Changeset f942f4d in sasmodels

Timestamp:

Mar 28, 2019 10:23:15 AM (6 years ago)

Author:

Paul Kienzle <pkienzle@…>

Branches:

master, ticket-1257-vesicle-product, ticket_1156, ticket_822_more_unit_tests

Children:

9562dd2, b39bf3b

Parents:

6652522 (diff), 6dccecc (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 branch 'ticket_822_v5_unit_tests' of github.com:sasview/sasmodels into ticket_822_v5_unit_tests

Location:

sasmodels

Files:

• direct_model.py (modified) (2 diffs)
• model_test.py (modified) (2 diffs)
• models/cylinder.py (modified) (3 diffs)

sasmodels/direct_model.py

@@ -59 +59 @@
     """
     mesh = get_mesh(calculator.info, pars, dim=calculator.dim, mono=mono)
-    print("in call_kernel: pars:", list(zip(*mesh))[0])
+    #print("in call_kernel: pars:", list(zip(*mesh))[0])
     call_details, values, is_magnetic = make_kernel_args(calculator, mesh)
     #print("in call_kernel: values:", values)
@@ -118 +118 @@
         active = lambda name: True
 
-    print("in get_mesh: pars:",[p.id for p in parameters.call_parameters])
+    #print("in get_mesh: pars:",[p.id for p in parameters.call_parameters])
     mesh = [_get_par_weights(p, values, active(p.name))
             for p in parameters.call_parameters]

sasmodels/model_test.py

@@ -240 +240 @@
                     s_name = pars.pop('@S')
                     ps_test = [pars] + list(test[1:])
+                    #print("PS TEST PARAMS!!!",ps_test)
                     # build the P@S model
                     s_info = load_model_info(s_name)
-                    #print("in run_all: s_info:", s_info)
                     ps_info = product.make_product_info(self.info, s_info)
                     ps_model = build_model(ps_info, dtype=self.dtype,
                                            platform=self.platform)
                     # run the tests
+                    self.info = ps_model.info
+                    #print("SELF.INFO PARAMS!!!",[p.id for p in self.info.parameters.call_parameters])
+                    #print("PS MODEL PARAMETERS:",[p.id for p in ps_model.info.parameters.call_parameters])
                     results.append(self.run_one(ps_model, ps_test))
 
@@ -397 +400 @@
         if par == product.STRUCTURE_MODE_ID:
             continue
-        if par == "radius_effective":    # test should not need this??
-            continue
         parts = par.split('_pd')
         if len(parts) > 1 and parts[1] not in ("", "_n", "nsigma", "type"):

sasmodels/models/cylinder.py

@@ -110 +110 @@
 ----------------------------
 
-* **Author:** 
-* **Last Modified by:** 
-* **Last Reviewed by:** 
+* **Author:**
+* **Last Modified by:**
+* **Last Reviewed by:**
 * **Source added by :** Steve King **Date:** March 25, 2019
 """
@@ -184 +184 @@
             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
@@ -216 +218 @@
         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([
-#    ({'effective_radius_type': 0}, 0.1, 667.7347318577124, 1.0000, r_effs[0], cyl_vol, 1.0),
-     # first & second None do not work here, replacind 2nd Non by real number gives error also
-#    ({'effective_radius_type': 1}, 0.1, None, None, r_effs[1], None, None),
-#    ({'effective_radius_type': 2}, 0.1, None, None, r_effs[2], None, None),
-#   ({'effective_radius_type': 3}, 0.1, None, None, r_effs[3], None, None),
-#    ({'effective_radius_type': 4}, 0.1, None, None, r_effs[4], None, None),
-#    ({'effective_radius_type': 5}, 0.1, None, None, r_effs[5], None, None),
-#    ({'effective_radius_type': 6}, 0.1, None, None, r_effs[6], None, None),
-#    ({'effective_radius_type': 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