Skip to content
GitLab
Menu
Projects
Groups
Snippets
Loading...
Help
Help
Support
Community forum
Keyboard shortcuts
?
Submit feedback
Contribute to GitLab
Sign in
Toggle navigation
Menu
Open sidebar
tsoc
openmm
Commits
a64e0db6
"libraries/pthreads/vscode:/vscode.git/clone" did not exist on "708c424682b34035b46367ca7c47706001329948"
Commit
a64e0db6
authored
Nov 14, 2014
by
Jason Swails
Browse files
Open as binary (needed for Python 3)
parent
645bf229
Changes
1
Show whitespace changes
Inline
Side-by-side
Showing
1 changed file
with
1 addition
and
1 deletion
+1
-1
wrappers/python/tests/TestDcdFile.py
wrappers/python/tests/TestDcdFile.py
+1
-1
No files found.
wrappers/python/tests/TestDcdFile.py
View file @
a64e0db6
...
...
@@ -12,7 +12,7 @@ class TestDCDFile(unittest.TestCase):
fname
=
tempfile
.
mktemp
(
suffix
=
'.dcd'
)
pdbfile
=
app
.
PDBFile
(
'systems/alanine-dipeptide-implicit.pdb'
)
natom
=
len
(
list
(
pdbfile
.
topology
.
atoms
()))
dcd
=
app
.
DCDFile
(
open
(
fname
,
'w'
),
pdbfile
.
topology
,
0.001
)
dcd
=
app
.
DCDFile
(
open
(
fname
,
'w
b
'
),
pdbfile
.
topology
,
0.001
)
for
i
in
range
(
5
):
dcd
.
writeModel
([
mm
.
Vec3
(
random
(),
random
(),
random
())
for
j
in
range
(
natom
)]
*
unit
.
angstroms
)
dcd
.
_file
.
close
()
...
...
Write
Preview
Markdown
is supported
0%
Try again
or
attach a new file
.
Attach a file
Cancel
You are about to add
0
people
to the discussion. Proceed with caution.
Finish editing this message first!
Cancel
Please
register
or
sign in
to comment