Don't needlessly inherit from unittest.TestCase

tests/ansible/test_interpreter.py

@@ -1,6 +1,4 @@
-"""
-Created on Jun 1, 2012
-"""
+"""Created on Jun 1, 2012."""
 
 
 __author__ = "Shyue Ping Ong"
@@ -10,15 +8,14 @@
 __email__ = "[email protected]"
 __date__ = "Jun 1, 2012"
 
-import unittest
 
 import pytest
 
 from custodian.ansible.actions import FileActions
 from custodian.ansible.interpreter import Modder
 
 
-class ModderTest(unittest.TestCase):
+class TestModder:
     def test_dict_modify(self):
         modder = Modder()
         dct = {"Hello": "World"}
@@ -159,8 +156,3 @@ def as_dict(self):
     @staticmethod
     def from_dict(dct):
         return MyObject(dct["b"]["a"])
-
-
-if __name__ == "__main__":
-    # import sys;sys.argv = ['', 'Test.testName']
-    unittest.main()

tests/feff/test_jobs.py

@@ -1,12 +1,4 @@
-__author__ = "Chen Zheng"
-__copyright__ = "Copyright 2012, The Materials Project"
-__version__ = "0.1"
-__maintainer__ = "Chen Zheng"
-__email__ = "[email protected]"
-__date__ = "Oct 18, 2017"
-
 import os
-import unittest
 
 from monty.os import cd
 from monty.tempfile import ScratchDir
@@ -15,33 +7,41 @@
 from custodian import TEST_FILES
 from custodian.feff.jobs import FeffJob
 
+__author__ = "Chen Zheng"
+__copyright__ = "Copyright 2012, The Materials Project"
+__version__ = "0.1"
+__maintainer__ = "Chen Zheng"
+__email__ = "[email protected]"
+__date__ = "Oct 18, 2017"
+
 TEST_DIR = f"{TEST_FILES}/feff_unconverged"
 
 
-class FeffJobTest(unittest.TestCase):
-    def test_to_from_dict(self):
-        f = FeffJob("hello")
-        f2 = FeffJob.from_dict(f.as_dict())
-        assert type(f) == type(f2)
-        assert f2.feff_cmd == "hello"
-
-    def test_setup(self):
-        with cd(TEST_DIR), ScratchDir(".", copy_from_current_on_enter=True):
-            f = FeffJob("hello", backup=True)
-            f.setup()
-
-            parameter = Tags.from_file("feff.inp")
-            parameter_orig = Tags.from_file("feff.inp.orig")
-            assert parameter == parameter_orig
-
-            atom = Atoms.cluster_from_file("feff.inp")
-            atom_origin = Atoms.cluster_from_file("feff.inp.orig")
-            assert atom == atom_origin
-
-    def test_postprocess(self):
-        with cd(TEST_DIR), ScratchDir(".", copy_from_current_on_enter=True):
-            f = FeffJob("hello", backup=True, gzipped=True)
-            f.postprocess()
-            assert os.path.exists("feff_out.1.tar.gz")
-            f.postprocess()
-            assert os.path.exists("feff_out.2.tar.gz")
+def test_to_from_dict():
+    f = FeffJob("hello")
+    f2 = FeffJob.from_dict(f.as_dict())
+    assert type(f) == type(f2)
+    assert f2.feff_cmd == "hello"
+
+
+def test_setup():
+    with cd(TEST_DIR), ScratchDir(".", copy_from_current_on_enter=True):
+        f = FeffJob("hello", backup=True)
+        f.setup()
+
+        parameter = Tags.from_file("feff.inp")
+        parameter_orig = Tags.from_file("feff.inp.orig")
+        assert parameter == parameter_orig
+
+        atom = Atoms.cluster_from_file("feff.inp")
+        atom_origin = Atoms.cluster_from_file("feff.inp.orig")
+        assert atom == atom_origin
+
+
+def test_postprocess():
+    with cd(TEST_DIR), ScratchDir(".", copy_from_current_on_enter=True):
+        f = FeffJob("hello", backup=True, gzipped=True)
+        f.postprocess()
+        assert os.path.exists("feff_out.1.tar.gz")
+        f.postprocess()
+        assert os.path.exists("feff_out.2.tar.gz")

tests/lobster/test_handlers.py

@@ -1,13 +1,12 @@
 import os
-import unittest
 
 from custodian import TEST_FILES
 from custodian.lobster.handlers import ChargeSpillingValidator, EnoughBandsValidator, LobsterFilesValidator
 
 test_files_lobster = f"{TEST_FILES}/lobster/lobsterouts"
 
 
-class TestChargeSpillingValidator(unittest.TestCase):
+class TestChargeSpillingValidator:
     def test_check_and_correct(self):
         v = ChargeSpillingValidator(output_filename=f"{test_files_lobster}/lobsterout.normal")
         assert not v.check()
@@ -31,7 +30,7 @@ def test_as_dict(self):
         assert isinstance(v2, ChargeSpillingValidator)
 
 
-class TestLobsterFilesValidator(unittest.TestCase):
+class TestLobsterFilesValidator:
     def test_check_and_correct_1(self):
         os.chdir(test_files_lobster)
         v = LobsterFilesValidator()
@@ -55,7 +54,7 @@ def test_as_dict(self):
         assert isinstance(v2, LobsterFilesValidator)
 
