TST: Use absolute path names for example data files

libAtoms · Jan 4, 2024 · 24c9a23 · 24c9a23
1 parent cf9041c
commit 24c9a23
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Showing 3 changed files with 9 additions and 5 deletions.
diff --git a/tests/test_bop.py b/tests/test_bop.py
@@ -20,6 +20,8 @@
 # along with this program.  If not, see <http://www.gnu.org/licenses/>.
 #
 
+import os.path
+
 import numpy as np
 
 import pytest
@@ -71,7 +73,7 @@ def test_stress(a0, par):
 
 def test_hessian_divide_by_masses():
     # Test the computation of dynamical matrix
-    atoms = ase.io.read('aSi.cfg')
+    atoms = ase.io.read(f'{os.path.dirname(__file__)}/aSi.cfg')
     masses_n = np.random.randint(1, 10, size=len(atoms))
     atoms.set_masses(masses=masses_n)
     kumagai_potential = kumagai.Kumagai_Comp_Mat_Sci_39_Si

diff --git a/tests/test_neighbours.py b/tests/test_neighbours.py
@@ -41,6 +41,7 @@
 # along with this program.  If not, see <http://www.gnu.org/licenses/>.
 # ======================================================================
 
+import os.path
 import unittest
 
 import numpy as np
@@ -70,7 +71,7 @@ class TestNeighbours(matscipytest.MatSciPyTestCase):
 
     def test_neighbour_list(self):
         for pbc in [True, False, [True, False, True]]:
-            a = io.read('aC.cfg')
+            a = io.read(f'{os.path.dirname(__file__)}/aC.cfg')
             a.set_pbc(pbc)
             j, dr, i, abs_dr, shift = neighbour_list("jDidS", a, 1.85)
 
@@ -90,7 +91,7 @@ def test_neighbour_list(self):
 
     def test_neighbour_list_atoms_outside_box(self):
         for pbc in [True, False, [True, False, True]]:
-            a = io.read('aC.cfg')
+            a = io.read(f'{os.path.dirname(__file__)}/aC.cfg')
             a.set_pbc(pbc)
             a.positions[100, :] += a.cell[0, :]
             a.positions[200, :] += a.cell[1, :]
@@ -243,7 +244,7 @@ def test_wrong_number_of_cutoffs(self):
         self.assertTrue(exception_thrown)
 
     def test_shrink_wrapped_direct_call(self):
-        a = io.read('aC.cfg')
+        a = io.read(f'{os.path.dirname(__file__)}/aC.cfg')
         r = a.positions
         j, dr, i, abs_dr, shift = neighbour_list("jDidS", positions=r,
                                                  cutoff=1.85)

diff --git a/tests/test_ring_statistics.py b/tests/test_ring_statistics.py
@@ -40,6 +40,7 @@
 # along with this program.  If not, see <http://www.gnu.org/licenses/>.
 # ======================================================================
 
+import os.path
 import unittest
 
 import numpy as np
@@ -102,7 +103,7 @@ def test_pbc(self):
         self.assertEqual(len(r), 0)
 
     def test_aC(self):
-        a = ase.io.read('aC.cfg')
+        a = ase.io.read(f'{os.path.dirname(__file__)}/aC.cfg')
         r = ring_statistics(a, 1.85, maxlength=16)
         self.assertArrayAlmostEqual(r, [0,0,0,0,4,813,2678,1917,693,412,209,89,
                                         21,3])