chore: skip characteristic function tests, add fixme to tolerances and characteristicfunctions.py

Author: zmx27

src/diffpy/srfit/pdf/characteristicfunctions.py

@@ -415,6 +415,13 @@ def __call__(self, r):
         #
         # We also have to make a q-spacing small enough to compute out to at
         # least the size of the signal.
+
+        # As of release 3.2.0, these are not working but we hope to have
+        # them working again in a future release.
+        raise NotImplementedError(
+            "calculate_ER() is not implemented in sasmodels"
+        )
+
         dr = min(0.01, r[1] - r[0])
         ed = 2 * self._model.calculate_ER()
 

tests/test_characteristicfunctions.py

@@ -32,8 +32,7 @@
 
 
 def testSphere(sas_available):
-    if not sas_available:
-        pytest.skip("sas package not available")
+    pytest.skip("calculate_ER() not available")
     radius = 25
     # Calculate sphere cf from SphereModel
     SphereModel = find_model("sphere")
@@ -53,8 +52,7 @@ def testSphere(sas_available):
 
 
 def testSpheroid(sas_available):
-    if not sas_available:
-        pytest.skip("sas package not available")
+    pytest.skip("calculate_ER() not available")
     prad = 20.9
     erad = 33.114
     # Calculate cf from EllipsoidModel
@@ -76,8 +74,7 @@ def testSpheroid(sas_available):
 
 
 def testShell(sas_available):
-    if not sas_available:
-        pytest.skip("sas package not available")
+    pytest.skip("calculate_ER() not available")
     radius = 19.2
     thickness = 7.8
     # Calculate cf from VesicleModel
@@ -99,8 +96,7 @@ def testShell(sas_available):
 
 
 def testCylinder(sas_available):
-    if not sas_available:
-        pytest.skip("sas package not available")
+    pytest.skip("calculate_ER() not available")
     """Make sure cylinder works over different r-ranges."""
     radius = 100
     length = 30

tests/test_sas.py

@@ -166,5 +166,7 @@ def testGenerator2(sas_available, datafile):
     y = gen(profile.xobs)
     diff = profile.yobs - y
     res = numpy.dot(diff, diff)
+    # FIXME: go back to default tolerance when we figure out why
+    # the models are not identical
     assert 0 == pytest.approx(res, abs=1e-3)
     return