Move tests folder to top dir level

news/folder.rst

@@ -0,0 +1,23 @@
+**Added:**
+
+* <news item>
+
+**Changed:**
+
+* <news item>
+
+**Deprecated:**
+
+* <news item>
+
+**Removed:**
+
+* <news item>
+
+**Fixed:**
+
+* tests folder at the root of the repo
+
+**Security:**
+
+* <news item>

pyproject.toml

@@ -45,7 +45,7 @@ dirty_template = "{tag}"
 [tool.setuptools.packages.find]
 where = ["src"]  # list of folders that contain the packages (["."] by default)
 include = ["*"]  # package names should match these glob patterns (["*"] by default)
-exclude = ["diffpy.structure.tests*"]  # exclude packages matching these glob patterns (empty by default)
+exclude = []  # exclude packages matching these glob patterns (empty by default)
 namespaces = false  # to disable scanning PEP 420 namespaces (true by default)
 
 [tool.setuptools.dynamic]

src/diffpy/structure/tests/conftest.py → tests/conftest.py

@@ -17,3 +17,13 @@ def user_filesystem(tmp_path):
         json.dump(home_config_data, f)
 
     yield tmp_path
+
+
+@pytest.fixture
+def datafile():
+    """Fixture to dynamically load any test file."""
+
+    def _load(filename):
+        return "tests/testdata/" + filename
+
+    return _load

src/diffpy/structure/tests/test_loadstructure.py → tests/test_loadstructure.py

@@ -5,53 +5,57 @@
 
 import unittest
 
+import pytest
+
 from diffpy.structure import PDFFitStructure, Structure, loadStructure
 from diffpy.structure.structureerrors import StructureFormatError
-from diffpy.structure.tests.testutils import datafile
 
 
 ##############################################################################
 class TestLoadStructure(unittest.TestCase):
+    @pytest.fixture(autouse=True)
+    def prepare_fixture(self, datafile):
+        self.datafile = datafile
 
     def test_xcfg(self):
         """check loading of atomeye xcfg format"""
-        f = datafile("BubbleRaftShort.xcfg")
+        f = self.datafile("BubbleRaftShort.xcfg")
         stru = loadStructure(f)
         self.assertTrue(type(stru) is Structure)
         self.assertRaises(StructureFormatError, loadStructure, f, "xyz")
         return
 
     def test_discus(self):
         """check loading of discus file format"""
-        f = datafile("Ni-discus.stru")
+        f = self.datafile("Ni-discus.stru")
         stru = loadStructure(f)
         self.assertTrue(type(stru) is PDFFitStructure)
         return
 
     def test_cif(self):
         """check loading of CIF file format"""
-        f = datafile("PbTe.cif")
+        f = self.datafile("PbTe.cif")
         stru = loadStructure(f)
         self.assertTrue(isinstance(stru, Structure))
         self.assertFalse(isinstance(stru, PDFFitStructure))
         return
 
     def test_badfile(self):
         """check loading of CIF file format"""
-        f = datafile("Ni-bad.stru")
+        f = self.datafile("Ni-bad.stru")
         self.assertRaises(StructureFormatError, loadStructure, f)
         return
 
     def test_goodkwarg(self):
         """check loading of CIF file and passing of parser keyword argument."""
-        f = datafile("graphite.cif")
+        f = self.datafile("graphite.cif")
         stru = loadStructure(f, eps=1e-10)
         self.assertEqual(8, len(stru))
         return
 
     def test_badkwarg(self):
         """check loading of xyz file format with invalid keyword argument"""
-        f = datafile("bucky.xyz")
+        f = self.datafile("bucky.xyz")
         self.assertRaises(TypeError, loadStructure, f, eps=1e-10)
         return
 

src/diffpy/structure/tests/test_p_cif.py → tests/test_p_cif.py

@@ -19,12 +19,12 @@
 import unittest
 
 import numpy
+import pytest
 
 from diffpy.structure import Structure
 from diffpy.structure.parsers import getParser
 from diffpy.structure.parsers.p_cif import P_cif, getSymOp, leading_float
 from diffpy.structure.structureerrors import StructureFormatError
-from diffpy.structure.tests.testutils import datafile
 
 # ----------------------------------------------------------------------------
 
@@ -65,14 +65,16 @@ def test_getSymOp(self):
 
 
 class TestP_cif(unittest.TestCase):
-
-    pbteciffile = datafile("PbTe.cif")
-    badciffile = datafile("LiCl-bad.cif")
-    graphiteciffile = datafile("graphite.cif")
-    cdsebulkpdffitfile = datafile("CdSe_bulk.stru")
-    teiciffile = datafile("TeI.cif")
-    refciffile = datafile("Ni_ref.cif")
-    places = 6
+    @pytest.fixture(autouse=True)
+    def prepare_fixture(self, datafile):
+        self.datafile = datafile
+        self.pbteciffile = datafile("PbTe.cif")
+        self.badciffile = datafile("LiCl-bad.cif")
+        self.graphiteciffile = datafile("graphite.cif")
+        self.cdsebulkpdffitfile = datafile("CdSe_bulk.stru")
+        self.teiciffile = datafile("TeI.cif")
+        self.refciffile = datafile("Ni_ref.cif")
+        self.places = 6
 
     def setUp(self):
         self.ptest = P_cif()
@@ -240,7 +242,7 @@ def test_eps(self):
 
     def test_unknown_occupancy(self):
         "test CIF file with unknown occupancy data"
-        stru = self.ptest.parseFile(datafile("TeI-unkocc.cif"))
+        stru = self.ptest.parseFile(self.datafile("TeI-unkocc.cif"))
         self.assertTrue(numpy.array_equal(16 * [1], stru.occupancy))
         return
 
@@ -268,7 +270,7 @@ def test_unknown_spacegroup_number(self):
     def test_nosites_cif(self):
         """Test reading of CIF file with no valid sites."""
         ptest = self.ptest
-        stru = ptest.parseFile(datafile("nosites.cif"))
+        stru = ptest.parseFile(self.datafile("nosites.cif"))
         self.assertEqual(0, len(stru))
         self.assertEqual(10.413, stru.lattice.a)
         self.assertEqual(10.413, stru.lattice.b)
@@ -278,14 +280,14 @@ def test_nosites_cif(self):
     def test_badspacegroup_cif(self):
         """Test reading of CIF file with unrecognized space group."""
         ptest = self.ptest
-        filename = datafile("badspacegroup.cif")
+        filename = self.datafile("badspacegroup.cif")
         self.assertRaises(StructureFormatError, ptest.parseFile, filename)
         return
 
     def test_custom_spacegroup_cif(self):
         """Test parsing of nonstandard symops-defined space group."""
         pfile = self.pfile
-        filename = datafile("customsg.cif")
+        filename = self.datafile("customsg.cif")
         pfile.parseFile(filename)
         sg = pfile.spacegroup
         self.assertEqual("CIF data", sg.short_name)
@@ -363,7 +365,7 @@ def test_unknown_aniso(self):
     def test_curly_brace(self):
         "verify loading of a CIF file with unquoted curly brace"
         ptest = self.ptest
-        stru = ptest.parseFile(datafile("curlybrackets.cif"))
+        stru = ptest.parseFile(self.datafile("curlybrackets.cif"))
         self.assertEqual(20, len(stru))
         return