From 5e58c2034800f3768ef037d9e8aa4b5df381f639 Mon Sep 17 00:00:00 2001 From: James Krieger Date: Tue, 17 Dec 2024 18:26:51 +0000 Subject: [PATCH] revert stop_frame on testing types --- prody/tests/proteins/test_insty.py | 18 +++++++++--------- 1 file changed, 9 insertions(+), 9 deletions(-) diff --git a/prody/tests/proteins/test_insty.py b/prody/tests/proteins/test_insty.py index cc3c07d16..029ff6a85 100644 --- a/prody/tests/proteins/test_insty.py +++ b/prody/tests/proteins/test_insty.py @@ -73,7 +73,7 @@ def testHydrogenBonds(self): order can be also different in the interactions""" if prody.PY3K: - data_test = calcHydrogenBondsTrajectory(self.ATOMS, stop_frame=13) + data_test = calcHydrogenBondsTrajectory(self.ATOMS) assert_equal(sorted([i[-1][-1] for i in data_test]), sorted([i[-1][-1] for i in self.HBS_INTERACTIONS]), 'failed to get correct hydrogen bonds') @@ -81,7 +81,7 @@ def testSaltBridgesCalc(self): """Test for salt bridges without saving and loading.""" if prody.PY3K: - self.data_sbs = calcSaltBridgesTrajectory(self.ATOMS, stop_frame=13) + self.data_sbs = calcSaltBridgesTrajectory(self.ATOMS) assert_equal(sorted([i[-1][-1] for i in self.data_sbs]), sorted([i[-1][-1] for i in self.SBS_INTERACTIONS]), 'failed to get correct salt bridges') @@ -90,7 +90,7 @@ def testSaltBridgesSave(self): """Test for salt bridges with saving and loading (one type with results).""" if prody.PY3K: - self.data_sbs = calcSaltBridgesTrajectory(self.ATOMS, stop_frame=13) + self.data_sbs = calcSaltBridgesTrajectory(self.ATOMS) np.save('test_2k39_sbs.npy', np.array(self.data_sbs, dtype=object), allow_pickle=True) @@ -103,7 +103,7 @@ def testRepulsiveIonicBonding(self): """Test for repulsive ionic bonding.""" if prody.PY3K: - data_test = calcRepulsiveIonicBondingTrajectory(self.ATOMS, stop_frame=13) + data_test = calcRepulsiveIonicBondingTrajectory(self.ATOMS) assert_equal(sorted([i[-1][-1] for i in data_test if len(i) > 0]), sorted([i[-1][-1] for i in self.RIB_INTERACTIONS if len(i) > 0]), 'failed to get correct repulsive ionic bonding') @@ -111,7 +111,7 @@ def testPiStacking(self): """Test for pi-stacking interactions.""" if prody.PY3K: - data_test = calcPiStackingTrajectory(self.ATOMS, stop_frame=13) + data_test = calcPiStackingTrajectory(self.ATOMS) assert_equal(sorted([i[-1][-1] for i in data_test if len(i) > 0]), sorted([i[-1][-1] for i in self.PISTACK_INTERACTIONS if len(i) > 0]), 'failed to get correct pi-stacking interactions') @@ -119,7 +119,7 @@ def testPiCation(self): """Test for pi-stacking interactions.""" if prody.PY3K: - data_test = calcPiCationTrajectory(self.ATOMS, stop_frame=13) + data_test = calcPiCationTrajectory(self.ATOMS) assert_equal(sorted([i[-1][-1] for i in data_test if len(i) > 0]), sorted([i[-1][-1] for i in self.PICAT_INTERACTIONS if len(i) > 0]), 'failed to get correct pi-cation interactions') @@ -128,7 +128,7 @@ def testHydrophobicInteractions(self): """Test for hydrophobic interactions.""" if prody.PY3K: - data_test = calcHydrophobicTrajectory(self.ATOMS, stop_frame=13) + data_test = calcHydrophobicTrajectory(self.ATOMS) try: assert_equal(sorted([i[-1][-1] for i in data_test]), sorted([i[-1][-1] for i in self.HPH_INTERACTIONS2]), 'failed to get correct hydrophobic interactions without hpb.so') @@ -140,7 +140,7 @@ def testHydrophobicInteractions(self): def testDisulfideBondsCalcNone(self): """Test for disulfide bonds interactions without saving and loading.""" if prody.PY3K: - data_test = calcDisulfideBondsTrajectory(self.ATOMS, stop_frame=13) + data_test = calcDisulfideBondsTrajectory(self.ATOMS) assert_equal(sorted([i[-1][-1] for i in data_test if len(i) > 0]), sorted([i[-1][-1] for i in self.DISU_INTERACTIONS if len(i) > 0]), 'failed to get correct disulfide bonds from 2k39 (None) from calculation') @@ -148,7 +148,7 @@ def testDisulfideBondsCalcNone(self): def testDisulfideBondsSaveNone(self): """Test for disulfide bonds interactions with saving and loading (one type of interactions with 0).""" if prody.PY3K: - data_test = calcDisulfideBondsTrajectory(self.ATOMS, stop_frame=13) + data_test = calcDisulfideBondsTrajectory(self.ATOMS) np.save('test_2k39_disu.npy', np.array(data_test, dtype=object), allow_pickle=True)