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
8dfd8921
Commit
8dfd8921
authored
Apr 20, 2014
by
Jason Swails
Browse files
Correct stream file reading.
parent
ec12f1df
Changes
1
Hide whitespace changes
Inline
Side-by-side
Showing
1 changed file
with
3 additions
and
3 deletions
+3
-3
wrappers/python/simtk/openmm/app/charmmparameterset.py
wrappers/python/simtk/openmm/app/charmmparameterset.py
+3
-3
No files found.
wrappers/python/simtk/openmm/app/charmmparameterset.py
View file @
8dfd8921
...
@@ -499,7 +499,7 @@ class CharmmParameterSet(object):
...
@@ -499,7 +499,7 @@ class CharmmParameterSet(object):
def
readStreamFile
(
self
,
sfile
):
def
readStreamFile
(
self
,
sfile
):
"""
"""
Reads RTF and PAR sections from a stream file and dispatches the
Reads RTF and PAR sections from a stream file and dispatches the
sections to read
_t
opology
_f
ile or read
_p
arameter
_f
ile
sections to read
T
opology
F
ile or read
P
arameter
F
ile
Parameters:
Parameters:
- sfile (str or CharmmStreamFile) : Stream file to parse
- sfile (str or CharmmStreamFile) : Stream file to parse
...
@@ -514,10 +514,10 @@ class CharmmParameterSet(object):
...
@@ -514,10 +514,10 @@ class CharmmParameterSet(object):
words
=
title
.
lower
().
split
()
words
=
title
.
lower
().
split
()
if
words
[
1
]
==
'rtf'
:
if
words
[
1
]
==
'rtf'
:
# This is a Residue Topology File section.
# This is a Residue Topology File section.
self
.
read
_t
opology
_f
ile
(
section
)
self
.
read
T
opology
F
ile
(
section
)
elif
words
[
1
].
startswith
(
'para'
):
elif
words
[
1
].
startswith
(
'para'
):
# This is a Parameter file section
# This is a Parameter file section
self
.
read
_p
arameter
_f
ile
(
section
)
self
.
read
P
arameter
F
ile
(
section
)
title
,
section
=
f
.
next_section
()
title
,
section
=
f
.
next_section
()
def
condense
(
self
):
def
condense
(
self
):
...
...
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