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tsoc
openmm
Commits
3475b790
"vscode:/vscode.git/clone" did not exist on "e1056ad12526ec3bedca73387866e91892d1e09e"
Commit
3475b790
authored
Jul 04, 2019
by
tic20
Browse files
Change prefix argument name to "resname_prefix"
parent
d6e2a771
Changes
1
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1 changed file
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2 additions
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2 deletions
+2
-2
wrappers/python/simtk/openmm/app/forcefield.py
wrappers/python/simtk/openmm/app/forcefield.py
+2
-2
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wrappers/python/simtk/openmm/app/forcefield.py
View file @
3475b790
...
@@ -183,7 +183,7 @@ class ForceField(object):
...
@@ -183,7 +183,7 @@ class ForceField(object):
self
.
_templateGenerators
=
[]
self
.
_templateGenerators
=
[]
self
.
loadFile
(
files
)
self
.
loadFile
(
files
)
def
loadFile
(
self
,
files
,
prefix
=
''
):
def
loadFile
(
self
,
files
,
resname_
prefix
=
''
):
"""Load an XML file and add the definitions from it to this ForceField.
"""Load an XML file and add the definitions from it to this ForceField.
Parameters
Parameters
...
@@ -262,7 +262,7 @@ class ForceField(object):
...
@@ -262,7 +262,7 @@ class ForceField(object):
for
tree
in
trees
:
for
tree
in
trees
:
if
tree
.
getroot
().
find
(
'Residues'
)
is
not
None
:
if
tree
.
getroot
().
find
(
'Residues'
)
is
not
None
:
for
residue
in
tree
.
getroot
().
find
(
'Residues'
).
findall
(
'Residue'
):
for
residue
in
tree
.
getroot
().
find
(
'Residues'
).
findall
(
'Residue'
):
resName
=
prefix
+
residue
.
attrib
[
'name'
]
resName
=
resname_
prefix
+
residue
.
attrib
[
'name'
]
template
=
ForceField
.
_TemplateData
(
resName
)
template
=
ForceField
.
_TemplateData
(
resName
)
if
'override'
in
residue
.
attrib
:
if
'override'
in
residue
.
attrib
:
template
.
overrideLevel
=
int
(
residue
.
attrib
[
'override'
])
template
.
overrideLevel
=
int
(
residue
.
attrib
[
'override'
])
...
...
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