diff --git a/tests/test_bop.py b/tests/test_bop.py index e13dea53..896584b2 100644 --- a/tests/test_bop.py +++ b/tests/test_bop.py @@ -20,6 +20,8 @@ # along with this program. If not, see . # +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 index a4510b86..b8b354d8 100644 --- a/tests/test_neighbours.py +++ b/tests/test_neighbours.py @@ -41,6 +41,7 @@ # along with this program. If not, see . # ====================================================================== +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 index e16c6895..699e23b6 100644 --- a/tests/test_ring_statistics.py +++ b/tests/test_ring_statistics.py @@ -40,6 +40,7 @@ # along with this program. If not, see . # ====================================================================== +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])