tests: characteristicfunctions and contribution

Author: sbillinge

tests/test_characteristicfunctions.py

@@ -17,136 +17,135 @@
 import unittest
 
 import numpy
+import pytest
 
 from diffpy.srfit.sas.sasimport import sasimport
-
-from .utils import _msg_nosas, has_sas
+import diffpy.srfit.pdf.characteristicfunctions as cf
 
 # Global variables to be assigned in setUp
 cf = None
 
 # ----------------------------------------------------------------------------
 
 
-@unittest.skipUnless(has_sas, _msg_nosas)
-class TestSASCF(unittest.TestCase):
-
-    def setUp(self):
-        global cf
-        import diffpy.srfit.pdf.characteristicfunctions as cf
-
-        return
-
-    def testSphere(self):
-        radius = 25
-        # Calculate sphere cf from SphereModel
-        SphereModel = sasimport("sas.models.SphereModel").SphereModel
-        model = SphereModel()
-        model.setParam("radius", radius)
-        ff = cf.SASCF("sphere", model)
-        r = numpy.arange(1, 60, 0.1, dtype=float)
-        fr1 = ff(r)
-
-        # Calculate sphere cf analytically
-        fr2 = cf.sphericalCF(r, 2 * radius)
-        diff = fr1 - fr2
-        res = numpy.dot(diff, diff)
-        res /= numpy.dot(fr2, fr2)
-        self.assertAlmostEqual(0, res, 4)
-        return
-
-    def testSpheroid(self):
-        prad = 20.9
-        erad = 33.114
-        # Calculate cf from EllipsoidModel
-        EllipsoidModel = sasimport("sas.models.EllipsoidModel").EllipsoidModel
-        model = EllipsoidModel()
-        model.setParam("radius_a", prad)
-        model.setParam("radius_b", erad)
-        ff = cf.SASCF("spheroid", model)
-        r = numpy.arange(0, 100, 1 / numpy.pi, dtype=float)
-        fr1 = ff(r)
-
-        # Calculate cf analytically
-        fr2 = cf.spheroidalCF(r, erad, prad)
-        diff = fr1 - fr2
-        res = numpy.dot(diff, diff)
-        res /= numpy.dot(fr2, fr2)
-        self.assertAlmostEqual(0, res, 4)
-        return
-
-    def testShell(self):
-        radius = 19.2
-        thickness = 7.8
-        # Calculate cf from VesicleModel
-        VesicleModel = sasimport("sas.models.VesicleModel").VesicleModel
-        model = VesicleModel()
-        model.setParam("radius", radius)
-        model.setParam("thickness", thickness)
-        ff = cf.SASCF("vesicle", model)
-        r = numpy.arange(0, 99.45, 0.1, dtype=float)
-        fr1 = ff(r)
-
-        # Calculate sphere cf analytically
-        fr2 = cf.shellCF(r, radius, thickness)
-        diff = fr1 - fr2
-        res = numpy.dot(diff, diff)
-        res /= numpy.dot(fr2, fr2)
-        self.assertAlmostEqual(0, res, 4)
-        return
-
-    def testCylinder(self):
-        """Make sure cylinder works over different r-ranges."""
-        radius = 100
-        length = 30
-
-        CylinderModel = sasimport("sas.models.CylinderModel").CylinderModel
-        model = CylinderModel()
-        model.setParam("radius", radius)
-        model.setParam("length", length)
-
-        ff = cf.SASCF("cylinder", model)
-
-        r1 = numpy.arange(0, 10, 0.1, dtype=float)
-        r2 = numpy.arange(0, 50, 0.1, dtype=float)
-        r3 = numpy.arange(0, 100, 0.1, dtype=float)
-        r4 = numpy.arange(0, 500, 0.1, dtype=float)
-
-        fr1 = ff(r1)
-        fr2 = ff(r2)
-        fr3 = ff(r3)
-        fr4 = ff(r4)
-
-        d = fr1 - numpy.interp(r1, r2, fr2)
-        res12 = numpy.dot(d, d)
-        res12 /= numpy.dot(fr1, fr1)
-        self.assertAlmostEqual(0, res12, 4)
-
-        d = fr1 - numpy.interp(r1, r3, fr3)
-        res13 = numpy.dot(d, d)
-        res13 /= numpy.dot(fr1, fr1)
-        self.assertAlmostEqual(0, res13, 4)
-
-        d = fr1 - numpy.interp(r1, r4, fr4)
-        res14 = numpy.dot(d, d)
-        res14 /= numpy.dot(fr1, fr1)
-        self.assertAlmostEqual(0, res14, 4)
-
-        d = fr2 - numpy.interp(r2, r3, fr3)
-        res23 = numpy.dot(d, d)
-        res23 /= numpy.dot(fr2, fr2)
-        self.assertAlmostEqual(0, res23, 4)
-
-        d = fr2 - numpy.interp(r2, r4, fr4)
