clean up TestMITMPRelaxSet.test_write_input

Author: janosh

tests/io/test_lmto.py

@@ -1,7 +1,6 @@
 from __future__ import annotations
 
 import os
-import unittest
 
 import numpy as np
 from numpy.testing import assert_array_equal
@@ -24,7 +23,7 @@
 this_dir = os.path.dirname(os.path.abspath(__file__))
 
 
-class TestCtrl(unittest.TestCase):
+class TestCtrl(PymatgenTest):
     def setUp(self):
         os.chdir(test_dir)
         self.ctrl_bise = LMTOCtrl.from_file(filename="CTRL.BiSe")
@@ -42,10 +41,10 @@ def test_structure(self):
         assert self.ctrl_bise == LMTOCtrl(self.ctrl_bise.structure, header="Bi6Se6, hexagonal")
 
     def test_read_write(self):
-        self.ctrl_bise.write_file(filename="CTRL.tmp")
-        ctrl_tmp = LMTOCtrl.from_file(filename="CTRL.tmp")
-        assert self.ctrl_bise.structure.matches(ctrl_tmp.structure)
-        os.remove("CTRL.tmp")
+        ctrl_path = f"{self.tmp_path}/CTRL.tmp"
+        self.ctrl_bise.write_file(filename=ctrl_path)
+        ctrl_file = LMTOCtrl.from_file(filename=ctrl_path)
+        assert self.ctrl_bise.structure.matches(ctrl_file.structure)
 
 
 class TestCopl(PymatgenTest):

tests/io/test_shengbte.py

@@ -99,7 +99,7 @@ def test_from_dict(self):
     @unittest.skipIf(f90nml is None, "No f90nml")
     def test_MSONable_implementation(self):
         # tests as dict and from dict methods
-        Controlinfromfile = Control.from_file(self.filename)
-        newControlin = Control.from_dict(Controlinfromfile.as_dict())
-        assert newControlin == Controlinfromfile
-        newControlin.to_json()
+        ctrl_from_file = Control.from_file(self.filename)
+        control_from_dict = Control.from_dict(ctrl_from_file.as_dict())
+        assert control_from_dict == ctrl_from_file
+        assert control_from_dict.to_json() == ctrl_from_file.to_json()

tests/io/vasp/test_sets.py

@@ -455,9 +455,9 @@ def test_get_kpoints(self):
         assert kpoints.kpts == [[25]]
         assert kpoints.style == Kpoints.supported_modes.Automatic
 
-        recip_paramset = MPRelaxSet(self.structure, force_gamma=True)
-        recip_paramset.kpoints_settings = {"reciprocal_density": 40}
-        kpoints = recip_paramset.kpoints
+        recip_param_set = MPRelaxSet(self.structure, force_gamma=True)
+        recip_param_set.kpoints_settings = {"reciprocal_density": 40}
+        kpoints = recip_param_set.kpoints
         assert kpoints.kpts == [[2, 4, 5]]
         assert kpoints.style == Kpoints.supported_modes.Gamma
 
@@ -540,24 +540,17 @@ def test_incar_lmaxmix(self):
 
     @skip_if_no_psp_dir
     def test_write_input(self):
-        self.mit_set.write_input(".", make_dir_if_not_present=True)
-        for file in ["INCAR", "KPOINTS", "POSCAR", "POTCAR"]:
-            assert os.path.isfile(file)
-        assert not os.path.isfile("Fe4P4O16.cif")
-
-        self.mit_set.write_input(".", make_dir_if_not_present=True, include_cif=True)
-        assert os.path.isfile("Fe4P4O16.cif")
-        for file in ["INCAR", "KPOINTS", "POSCAR", "POTCAR", "Fe4P4O16.cif"]:
-            os.remove(file)
-
-        self.mit_set.write_input(".", make_dir_if_not_present=True, potcar_spec=True)
-
-        for file in ["INCAR", "KPOINTS", "POSCAR"]:
-            assert os.path.isfile(file)
-        assert not os.path.isfile("POTCAR")
-        assert os.path.isfile("POTCAR.spec")
-        for file in ["INCAR", "KPOINTS", "POSCAR", "POTCAR.spec"]:
-            os.remove(file)
+        vasp_files = {"INCAR", "KPOINTS", "POSCAR", "POTCAR"}
+        self.mit_set.write_input(self.tmp_path)
+        assert {*os.listdir(self.tmp_path)} == vasp_files
+
+        self.mit_set.write_input(self.tmp_path, include_cif=True)
+        assert {*os.listdir(self.tmp_path)} == {*vasp_files, "Fe4P4O16.cif"}
+
+    @skip_if_no_psp_dir
+    def test_write_input_potcar_spec(self):
+        self.mit_set.write_input(self.tmp_path, potcar_spec=True)
+        assert {*os.listdir(self.tmp_path)} == {"INCAR", "KPOINTS", "POSCAR", "POTCAR.spec"}
 
     @skip_if_no_psp_dir
     def test_user_potcar_settings(self):