 
-class TestEnoughBandsValidator(unittest.TestCase):
+class TestEnoughBandsValidator:
     def test_check_and_correct(self):
         v = EnoughBandsValidator(output_filename=f"{test_files_lobster}/lobsterout.normal")
         assert not v.check()

tests/lobster/test_jobs.py

@@ -1,6 +1,5 @@
 import os
 import shutil
-import unittest
 
 from monty.os import cd
 from monty.tempfile import ScratchDir
@@ -11,7 +10,7 @@
 test_files_lobster2 = f"{TEST_FILES}/lobster/lobsterins"
 test_files_lobster3 = f"{TEST_FILES}/lobster/vasp_lobster_output"
 
-VASP_OUTPUT_FILES = [
+VASP_OUTPUT_FILES = (
     "OUTCAR",
     "vasprun.xml",
     "CHG",
@@ -30,11 +29,11 @@
     "REPORT",
     "WAVECAR",
     "XDATCAR",
-]
+)
 
-LOBSTERINPUT_FILES = ["lobsterin"]
+LOBSTERINPUT_FILES = ("lobsterin",)
 
-LOBSTER_FILES = [
+LOBSTER_FILES = (
     "lobsterin",
     "lobsterin.orig",
     "lobsterout",
@@ -53,12 +52,12 @@
     "ICOBILIST.lobster",
     "COBICAR.lobster",
     "DOSCAR.LSO.lobster",
-]
+)
 
-FW_FILES = ["custodian.json", "FW.json", "FW_submit.script"]
+FW_FILES = ("custodian.json", "FW.json", "FW_submit.script")
 
 
-class LobsterJobTest(unittest.TestCase):
+class TestLobsterJob:
     """Similar to VaspJobTest. Omit test of run."""
 
     def test_to_from_dict(self):
@@ -87,13 +86,13 @@ def test_postprocess(self):
                 shutil.copy("lobsterin", "lobsterin.orig")
                 v = LobsterJob("hello", gzipped=True, add_files_to_gzip=VASP_OUTPUT_FILES)
                 v.postprocess()
-                for file in VASP_OUTPUT_FILES + LOBSTER_FILES + FW_FILES:
+                for file in (*VASP_OUTPUT_FILES, *LOBSTER_FILES, *FW_FILES):
                     filegz = file + ".gz"
                     assert os.path.exists(filegz)
 
             with ScratchDir(".", copy_from_current_on_enter=True):
                 shutil.copy("lobsterin", "lobsterin.orig")
                 v = LobsterJob("hello", gzipped=False, add_files_to_gzip=VASP_OUTPUT_FILES)
                 v.postprocess()
-                for file in VASP_OUTPUT_FILES + LOBSTER_FILES + FW_FILES:
+                for file in (*VASP_OUTPUT_FILES, *LOBSTER_FILES, *FW_FILES):
                     assert os.path.exists(file)

tests/nwchem/test_handlers.py

@@ -1,6 +1,5 @@
 import os
 import shutil
-import unittest
 from glob import glob
 
 from custodian import TEST_FILES
@@ -14,18 +13,17 @@
 __date__ = "6/18/13"
 
 
-class NwchemErrorHandlerTest(unittest.TestCase):
-    def test_check_correct(self):
-        os.chdir(f"{TEST_FILES}/nwchem")
-        shutil.copy("C1N1Cl1_1.nw", "C1N1Cl1_1.nw.orig")
-        handler = NwchemErrorHandler(output_filename="C1N1Cl1_1.nwout")
-        handler.check()
-        handler.correct()
-        shutil.move("C1N1Cl1_1.nw.orig", "C1N1Cl1_1.nw")
-        shutil.copy("Li1_1.nw", "Li1_1.nw.orig")
-        handler = NwchemErrorHandler(output_filename="Li1_1.nwout")
-        handler.check()
-        handler.correct()
-        shutil.move("Li1_1.nw.orig", "Li1_1.nw")
-        for f in glob("error.*.tar.gz"):
-            os.remove(f)
+def test_check_correct():
+    os.chdir(f"{TEST_FILES}/nwchem")
+    shutil.copy("C1N1Cl1_1.nw", "C1N1Cl1_1.nw.orig")
+    handler = NwchemErrorHandler(output_filename="C1N1Cl1_1.nwout")
+    handler.check()
+    handler.correct()
+    shutil.move("C1N1Cl1_1.nw.orig", "C1N1Cl1_1.nw")
+    shutil.copy("Li1_1.nw", "Li1_1.nw.orig")
+    handler = NwchemErrorHandler(output_filename="Li1_1.nwout")
+    handler.check()
+    handler.correct()
+    shutil.move("Li1_1.nw.orig", "Li1_1.nw")
+    for f in glob("error.*.tar.gz"):
+        os.remove(f)

tests/qchem/test_handlers.py

@@ -24,7 +24,7 @@
 
 
 TEST_DIR = f"{TEST_FILES}/qchem/new_test_files"
-SCR_DIR = os.path.join(TEST_DIR, "scratch")
+SCR_DIR = f"{TEST_DIR}/scratch"
 CWD = os.getcwd()
 
 

tests/qchem/test_job_handler_interaction.py

@@ -23,7 +23,7 @@
 __date__ = "6/3/22"
 
 TEST_DIR = f"{TEST_FILES}/qchem/new_test_files"
-SCR_DIR = os.path.join(TEST_DIR, "scratch")
+SCR_DIR = f"{TEST_DIR}/scratch"
 CWD = os.getcwd()