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nomad-lab
pymolfile
Commits
62b577f8
Commit
62b577f8
authored
Dec 01, 2017
by
Berk Onat
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Plain Diff
Fixed variable typo and bracket error from previous update.
parent
0b26cc20
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1
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1 changed file
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4 additions
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3 deletions
+4
-3
pymolfile/pymolfile.py
pymolfile/pymolfile.py
+4
-3
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pymolfile/pymolfile.py
View file @
62b577f8
...
...
@@ -521,17 +521,18 @@ class OpenMolfile(object):
if
self
.
topology
:
num_atoms
=
self
.
topology
.
natoms
elif
self
.
kwords
[
"natoms"
]
is
not
None
:
num_atoms
=
natoms
num_atoms
=
int
(
self
.
kwords
[
"natoms"
])
# Trajectory can be read if num_atoms is set
if
num_atoms
>
0
:
self
.
trajectory
=
Trajectory
(
file_name
,
self
.
trajectory
=
Trajectory
(
self
.
kwords
[
"file_name"
],
self
.
kwords
[
"file_format"
],
self
.
fplugin
,
num_atoms
,
self
.
kwords
[
"silent"
])
else
:
warnings
.
warn
(
"Pymolfile can not find a plugin to open the '"
+
self
.
kwords
[
"file_format"
]
+
"' file format of the file "
+
self
.
kwords
[
"file_name"
]
"' file format of the file "
+
self
.
kwords
[
"file_name"
]
)
def
initialize_settings
(
self
):
#global MOLFILE_PLUGINS
...
...
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