-        res24 = numpy.dot(d, d)
-        res24 /= numpy.dot(fr2, fr2)
-        self.assertAlmostEqual(0, res24, 4)
-
-        d = fr3 - numpy.interp(r3, r4, fr4)
-        res34 = numpy.dot(d, d)
-        res34 /= numpy.dot(fr3, fr3)
-        self.assertAlmostEqual(0, res34, 4)
-        return
+def testSphere(sas_available):
+    if not sas_available:
+        pytest.skip("sas package not available")
+    radius = 25
+    # Calculate sphere cf from SphereModel
+    SphereModel = sasimport("sas.models.SphereModel").SphereModel
+    model = SphereModel()
+    model.setParam("radius", radius)
+    ff = cf.SASCF("sphere", model)
+    r = numpy.arange(1, 60, 0.1, dtype=float)
+    fr1 = ff(r)
+
+    # Calculate sphere cf analytically
+    fr2 = cf.sphericalCF(r, 2 * radius)
+    diff = fr1 - fr2
+    res = numpy.dot(diff, diff)
+    res /= numpy.dot(fr2, fr2)
+    assert res == pytest.approx(0, abs=1e-4)
+    return
+
+def testSpheroid(sas_available):
+    if not sas_available:
+        pytest.skip("sas package not available")
+    prad = 20.9
+    erad = 33.114
+    # Calculate cf from EllipsoidModel
+    EllipsoidModel = sasimport("sas.models.EllipsoidModel").EllipsoidModel
+    model = EllipsoidModel()
+    model.setParam("radius_a", prad)
+    model.setParam("radius_b", erad)
+    ff = cf.SASCF("spheroid", model)
+    r = numpy.arange(0, 100, 1 / numpy.pi, dtype=float)
+    fr1 = ff(r)
+
+    # Calculate cf analytically
+    fr2 = cf.spheroidalCF(r, erad, prad)
+    diff = fr1 - fr2
+    res = numpy.dot(diff, diff)
+    res /= numpy.dot(fr2, fr2)
+    assert res == pytest.approx(0, abs=1e-4)
+    return
+
+def testShell(sas_available):
+    if not sas_available:
+        pytest.skip("sas package not available")
+    radius = 19.2
+    thickness = 7.8
+    # Calculate cf from VesicleModel
+    VesicleModel = sasimport("sas.models.VesicleModel").VesicleModel
+    model = VesicleModel()
+    model.setParam("radius", radius)
+    model.setParam("thickness", thickness)
+    ff = cf.SASCF("vesicle", model)
+    r = numpy.arange(0, 99.45, 0.1, dtype=float)
+    fr1 = ff(r)
+
+    # Calculate sphere cf analytically
+    fr2 = cf.shellCF(r, radius, thickness)
+    diff = fr1 - fr2
+    res = numpy.dot(diff, diff)
+    res /= numpy.dot(fr2, fr2)
+    assert res == pytest.approx(0, abs=1e-4)
+    return
+
+def testCylinder(sas_available):
+    if not sas_available:
+        pytest.skip("sas package not available")
+    """Make sure cylinder works over different r-ranges."""
+    radius = 100
+    length = 30
+
+    CylinderModel = sasimport("sas.models.CylinderModel").CylinderModel
+    model = CylinderModel()
+    model.setParam("radius", radius)
+    model.setParam("length", length)
+
+    ff = cf.SASCF("cylinder", model)
+
+    r1 = numpy.arange(0, 10, 0.1, dtype=float)
+    r2 = numpy.arange(0, 50, 0.1, dtype=float)
+    r3 = numpy.arange(0, 100, 0.1, dtype=float)
+    r4 = numpy.arange(0, 500, 0.1, dtype=float)
+
+    fr1 = ff(r1)
+    fr2 = ff(r2)
+    fr3 = ff(r3)
+    fr4 = ff(r4)
+
+    d = fr1 - numpy.interp(r1, r2, fr2)
+    res12 = numpy.dot(d, d)
+    res12 /= numpy.dot(fr1, fr1)
+    assert res12 == pytest.approx(0, abs=1e-4)
+
+    d = fr1 - numpy.interp(r1, r3, fr3)
+    res13 = numpy.dot(d, d)
+    res13 /= numpy.dot(fr1, fr1)
+    assert res13 == pytest.approx(0, abs=1e-4)
+
+    d = fr1 - numpy.interp(r1, r4, fr4)
+    res14 = numpy.dot(d, d)
+    res14 /= numpy.dot(fr1, fr1)
+    assert res14 == pytest.approx(0, abs=1e-4)
+
+    d = fr2 - numpy.interp(r2, r3, fr3)
+    res23 = numpy.dot(d, d)
+    res23 /= numpy.dot(fr2, fr2)
+    assert res23 == pytest.approx(0, abs=1e-4)
+
+    d = fr2 - numpy.interp(r2, r4, fr4)
+    res24 = numpy.dot(d, d)
+    res24 /= numpy.dot(fr2, fr2)
+    assert res24 == pytest.approx(0, abs=1e-4)
+
+    d = fr3 - numpy.interp(r3, r4, fr4)
+    res34 = numpy.dot(d, d)
+    res34 /= numpy.dot(fr3, fr3)
+    assert res34 == pytest.approx(0, abs=1e-4)
+    return
 
 
 # End of class TestSASCF