Allow to increase verbosity of test. Correct powder pattern tests to avoid uninitialised observed data which gives warnings in valgrind

Author: vincefn

conda-recipe/run_test.py

@@ -1,4 +1,4 @@
 #!/usr/bin/env python
 
 import pyobjcryst.tests
-assert pyobjcryst.tests.test().wasSuccessful()
+assert pyobjcryst.tests.test(verbosity=2).wasSuccessful()

src/pyobjcryst/tests/__init__.py

@@ -63,14 +63,14 @@ def testsuite(pattern=''):
     return suite
 
 
-def test():
+def test(verbosity=1):
     '''Execute all unit tests for the pyobjcryst package.
 
     Returns
     -------
     result : `unittest.TestResult`
     '''
     suite = testsuite()
-    runner = unittest.TextTestRunner()
+    runner = unittest.TextTestRunner(verbosity=verbosity)
     result = runner.run(suite)
     return result

src/pyobjcryst/tests/testpowderpattern.py

@@ -154,6 +154,7 @@ def test_quick_fit(self):
         p.SetWavelength(0.7)
         x = np.linspace(0, 40, 8001)
         p.SetPowderPatternX(np.deg2rad(x))
+        p.SetPowderPatternObs(np.ones_like(x))
         pd = p.AddPowderPatternDiffraction(c)
         pd.SetReflectionProfilePar(ReflectionProfileType.PROFILE_PSEUDO_VOIGT, 1e-6)
         # p.plot(hkl=True)
@@ -169,6 +170,7 @@ def test_peaklist_index(self):
         p.SetWavelength(0.7)
         x = np.linspace(0, 40, 16001)
         p.SetPowderPatternX(np.deg2rad(x))
+        p.SetPowderPatternObs(np.ones_like(x))
         pd = p.AddPowderPatternDiffraction(c)
         pd.SetReflectionProfilePar(ReflectionProfileType.PROFILE_PSEUDO_VOIGT, 1e-7)
         # p.plot(hkl=True)
@@ -194,6 +196,7 @@ def test_spacegroup_explorer(self):
         p.SetWavelength(0.7)
         x = np.linspace(0, 40, 8001)
         p.SetPowderPatternX(np.deg2rad(x))
+        p.SetPowderPatternObs(np.ones_like(x))
         pd = p.AddPowderPatternDiffraction(c)
         pd.SetReflectionProfilePar(ReflectionProfileType.PROFILE_PSEUDO_VOIGT, 1e-6, 0, 0, 0, 0)
         # p.plot(hkl=True)
@@ -224,6 +227,7 @@ def test_update_nbrefl(self):
         p.SetWavelength(1.5)
         x = np.linspace(0, 40, 4000)
         p.SetPowderPatternX(np.deg2rad(x))
+        p.SetPowderPatternObs(np.ones_like(x))
         pd = p.AddPowderPatternDiffraction(c)
         p.GetPowderPatternCalc()
         self.assertEqual(pd.GetNbRefl(), 89)