diff --git a/prody/tests/datafiles/2k39_all.npy b/prody/tests/datafiles/2k39_all.npy index 8378e52e1..e2f33f4cd 100644 Binary files a/prody/tests/datafiles/2k39_all.npy and b/prody/tests/datafiles/2k39_all.npy differ diff --git a/prody/tests/datafiles/2k39_all2.npy b/prody/tests/datafiles/2k39_all2.npy index 8378e52e1..939bc885c 100644 Binary files a/prody/tests/datafiles/2k39_all2.npy and b/prody/tests/datafiles/2k39_all2.npy differ diff --git a/prody/tests/proteins/test_insty.py b/prody/tests/proteins/test_insty.py index 0bc9612ba..7c9e81cd5 100644 --- 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,