try to support python 3.7

Hekstra-Lab · Jan 20, 2023 · 765cbaf · 765cbaf
1 parent 5087e26
commit 765cbaf
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Showing 2 changed files with 26 additions and 9 deletions.
diff --git a/.github/workflows/Build.yml b/.github/workflows/Build.yml
@@ -16,7 +16,7 @@ jobs:
     strategy:
       fail-fast: false
       matrix:
-        python-version: ["3.8", "3.9", "3.10"]
+        python-version: ["3.7", "3.8", "3.9", "3.10"]
 
     # Skip CI if 'skip ci' is contained in latest commit message
     if: "!contains(github.event.head_commit.message, 'skip ci')"

diff --git a/tests/test_Fmodel.py b/tests/test_Fmodel.py
@@ -52,13 +52,22 @@ def test_calc_Fprotein(data_pdb, data_mtz_exp, data_mtz_fmodel_ksol0, Return):
 
     if Return:
         Fprotein_arr = np.array(Fprotein)
-        assert pearsonr(np.abs(Fprotein_arr),
-                        Fcalc['FMODEL'].to_numpy()).statistic > 0.99
+        try: 
+            assert pearsonr(np.abs(Fprotein_arr),
+                            Fcalc['FMODEL'].to_numpy()).statistic > 0.99
+        except:
+            assert pearsonr(np.abs(Fprotein_arr),
+                            Fcalc['FMODEL'].to_numpy())[0] > 0.99
     else:
         assert Fprotein is None
         Fprotein_arr = np.array(sfcalculator.Fprotein_HKL)
-        assert pearsonr(np.abs(Fprotein_arr),
-                        Fcalc['FMODEL'].to_numpy()).statistic > 0.99
+        try:
+            assert pearsonr(np.abs(Fprotein_arr),
+                            Fcalc['FMODEL'].to_numpy()).statistic > 0.99
+        except:
+            assert pearsonr(np.abs(Fprotein_arr),
+                            Fcalc['FMODEL'].to_numpy())[0] > 0.99
+
 
 
 @pytest.mark.parametrize("Return", [True, False])
@@ -87,13 +96,21 @@ def test_calc_Fsolvent(data_pdb, data_mtz_exp, data_mtz_fmodel_ksol0, data_mtz_f
 
     if Return:
         Fsolvent_arr = np.array(Fsolvent)
-        assert pearsonr(np.abs(Fsolvent_arr), np.abs(
-            Fmask_complex)).statistic > 0.95
+        try:
+            assert pearsonr(np.abs(Fsolvent_arr), np.abs(
+                Fmask_complex)).statistic > 0.95
+        except:
+            assert pearsonr(np.abs(Fsolvent_arr), np.abs(
+                Fmask_complex))[0] > 0.95 
     else:
         assert Fsolvent is None
         Fsolvent_arr = np.array(sfcalculator.Fmask_HKL)
-        assert pearsonr(np.abs(Fsolvent_arr), np.abs(
-            Fmask_complex)).statistic > 0.95
+        try:
+            assert pearsonr(np.abs(Fsolvent_arr), np.abs(
+                Fmask_complex)).statistic > 0.95
+        except:
+            assert pearsonr(np.abs(Fsolvent_arr), np.abs(
+                Fmask_complex))[0] > 0.95 
 
 
 @pytest.mark.parametrize("case", [1, 2])