],
+parameters = [["radius",        "Ang",  10.0, [0.0, inf], "", "Particle radius"],
+              ["mass_dim",      "",      1.9, [1.0, 6.0], "", "Mass fractal dimension"],
+              ["cutoff_length", "Ang", 100.0, [0.0, inf], "", "Cut-off length"],
               ]
 
 
-source = ["lib/J1c.c", "lib/lanczos_gamma.c", "mass_fractal.c"]
+source = ["lib/sph_j1c.c", "lib/lanczos_gamma.c", "mass_fractal.c"]
 
 demo = dict(scale=1, background=0,
@@ -104 +101 @@
            'mass_dim':      3.3,
            'cutoff_length': 1.0,
-           }, 0.001, 2.68342996226],
+           }, 0.5, 1.29016774904],
 
          [{'radius':        1.0,
@@ -116 +113 @@
            'cutoff_length': 1.0,
            'scale':        10.0,
-           }, 0.051, 11.6258202095],
+           }, 0.051, 11.6227966145],
          ]

sasmodels/models/mass_surface_fractal.py

@@ -91 +91 @@
 
 
-source = ["lib/J1c.c", "mass_surface_fractal.c"]
+source = ["mass_surface_fractal.c"]
 
 demo = dict(scale=1, background=0,

sasmodels/models/sphere.py

@@ -78 +78 @@
              ]
 
-source = ["lib/J1c.c"]
+source = ["lib/sph_j1c.c"]
 
 # No volume normalization despite having a volume parameter
@@ -88 +88 @@
 Iq = """
     const double qr = q*radius;
-    const double bes = J1c(qr);
+    const double bes = sph_j1c(qr);
     const double fq = bes * (sld - solvent_sld) * form_volume(radius);
     return 1.0e-4*fq*fq;

sasmodels/models/surface_fractal.c

@@ -21 +21 @@
     //pq = pow((3.0*(sin(q*radius) - q*radius*cos(q*radius))/pow((q*radius),3)),2);
 
-    pq = J1c(q*radius);
+    pq = sph_j1c(q*radius);
     pq = pq*pq;
 

sasmodels/models/surface_fractal.py

@@ -90 +90 @@
 
 
-source = ["lib/J1c.c", "lib/lanczos_gamma.c", "surface_fractal.c"]
+source = ["lib/sph_j1c.c", "lib/lanczos_gamma.c", "surface_fractal.c"]
 
 demo = dict(scale=1, background=0,

sasmodels/models/triaxial_ellipsoid.c

@@ -36 +36 @@
             const double y = 0.5*(Gauss76Z[j] + 1.0);
             const double t = q*sqrt(acosx2 + bsinx2*(1.0-y*y) + c2*y*y);
-            const double fq = J1c(t);
+            const double fq = sph_j1c(t);
             inner += Gauss76Wt[j] * fq * fq ;
         }

sasmodels/models/triaxial_ellipsoid.py

@@ -117 +117 @@
              ]
 
-source = ["lib/J1.c", "lib/J1c.c", "lib/gauss76.c", "triaxial_ellipsoid.c"]
+source = ["lib/J1.c", "lib/sph_j1c.c", "lib/gauss76.c", "triaxial_ellipsoid.c"]
 
 def ER(req_minor, req_major, rpolar):