Merge pull request #391 from glotzerlab/fix/rotational-invariance-tests

Fix rotational invariance tests on CI
glotzerlab · Aug 20, 2019 · b483a83 · b483a83
2 parents 3b97ede + b6dfcd3
commit b483a83
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Showing 4 changed files with 14 additions and 12 deletions.
diff --git a/.circleci/config.yml b/.circleci/config.yml
@@ -213,6 +213,7 @@ references:
             # Install from and test all wheels
             for PYBIN in /opt/python/*/bin/; do
               "${PYBIN}/python" -m pip install freud_analysis --no-deps --no-index -f ~/ci/freud/wheelhouse
+              "${PYBIN}/python" -m pip install rowan sympy
               cd ~/ci/freud/tests
               "${PYBIN}/python" -m unittest discover . -v
             done
@@ -286,6 +287,7 @@ references:
             for VERSION in ${PY_VERSIONS[@]}; do
               pyenv global ${VERSION}
               pip install freud_analysis --no-deps --no-index -f ~/ci/freud/wheelhouse
+              pip install rowan sympy
               cd ~/ci/freud/tests
               python -m unittest discover . -v
             done

diff --git a/tests/test_order_LocalQl.py b/tests/test_order_LocalQl.py
@@ -140,8 +140,8 @@ def test_rotational_invariance(self):
             quat = rowan.random.rand()
             positions_rotated = rowan.rotate(quat, positions)
             q6.compute(positions_rotated, nlist=nlist)
-            npt.assert_almost_equal(q6.Ql[0], q6_unrotated_order)
-            npt.assert_almost_equal(q6.Ql[0], PERFECT_FCC_Q6)
+            npt.assert_allclose(q6.Ql[0], q6_unrotated_order, rtol=1e-5)
+            npt.assert_allclose(q6.Ql[0], PERFECT_FCC_Q6, rtol=1e-5)
 
 
 class TestLocalQlNear(unittest.TestCase):
@@ -282,8 +282,8 @@ def test_rotational_invariance(self):
             quat = rowan.random.rand()
             positions_rotated = rowan.rotate(quat, positions)
             q6.compute(positions_rotated, nlist=nlist)
-            npt.assert_almost_equal(q6.Ql[0], q6_unrotated_order)
-            npt.assert_almost_equal(q6.Ql[0], PERFECT_FCC_Q6)
+            npt.assert_allclose(q6.Ql[0], q6_unrotated_order, rtol=1e-5)
+            npt.assert_allclose(q6.Ql[0], PERFECT_FCC_Q6, rtol=1e-5)
 
 
 if __name__ == '__main__':

diff --git a/tests/test_order_LocalWl.py b/tests/test_order_LocalWl.py
@@ -144,8 +144,8 @@ def test_rotational_invariance(self):
             quat = rowan.random.rand()
             positions_rotated = rowan.rotate(quat, positions)
             w6.compute(positions_rotated, nlist=nlist)
-            npt.assert_almost_equal(w6.Wl[0], w6_unrotated_order)
-            npt.assert_almost_equal(w6.Wl[0], PERFECT_FCC_W6)
+            npt.assert_allclose(w6.Wl[0], w6_unrotated_order, rtol=1e-5)
+            npt.assert_allclose(w6.Wl[0], PERFECT_FCC_W6, rtol=1e-5)
 
 
 class TestLocalWlNear(unittest.TestCase):
@@ -278,8 +278,8 @@ def test_rotational_invariance(self):
             quat = rowan.random.rand()
             positions_rotated = rowan.rotate(quat, positions)
             w6.compute(positions_rotated, nlist=nlist)
-            npt.assert_almost_equal(w6.Wl[0], w6_unrotated_order)
-            npt.assert_almost_equal(w6.Wl[0], PERFECT_FCC_W6)
+            npt.assert_allclose(w6.Wl[0], w6_unrotated_order, rtol=1e-5)
+            npt.assert_allclose(w6.Wl[0], PERFECT_FCC_W6, rtol=1e-5)
 
 
 if __name__ == '__main__':

diff --git a/tests/test_order_Steinhardt.py b/tests/test_order_Steinhardt.py
@@ -138,13 +138,13 @@ def test_rotational_invariance(self):
 
             # Ensure Q6 is rotationally invariant
             q6.compute(box, positions_rotated, nlist=nlist)
-            npt.assert_almost_equal(q6.order[0], q6_unrotated_order)
-            npt.assert_almost_equal(q6.order[0], PERFECT_FCC_Q6)
+            npt.assert_allclose(q6.order[0], q6_unrotated_order, rtol=1e-5)
+            npt.assert_allclose(q6.order[0], PERFECT_FCC_Q6, rtol=1e-5)
 
             # Ensure W6 is rotationally invariant
             w6.compute(box, positions_rotated, nlist=nlist)
-            npt.assert_almost_equal(w6.order[0], w6_unrotated_order)
-            npt.assert_almost_equal(w6.order[0], PERFECT_FCC_W6)
+            npt.assert_allclose(w6.order[0], w6_unrotated_order, rtol=1e-5)
+            npt.assert_allclose(w6.order[0], PERFECT_FCC_W6, rtol=1e-5)
 
     def test_repr(self):
         comp = freud.order.Steinhardt(1.5, 6)