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schwede
openstructure
Commits
ef09c53b
Commit
ef09c53b
authored
Jul 12, 2017
by
Gerardo Tauriello
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Fixed QS scorer tests for missing clustalw and ambiguous mappings
parent
51fa0b2e
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modules/mol/alg/tests/test_qsscoring.py
+8
-6
8 additions, 6 deletions
modules/mol/alg/tests/test_qsscoring.py
with
8 additions
and
6 deletions
modules/mol/alg/tests/test_qsscoring.py
+
8
−
6
View file @
ef09c53b
import
unittest
,
os
import
unittest
,
os
,
sys
import
ost
import
ost
from
ost
import
io
,
mol
from
ost
import
io
,
mol
,
settings
from
ost.mol.alg.qsscoring
import
*
from
ost.mol.alg.qsscoring
import
*
...
@@ -462,10 +462,7 @@ class TestQSscore(unittest.TestCase):
...
@@ -462,10 +462,7 @@ class TestQSscore(unittest.TestCase):
self
.
assertEqual
(
sorted
(
qs_scorer
.
symm_2
),
self
.
assertEqual
(
sorted
(
qs_scorer
.
symm_2
),
[(
'
A
'
,
'
G
'
),
(
'
B
'
,
'
I
'
),
(
'
C
'
,
'
E
'
),
[(
'
A
'
,
'
G
'
),
(
'
B
'
,
'
I
'
),
(
'
C
'
,
'
E
'
),
(
'
D
'
,
'
K
'
),
(
'
F
'
,
'
J
'
),
(
'
H
'
,
'
L
'
)])
(
'
D
'
,
'
K
'
),
(
'
F
'
,
'
J
'
),
(
'
H
'
,
'
L
'
)])
self
.
assertEqual
(
qs_scorer
.
chain_mapping
,
# chain mapping is ambiguous here so we cannot check it
{
'
A
'
:
'
K
'
,
'
C
'
:
'
L
'
,
'
B
'
:
'
J
'
,
'
E
'
:
'
F
'
,
'
D
'
:
'
D
'
,
'
G
'
:
'
I
'
,
'
F
'
:
'
H
'
,
'
I
'
:
'
G
'
,
'
H
'
:
'
E
'
,
'
K
'
:
'
C
'
,
'
J
'
:
'
B
'
,
'
L
'
:
'
A
'
})
def
test_Urease
(
self
):
def
test_Urease
(
self
):
ent_1
=
_LoadFile
(
'
1e9y.1.pdb
'
)
# A12 B12, symmetry: T
ent_1
=
_LoadFile
(
'
1e9y.1.pdb
'
)
# A12 B12, symmetry: T
...
@@ -688,6 +685,11 @@ class TestQSscore(unittest.TestCase):
...
@@ -688,6 +685,11 @@ class TestQSscore(unittest.TestCase):
if
__name__
==
"
__main__
"
:
if
__name__
==
"
__main__
"
:
try
:
settings
.
Locate
((
'
clustalw
'
,
'
clustalw2
'
))
except
:
print
"
Could not find ClustalW. Ignoring test_qsscoring.py tests.
"
sys
.
exit
(
0
)
from
ost
import
testutils
from
ost
import
testutils
if
testutils
.
SetDefaultCompoundLib
():
if
testutils
.
SetDefaultCompoundLib
():
testutils
.
RunTests
()
testutils
.
RunTests
()
...
...
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