updated unit_tests

WMD-group · Aug 18, 2023 · 465f4b2 · 465f4b2
1 parent 0970469
commit 465f4b2
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Showing 4 changed files with 11 additions and 9 deletions.
diff --git a/.DS_Store b/.DS_Store
diff --git a/macrodensity/density.py b/macrodensity/density.py
@@ -421,7 +421,7 @@ def density_2_grid(Density: np.ndarray, nx: int, ny: int, nz: int, Charge: bool=
         nz (int): Number of grid points along the z-axis.
         Charge (bool, optional): If True, convert charge density to the number of electrons. Default is False.
         Volume (float, optional): Volume of the grid cell. Used to convert charge density to electrons. Default is 1.
-        Format (str, optional): Format of the density data (e.g., 'VASP', 'GULP'). Default is 'GULP'.
+        Format (str, optional): Format of the density data (e.g., 'VASP', 'GULP'). Default is 'VASP'.
 
     Returns:
         tuple: A tuple containing:

diff --git a/tests/__pycache__/unit_tests.cpython-311.pyc b/tests/__pycache__/unit_tests.cpython-311.pyc
diff --git a/tests/unit_tests.py b/tests/unit_tests.py
@@ -270,10 +270,11 @@ def test_plot_planar_average(self):
         '''Tests the plot_planar_average function'''
         Locpot = pkg_resources.resource_filename(
                     __name__, path_join('../tests', 'LOCPOT.test'))
-        out = md.plot_planar_average(lattice_vector=5.41,input_file=Locpot)[0]
-        self.assertAlmostEqual(out[0][0],0.14555565)
-        self.assertAlmostEqual(out[0][10],4.61454537)
-        self.assertAlmostEqual(out[0][-1],-0.87290696)
+        out = md.plot_planar_average(lattice_vector=5.41,input_file=Locpot)
+        res = out[0]
+        self.assertAlmostEqual(res[0][0],0.14555565)
+        self.assertAlmostEqual(res[0][10],4.61454537)
+        self.assertAlmostEqual(res[0][-1],-0.87290696)
         self.addCleanup(os.remove, 'PlanarAverage.csv')
         self.addCleanup(os.remove, 'PlanarAverage.png')
 
@@ -292,10 +293,11 @@ def test_plot_gulp_potential(self):
         '''Tests the plot_gulp_potential function'''
         gulpcar = pkg_resources.resource_filename(
                     __name__, path_join('../tests', 'gulp.out'))
-        out = md.plot_planar_average(lattice_vector=3.0,input_file=gulpcar)[0]
-        self.assertEqual(out[0][0],-23.16678352)
-        self.assertAlmostEqual(out[0][10],-1.59508152)
-        self.assertEqual(out[0][-1],-23.16678352)
+        out = md.plot_planar_average(lattice_vector=3.0,input_file=gulpcar)
+        res = out[0]
+        self.assertEqual(res[0][0],-23.16678352)
+        self.assertAlmostEqual(res[0][10],-1.59508152)
+        self.assertEqual(res[0][-1],-23.16678352)
         self.addCleanup(os.remove, 'GulpPotential.csv')
         self.addCleanup(os.remove, 'GulpPotential.png')