Added surface_interpolation tests

MDAnalysis · Jul 22, 2021 · 8206fda · 8206fda
1 parent 70ad891
commit 8206fda
Showing 1 changed file with 35 additions and 3 deletions.
diff --git a/membrane_curvature/tests/test_membrane_curvature.py b/membrane_curvature/tests/test_membrane_curvature.py
@@ -3,7 +3,7 @@
 """
 
 import pytest
-from membrane_curvature.surface import normalized_grid, derive_surface, get_z_surface
+from membrane_curvature.surface import interpolation_by_array, normalized_grid, derive_surface, get_z_surface, surface_interpolation
 from membrane_curvature.curvature import mean_curvature, gaussian_curvature
 import numpy as np
 from numpy.testing import assert_almost_equal
@@ -208,6 +208,39 @@ def test_get_z_surface(x_bin, y_bin, x_range, y_range, expected_surface):
     assert_almost_equal(surface, expected_surface)
 
 
+@pytest.mark.parametrize('dummy_surface, expected_interpolated_surface', [
+    # array 3x3 with all 150 and one nan
+    (np.array(([150., 150., 150.],
+               [150., np.nan, 150.],
+               [150., 150., 150.])),
+     np.full((3, 3), 150.)),
+    # array 4x3 with all 150 and two nans
+    (np.array([[150.,  150, 150.,  150.],
+               [150., np.nan, np.nan,  150.],
+               [150., 150., 150.,  150.]]),
+     np.array([[150., 150,  150.,  150.],
+               [150., 150., 150.,  150.],
+               [150., 150., 150.,  150.]])),
+    # array 4x4 ith all 150 and two nans
+    (np.array([[150., 150,  150.,  150.],
+               [150., np.nan, np.nan,  150.],
+               [150., 130., 140.,  150.],
+               [150., 150., 150.,  150.]]),
+     np.array([[150., 150, 150.,  150.],
+               [150., 140., 145.,  150.],
+               [150., 130., 140.,  150.],
+               [150., 150., 150.,  150.]])),
+    # array 3x3  with lots of nans)
+    (np.array([[np.nan, np.nan, 150.],
+              [150, np.nan, 150.],
+              [np.nan, 150., np.nan]]),
+     np.full((3, 3), 150.))
+])
+def test_surface_interpolation(dummy_surface, expected_interpolated_surface):
+    surface = surface_interpolation(dummy_surface)
+    assert_almost_equal(surface, expected_interpolated_surface)
+
+
 class TestMembraneCurvature(object):
     @pytest.fixture()
     def universe(self):
@@ -297,7 +330,6 @@ def test_analysis_mean(self, universe):
         avg_mean = mc.results.average_mean
         assert_almost_equal(avg_mean, expected_mean)
 
-
     def test_analysis_mean_default_selection(self, universe):
         expected_mean = np.array([[7.50000000e+00,  1.33985392e-01,  2.77315457e-04],
                                   [-2.77315457e-04, -3.53944270e-01, -7.50000000e+00],
@@ -306,4 +338,4 @@ def test_analysis_mean_default_selection(self, universe):
                                n_x_bins=3,
                                n_y_bins=3).run()
         avg_mean = mc.results.average_mean
-        assert_almost_equal(avg_mean, expected_mean)
+        assert_almost_equal(avg_mean, expected_mean)