fix tests

jamesmkrieger · Dec 17, 2024 · 197fcf9 · 197fcf9
1 parent fcb14c3
commit 197fcf9
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Showing 3 changed files with 2 additions and 26 deletions.
diff --git a/prody/tests/datafiles/2k39_all.npy b/prody/tests/datafiles/2k39_all.npy
diff --git a/prody/tests/datafiles/2k39_all2.npy b/prody/tests/datafiles/2k39_all2.npy
diff --git a/prody/tests/proteins/test_insty.py b/prody/tests/proteins/test_insty.py
@@ -30,31 +30,6 @@ def setUp(self):
             self.HPH_INTERACTIONS = parseDatafile('2k39_hph')
             self.HPH_INTERACTIONS2 = parseDatafile('2k39_hph2')
             self.DISU_INTERACTIONS = parseDatafile('2k39_disu')
-
-            self.INTERACTIONS_ALL = InteractionsTrajectory()
-            self.data_all = self.INTERACTIONS_ALL.calcProteinInteractionsTrajectory(self.ATOMS, stop_frame=4, max_proc=2)
-            np.save('test_2k39_all.npy', self.data_all, allow_pickle=True)
-
-            self.data_hbs = calcHydrogenBondsTrajectory(self.ATOMS, stop_frame=4, max_proc=2)
-            np.save('test_2k39_hbs.npy', np.array(self.data_hbs, dtype=object), allow_pickle=True)
-
-            self.data_sbs = calcSaltBridgesTrajectory(self.ATOMS, stop_frame=4, max_proc=2)
-            np.save('test_2k39_sbs.npy', np.array(self.data_sbs, dtype=object), allow_pickle=True)
-
-            self.data_rib = calcRepulsiveIonicBondingTrajectory(self.ATOMS, stop_frame=4, max_proc=2)
-            np.save('test_2k39_rib.npy', np.array(self.data_rib, dtype=object), allow_pickle=True)
-
-            self.data_PiStack = calcPiStackingTrajectory(self.ATOMS, stop_frame=4, max_proc=2)
-            np.save('test_2k39_PiStack.npy', np.array(self.data_PiStack, dtype=object), allow_pickle=True)
-
-            self.data_PiCat = calcPiCationTrajectory(self.ATOMS, stop_frame=4, max_proc=2)
-            np.save('test_2k39_PiCat.npy', np.array(self.data_PiCat, dtype=object), allow_pickle=True)
-
-            self.data_hph = calcHydrophobicTrajectory(self.ATOMS, stop_frame=4, max_proc=2)
-            np.save('test_2k39_hph.npy', np.array(self.data_hph, dtype=object), allow_pickle=True)
-
-            self.data_disu = calcDisulfideBondsTrajectory(self.ATOMS, stop_frame=4, max_proc=2)
-            np.save('test_2k39_disu.npy', np.array(self.data_disu, dtype=object), allow_pickle=True)
 
             self.ATOMS_3O21 = parseDatafile('3o21') # has disulfides & not traj
             self.DISU_INTERACTIONS_3O21 = parseDatafile('3o21_disu')
@@ -64,7 +39,8 @@ def testAllInteractionsCalc(self):
 
         if prody.PY3K:
             self.INTERACTIONS_ALL = InteractionsTrajectory()
-            self.data_all = self.INTERACTIONS_ALL.calcProteinInteractionsTrajectory(self.ATOMS)
+            self.data_all = np.array(self.INTERACTIONS_ALL.calcProteinInteractionsTrajectory(self.ATOMS,
+                                                                                             stop_frame=13))
 
             try:
                 assert_equal(self.data_all, self.ALL_INTERACTIONS2,