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tsoc
openmm
Commits
408cfe6c
Commit
408cfe6c
authored
Aug 12, 2015
by
Robert McGibbon
Browse files
Fix two tests for python3
parent
ff0cdceb
Changes
2
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2 changed files
with
29 additions
and
20 deletions
+29
-20
wrappers/python/tests/TestGromacsTopFile.py
wrappers/python/tests/TestGromacsTopFile.py
+20
-16
wrappers/python/tests/TestPdbFile.py
wrappers/python/tests/TestPdbFile.py
+9
-4
No files found.
wrappers/python/tests/TestGromacsTopFile.py
View file @
408cfe6c
...
@@ -3,8 +3,12 @@ from validateConstraints import *
...
@@ -3,8 +3,12 @@ from validateConstraints import *
from
simtk.openmm.app
import
*
from
simtk.openmm.app
import
*
from
simtk.openmm
import
*
from
simtk.openmm
import
*
from
simtk.unit
import
*
from
simtk.unit
import
*
from
simtk.openmm.app.gromacstopfile
import
_defaultGromacsIncludeDir
import
simtk.openmm.app.element
as
elem
import
simtk.openmm.app.element
as
elem
GROMACS_INCLUDE
=
_defaultGromacsIncludeDir
()
@
unittest
.
skipIf
(
not
os
.
path
.
exists
(
GROMACS_INCLUDE
),
'GROMACS is not installed'
)
class
TestGromacsTopFile
(
unittest
.
TestCase
):
class
TestGromacsTopFile
(
unittest
.
TestCase
):
"""Test the GromacsTopFile.createSystem() method."""
"""Test the GromacsTopFile.createSystem() method."""
...
...
wrappers/python/tests/TestPdbFile.py
View file @
408cfe6c
import
sys
import
unittest
import
unittest
from
simtk.openmm.app
import
*
from
simtk.openmm.app
import
*
from
simtk.openmm
import
*
from
simtk.openmm
import
*
from
simtk.unit
import
*
from
simtk.unit
import
*
import
simtk.openmm.app.element
as
elem
import
simtk.openmm.app.element
as
elem
import
cStringIO
if
sys
.
version_info
>=
(
3
,
0
):
from
StringIO
import
StringIO
else
:
from
cStringIO
import
StringIO
class
TestPdbFile
(
unittest
.
TestCase
):
class
TestPdbFile
(
unittest
.
TestCase
):
"""Test the PDB file parser"""
"""Test the PDB file parser"""
...
@@ -43,9 +48,9 @@ class TestPdbFile(unittest.TestCase):
...
@@ -43,9 +48,9 @@ class TestPdbFile(unittest.TestCase):
def
test_WriteFile
(
self
):
def
test_WriteFile
(
self
):
"""Write a file, read it back, and make sure it matches the original."""
"""Write a file, read it back, and make sure it matches the original."""
pdb1
=
PDBFile
(
'systems/triclinic.pdb'
)
pdb1
=
PDBFile
(
'systems/triclinic.pdb'
)
output
=
cStringIO
.
StringIO
()
output
=
StringIO
()
PDBFile
.
writeFile
(
pdb1
.
topology
,
pdb1
.
positions
,
output
)
PDBFile
.
writeFile
(
pdb1
.
topology
,
pdb1
.
positions
,
output
)
input
=
cStringIO
.
StringIO
(
output
.
getvalue
())
input
=
StringIO
(
output
.
getvalue
())
pdb2
=
PDBFile
(
input
)
pdb2
=
PDBFile
(
input
)
output
.
close
();
output
.
close
();
input
.
close
();
input
.
close
();
...
...
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