Changeset 3bcd03d in sasmodels

Timestamp:

Mar 17, 2016 12:13:52 PM (9 years ago)

Author:

krzywon

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:

78d3341

Parents:

2352350

Message:

Revert hardsphere model and changed Product model to accept radius_effective instead of effect_radius

Location:

sasmodels

Files:

• models/hardsphere.py (modified) (6 diffs)
• product.py (modified) (2 diffs)

sasmodels/models/hardsphere.py

@@ -7 +7 @@
 the maths needs to be modified (no \Beta(Q) correction yet in sasview).
 
-effect_radius is the effective hard sphere radius.
+radius_effective is the effective hard sphere radius.
 volfraction is the volume fraction occupied by the spheres.
 
@@ -53 +53 @@
         systems. Though strictly the maths needs to be modified -
     which sasview does not do yet.
-    effect_radius is the hard sphere radius
+    radius_effective is the hard sphere radius
     volfraction is the volume fraction occupied by the spheres.
 """
@@ -60 +60 @@
 
 #             ["name", "units", default, [lower, upper], "type","description"],
-parameters = [["effect_radius", "Ang", 50.0, [0, inf], "volume",
+parameters = [["radius_effective", "Ang", 50.0, [0, inf], "volume",
                "effective radius of hard sphere"],
               ["volfraction", "", 0.2, [0, 0.74], "",
@@ -75 +75 @@
       double D,A,B,G,X,X2,X4,S,C,FF,HARDSPH;
 
-      if(fabs(effect_radius) < 1.E-12) {
+      if(fabs(radius_effective) < 1.E-12) {
                HARDSPH=1.0;
                return(HARDSPH);
@@ -84 +84 @@
       A= (1.+2.*volfraction)*D;
       A *=A;
-      X=fabs(q*effect_radius*2.0);
+      X=fabs(q*radius_effective*2.0);
 
       if(X < 5.E-06) {
@@ -147 +147 @@
 # VR defaults to 1.0
 
-demo = dict(effect_radius=200, volfraction=0.2, effect_radius_pd=0.1, effect_radius_pd_n=40)
+demo = dict(radius_effective=200, volfraction=0.2, radius_effective_pd=0.1, radius_effective_pd_n=40)
 oldname = 'HardsphereStructure'
-oldpars = dict(effect_radius="effect_radius",effect_radius_pd="effect_radius_pd",effect_radius_pd_n="effect_radius_pd_n")
+oldpars = dict(radius_effective="effect_radius",radius_effective_pd="effect_radius_pd",radius_effective_pd_n="effect_radius_pd_n")
 # Q=0.001 is in the Taylor series, low Q part, so add Q=0.1, assuming double precision sasview is correct
 tests = [
-        [ {'scale': 1.0, 'background' : 0.0, 'effect_radius' : 50.0, 'volfraction' : 0.2,
-           'effect_radius_pd' : 0}, [0.001,0.1], [0.209128,0.930587]]
+        [ {'scale': 1.0, 'background' : 0.0, 'radius_effective' : 50.0, 'volfraction' : 0.2,
+           'radius_effective_pd' : 0}, [0.001,0.1], [0.209128,0.930587]]
         ]
 # ADDED by: RKH  ON: 16Mar2016  using equations from FISH as better than orig sasview, see notes above. Added Taylor expansions at small Q, 

sasmodels/product.py

@@ -18 +18 @@
 SCALE=0
 BACKGROUND=1
-EFFECT_RADIUS=2
+RADIUS_EFFECTIVE=2
 VOLFRACTION=3
 
@@ -31 +31 @@
     assert s_pars[BACKGROUND].name == 'background'
     # We require structure factors to start with effect radius and volfraction
-    assert s_pars[EFFECT_RADIUS].name == 'effect_radius'
+    assert s_pars[RADIUS_EFFECTIVE].name == 'radius_effective'
     assert s_pars[VOLFRACTION].name == 'volfraction'
     # Combine the parameter sets.  We are skipping the first three