Changeset 232bb12 in sasmodels

Timestamp:

Aug 4, 2017 1:21:11 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:

bb39b4a

Parents:

9f6823b

Message:

tuned random model generation for models

Location:

sasmodels

Files:

• compare.py (modified) (1 diff)
• models/mass_fractal.py (modified) (3 diffs)
• models/mass_surface_fractal.py (modified) (1 diff)
• models/porod.py (modified) (1 diff)

sasmodels/compare.py

@@ -346 +346 @@
             pd_oriented.append(p.name)
         elif p.length_control is not None:
-            n = pars.get(p.length_control, 1)
+            n = int(pars.get(p.length_control, 1) + 0.5)
             pd_volume.extend(p.name+str(k+1) for k in range(n))
         elif p.length > 1:

sasmodels/models/mass_fractal.py

@@ -28 +28 @@
 .. math::
 
-    scale = scale\_factor \times NV^2(\rho_{particle} - \rho_{solvent})^2
+    scale = scale\_factor \times NV^2(\rho_\text{particle} - \rho_\text{solvent})^2
 
 .. math::
@@ -35 +35 @@
 
 where $R$ is the radius of the building block, $D_m$ is the **mass** fractal
-dimension, | \zeta\|  is the cut-off length, $\rho_{solvent}$ is the scattering
-length density of the solvent,
-and $\rho_{particle}$ is the scattering length density of particles.
+dimension, $\zeta$  is the cut-off length, $\rho_\text{solvent}$ is the scattering
+length density of the solvent, and $\rho_\text{particle}$ is the scattering
+length density of particles.
 
 .. note::
 
     The mass fractal dimension ( $D_m$ ) is only
-    valid if $0 < mass\_dim < 6$. It is also only valid over a limited
+    valid if $1 < mass\_dim < 6$. It is also only valid over a limited
     $q$ range (see the reference for details).
 
@@ -92 +92 @@
     radius = 10**np.random.uniform(0.7, 4)
     cutoff_length = 10**np.random.uniform(0.7, 2)*radius
+    # TODO: fractal dimension should range from 1 to 5
     fractal_dim_mass = 2*np.random.beta(3, 4) + 1
     Vf = 10**np.random.uniform(-4, -1)

sasmodels/models/mass_surface_fractal.py

@@ -91 +91 @@
 def random():
     import numpy as np
-    fractal_dim = np.random.uniform(1, 6)
+    fractal_dim = np.random.uniform(0, 6)
     surface_portion = np.random.uniform(0, 1)
     fractal_dim_surf = fractal_dim*surface_portion

sasmodels/models/porod.py

@@ -45 +45 @@
 Iq.vectorized = True  # Iq accepts an array of q values
 
+def random():
+    import numpy as np
+    sld, solvent = np.random.uniform(-0.5, 12, size=2)
+    radius = 10**np.random.uniform(1, 4.7)
+    Vf = 10**np.random.uniform(-3, -1)
+    scale = 1e-4 * Vf * 2*np.pi*(sld-solvent)**2/(3*radius)
+    pars = dict(
+        scale=scale,
+    )
+    return pars
+
 demo = dict(scale=1.5, background=0.5)