Skip to content

Commit

Permalink
revert stop_frame on testing types
Browse files Browse the repository at this point in the history
  • Loading branch information
jamesmkrieger committed Dec 17, 2024
1 parent 9f9b5d3 commit 5e58c20
Showing 1 changed file with 9 additions and 9 deletions.
18 changes: 9 additions & 9 deletions prody/tests/proteins/test_insty.py
Original file line number Diff line number Diff line change
Expand Up @@ -73,15 +73,15 @@ 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')

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')

Expand All @@ -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)

Expand All @@ -103,23 +103,23 @@ 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')

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')

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')

Expand All @@ -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')
Expand All @@ -140,15 +140,15 @@ 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')

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)

Expand Down

0 comments on commit 5e58c20

Please sign in to comment.