Revert version.py, add tests

sbillinge · Feb 27, 2024 · Jul 4, 2023 · Jul 5, 2023 · Jul 5, 2023 · Jul 6, 2023
commit 69c154436c0ce734960489ad14071f2c31bd219d
diff --git a/diffpy/pdfmorph/tests/test_morphsequence.py b/diffpy/pdfmorph/tests/test_morphsequence.py
@@ -14,8 +14,8 @@
 class TestMorphSequence(unittest.TestCase):
     def setUp(self):
         self.parser = create_option_parser()
-        filenames = ["174K.gr", "180K.gr", "186K.gr", "192K.gr", "198K.gr", "204K.gr", "210K.gr"]
-        (self.opts, pargs) = self.parser.parse_args(["--scale", "1", "--stretch", "0", "-n"])
+        filenames = ["g_174K.gr", "f_180K.gr", "e_186K.gr", "d_192K.gr", "c_198K.gr", "b_204K.gr", "a_210K.gr"]
+        (self.opts, pargs) = self.parser.parse_args(["--scale", "1", "--stretch", "0", "-n", "--temperature"])
         self.testfiles = []
         for filename in filenames:
             self.testfiles.append(testsequence_dir.joinpath(filename))

diff --git a/diffpy/pdfmorph/tests/test_tools.py b/diffpy/pdfmorph/tests/test_tools.py
@@ -8,10 +8,13 @@
 import unittest
 import numpy
 
+from pathlib import Path
+
 # useful variables
 thisfile = locals().get('__file__', 'file.py')
 tests_dir = os.path.dirname(os.path.abspath(thisfile))
 testdata_dir = os.path.join(tests_dir, 'testdata')
+testsequence_dir = os.path.join(testdata_dir, 'testsequence')
 
 import diffpy.pdfmorph.tools as tools
 
@@ -41,10 +44,42 @@ def test_estimateScale(self):
         return
 
     def test_nn_value(self):
-        pass
+        import random
+
+        # Values with 6 and 7 decimals (limit of assertAlmostEqual)
+        test_values = [10.0000001, 10.00000001, 0.9999999, 0.99999999]
+
+        # Random values
+        for i in range(100):
+            test_values.append(random.uniform(0, 65535))
+
+        # Check positive and negative
+        for value in test_values:
+            self.assertAlmostEqual(tools.nn_value(value, name=None), abs(value))
+            self.assertAlmostEqual(tools.nn_value(-value, name=None), abs(-value))
 
     def test_temperature_sort(self):
-        pass
+        sequence_files = [*os.listdir(testsequence_dir)]
+
+        # Fisher-Yates randomization
+        import random
+        length = len(sequence_files)
+        for i in range(length - 1, 0, -1):
+            j = random.randint(0, i)
+            sequence_files[i], sequence_files[j] = sequence_files[j], sequence_files[i]
+
+        # Prepare and run through temperature_sort
+        path_sequence = []
+        for file in sequence_files:
+            path_sequence.append(Path(file))
+        sorted_path_sequence = tools.temperature_sort(path_sequence)
+        sorted_sequence = []
+        for path in sorted_path_sequence:
+            sorted_sequence.append(path.name)
+
+        # Temperature sort should produce same result as alphanumerical if leading character is removed
+        sequence_files.sort(key=lambda entry: entry[2:])
+        assert sequence_files == sorted_sequence
 
 
 # End of class TestRoutines

diff --git a/...morph/tests/testdata/testsequence/210K.gr → ...rph/tests/testdata/testsequence/a_210K.gr b/...morph/tests/testdata/testsequence/210K.gr → ...rph/tests/testdata/testsequence/a_210K.gr
diff --git a/...morph/tests/testdata/testsequence/204K.gr → ...rph/tests/testdata/testsequence/b_204K.gr b/...morph/tests/testdata/testsequence/204K.gr → ...rph/tests/testdata/testsequence/b_204K.gr
diff --git a/...morph/tests/testdata/testsequence/198K.gr → ...rph/tests/testdata/testsequence/c_198K.gr b/...morph/tests/testdata/testsequence/198K.gr → ...rph/tests/testdata/testsequence/c_198K.gr
diff --git a/...morph/tests/testdata/testsequence/192K.gr → ...rph/tests/testdata/testsequence/d_192K.gr b/...morph/tests/testdata/testsequence/192K.gr → ...rph/tests/testdata/testsequence/d_192K.gr
diff --git a/...morph/tests/testdata/testsequence/186K.gr → ...rph/tests/testdata/testsequence/e_186K.gr b/...morph/tests/testdata/testsequence/186K.gr → ...rph/tests/testdata/testsequence/e_186K.gr
diff --git a/...morph/tests/testdata/testsequence/180K.gr → ...rph/tests/testdata/testsequence/f_180K.gr b/...morph/tests/testdata/testsequence/180K.gr → ...rph/tests/testdata/testsequence/f_180K.gr
diff --git a/...morph/tests/testdata/testsequence/174K.gr → ...rph/tests/testdata/testsequence/g_174K.gr b/...morph/tests/testdata/testsequence/174K.gr → ...rph/tests/testdata/testsequence/g_174K.gr
diff --git a/diffpy/pdfmorph/tools.py b/diffpy/pdfmorph/tools.py
@@ -122,11 +122,12 @@ def nn_value(val, name):
 
 
 def temperature_sort(filenames):
-    # Sort files (in list filenames) ending in _#K.gr/_#K.cgr by # rather than alphabetical
+    # Sort files (whose paths are contained in filenames) ending in _###K.gr/_###K.cgr by ###
     for idx in range(len(filenames)):
-        s_index = filenames[idx].rfind("_")  # Start of temperature value
-        e_index = filenames[idx].rfind("K")  # End of temperature value
-        temp = float(filenames[s_index + 1, e_index])
+        filename = filenames[idx].name
+        s_index = filename.rfind("_")  # Start of temperature value
+        e_index = filename.rfind("K")  # End of temperature value
+        temp = float(filename[s_index + 1: e_index])
         filenames[idx] = [filenames[idx], temp]
     filenames.sort(key=lambda entry: entry[1])
     return [entry[0] for entry in filenames]
diff --git a/diffpy/pdfmorph/version.py b/diffpy/pdfmorph/version.py
@@ -16,10 +16,11 @@
 """Definition of __version__ and __date__ for diffpy.pdfmorph.
 """
 
+
 # obtain version information
-from importlib_metadata import version
+from pkg_resources import get_distribution
 
-__version__ = version('diffpy.pdfmorph')
+__version__ = get_distribution('diffpy.pdfmorph').version
 
 # we assume that tag_date was used and __version__ ends in YYYYMMDD
 __date__ = __version__[-8:-4] + '-' + __version__[-4:-2] + '-' + __version__[-2:]