Changeset d57b06c in sasmodels for sasmodels/models/cylinder.py

Timestamp:

Mar 30, 2019 2:06:15 PM (5 years ago)

Author:

Paul Kienzle <pkienzle@…>

Branches:

master

Children:

be0942c

Parents:

a42b091 (diff), e15a822 (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' into ticket-1263-source-link

File:

• sasmodels/models/cylinder.py (modified) (3 diffs)

sasmodels/models/cylinder.py

@@ -147 +147 @@
 source = ["lib/polevl.c", "lib/sas_J1.c", "lib/gauss76.c", "cylinder.c"]
 have_Fq = True
-effective_radius_type = [
+radius_effective_modes = [
     "excluded volume", "equivalent volume sphere", "radius",
     "half length", "half min dimension", "half max dimension", "half diagonal",
@@ -176 +176 @@
             phi_pd=10, phi_pd_n=5)
 
-# pylint: disable=bad-whitespace, line-too-long
+# Test 1-D and 2-D models
 qx, qy = 0.2 * np.cos(2.5), 0.2 * np.sin(2.5)
-# After redefinition of angles, find new tests values.  Was 10 10 in old coords
+theta, phi = 80.1534480601659, 10.1510817110481  # (10, 10) in sasview 3.x
 tests = [
     [{}, 0.2, 0.042761386790780453],
     [{}, [0.2], [0.042761386790780453]],
-    #  new coords
-    [{'theta':80.1534480601659, 'phi':10.1510817110481}, (qx, qy), 0.03514647218513852],
-    [{'theta':80.1534480601659, 'phi':10.1510817110481}, [(qx, qy)], [0.03514647218513852]],
-    # old coords
-    #[{'theta':10.0, 'phi':10.0}, (qx, qy), 0.03514647218513852],
-    #[{'theta':10.0, 'phi':10.0}, [(qx, qy)], [0.03514647218513852]],
+    [{'theta': theta, 'phi': phi}, (qx, qy), 0.03514647218513852],
+    [{'theta': theta, 'phi': phi}, [(qx, qy)], [0.03514647218513852]],
 ]
-del qx, qy  # not necessary to delete, but cleaner
-
-# Default radius and length
-def calc_volume(radius, length):
-    """Return form volume for cylinder."""
-    return pi*radius**2*length
-def calc_r_effs(radius, length):
-    """Return effective radii for modes 0-7 of cylinder."""
-    return [
+del qx, qy, theta, phi  # not necessary to delete, but cleaner
+
+def _extend_with_reff_tests(radius, length):
+    """Test R_eff and form volume calculations"""
+    # V and Vr are the same for each R_eff mode
+    V = pi*radius**2*length  # shell volume = form volume for solid objects
+    Vr = 1.0  # form:shell volume ratio
+    # Use test value for I(0.2) from above to check Fsq value.  Need to
+    # remove scale and background before testing.
+    q = 0.2
+    scale, background = V, 0.001
+    Fsq = (0.042761386790780453 - background)*scale
+    F = None  # Need target value for <F>
+    # Various values for R_eff, depending on mode
+    r_effs = [
         0.,
         0.5*(0.75*radius*(2.0*radius*length
@@ -208 +210 @@
         np.sqrt(4*radius**2 + length**2)/2.,
     ]
-r_effs = calc_r_effs(parameters[2][2], parameters[3][2])
-cyl_vol = calc_volume(parameters[2][2], parameters[3][2])
-tests.extend([
-    ({'radius_effective_mode': 0}, 0.1, None, None, r_effs[0], cyl_vol, 1.0),
-    ({'radius_effective_mode': 1}, 0.1, None, None, r_effs[1], None, None),
-    ({'radius_effective_mode': 2}, 0.1, None, None, r_effs[2], None, None),
-    ({'radius_effective_mode': 3}, 0.1, None, None, r_effs[3], None, None),
-    ({'radius_effective_mode': 4}, 0.1, None, None, r_effs[4], None, None),
-    ({'radius_effective_mode': 5}, 0.1, None, None, r_effs[5], None, None),
-    ({'radius_effective_mode': 6}, 0.1, None, None, r_effs[6], None, None),
-    ({'radius_effective_mode': 7}, 0.1, None, None, r_effs[7], None, None),
-])
-del r_effs, cyl_vol
-# pylint: enable=bad-whitespace, line-too-long
+    tests.extend([
+        ({'radius_effective_mode': 0}, q, F, Fsq, r_effs[0], V, Vr),
+        ({'radius_effective_mode': 1}, q, F, Fsq, r_effs[1], V, Vr),
+        ({'radius_effective_mode': 2}, q, F, Fsq, r_effs[2], V, Vr),
+        ({'radius_effective_mode': 3}, q, F, Fsq, r_effs[3], V, Vr),
+        ({'radius_effective_mode': 4}, q, F, Fsq, r_effs[4], V, Vr),
+        ({'radius_effective_mode': 5}, q, F, Fsq, r_effs[5], V, Vr),
+        ({'radius_effective_mode': 6}, q, F, Fsq, r_effs[6], V, Vr),
+        ({'radius_effective_mode': 7}, q, F, Fsq, r_effs[7], V, Vr),
+    ])
+
+# Test Reff and volume with default model parameters
+_extend_with_reff_tests(parameters[2][2], parameters[3][2])
+del _extend_with_reff_tests
 
 # ADDED by:  RKH  ON: 18Mar2016 renamed sld's etc