Merge branch 'fix-tests' of https://github.com/tjni/atomman

tests/plot/test_interpolate.py

@@ -1,20 +1,21 @@
 import pytest
 import numpy as np
 
-from atomman.plot.interpolate_contour import grid_interpolate_2d
+from atomman.plot.interpolate_contour import __grid_interpolate
 
 
-def test_grid_interpolate_2d():
+def test_grid_interpolate():
     x = np.array([0, 0, 1])
     y = np.array([0, 1, 1])
     v = np.array([0, 1, 2])
-    range = [[0, 1], [0, 1]]
+    xlim = (0, 1)
+    ylim = (0, 1)
 
     # extrapolation occurs
-    grid, _, _ = grid_interpolate_2d(x, y, v, range=range)
+    grid = __grid_interpolate(x, y, v, xlim=xlim, ylim=ylim)
     assert np.any(np.isnan(grid))
 
     # fill in extrapolated points
     fill_value = 1234
-    filled_grid, _, _ = grid_interpolate_2d(x, y, v, range=range, fill_value=fill_value)
+    filled_grid = __grid_interpolate(x, y, v, xlim=xlim, ylim=ylim, fill_value=fill_value)
     np.testing.assert_almost_equal(filled_grid[np.isnan(grid)], fill_value)

tests/region/test_plane.py

@@ -7,8 +7,8 @@ def test_isclose():
     plane1 = Plane(normal=[1, 0, 0], point=[1, 0, 0])
     plane2 = Plane(normal=[1.0001, 0, 0], point=[1.0001, 1, 1])
     assert plane1 != plane2
-    assert plane1.isclose(plane2, rtol=1e-4, atol=1e-4)
-    assert plane2.isclose(plane1, rtol=1e-4, atol=1e-4)
+    assert plane1.isclose(plane2, atol=1e-4)
+    assert plane2.isclose(plane1, atol=1e-4)
 
 
 def test_equality():

tests/test_unitconvert.py

@@ -10,27 +10,27 @@
 
 class Test_unitconvert:
     def test_build_unit(self):
-        assert pytest.approx(uc.unit['mm'], 10000000.0)
+        assert pytest.approx(uc.unit['mm']) == 10000000.0
         uc.unit['mm'] = 5253.
-        assert pytest.approx(uc.unit['mm'], 5253.)
+        assert pytest.approx(uc.unit['mm']) == 5253.
         uc.build_unit()
-        assert pytest.approx(uc.unit['mm'], 10000000.0)
+        assert pytest.approx(uc.unit['mm']) == 10000000.0
 
     def test_set_and_get_in_units(self):
         newton = uc.set_in_units(1e5, 'dyn')
-        assert pytest.approx(uc.get_in_units(newton, 'kg*m/s^2'), 1.0)
+        assert pytest.approx(uc.get_in_units(newton, 'kg*m/s^2')) == 1.0
 
     def test_set_literal(self):
         value = uc.set_literal('1.124 nm')
-        assert pytest.approx(value, 11.24)
+        assert pytest.approx(value) == 11.24
 
     def test_scalar_model(self):
         unit = 'mJ/s^2'
         v = 1234.214
         value = uc.set_in_units(v, unit)
         model = uc.model(value, unit)
         value2 = uc.value_unit(model)
-        assert pytest.approx(value, value2)
+        assert pytest.approx(value) == value2
 
     def test_vector_model(self):
         unit = 'mJ/s^2'
@@ -46,4 +46,4 @@ def test_tensor_model(self):
         value = uc.set_in_units(v, unit)
         model = uc.model(value, unit)
         value2 = uc.value_unit(model)
-        assert np.allclose(value, value2)
+        assert np.allclose(value, value2)

tests/tools/test_vect_angle.py

@@ -7,13 +7,13 @@
 
 class Test_vect_angle:
     def test_0(self):
-        assert pytest.approx(vect_angle([1,0,0], [1,0,0]), 0.0)
+        assert pytest.approx(vect_angle([1,0,0], [1,0,0])) == 0.0
 
     def test_180(self):
-        assert pytest.approx(vect_angle([1,0,0], [-1,0,0]), 180.0)
+        assert pytest.approx(vect_angle([1,0,0], [-1,0,0])) == 180.0
 
     def test_90(self):
-        assert pytest.approx(vect_angle([1,0,0], [0,1,0]), 90.0)
+        assert pytest.approx(vect_angle([1,0,0], [0,1,0])) == 90.0
 
     def test_45(self):
-        assert pytest.approx(vect_angle([1,1,0], [1,1,0]), 45.0)
+        assert pytest.approx(vect_angle([1,1,0], [1,0,0])) == 45.0