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tsoc
openmm
Commits
3d670d63
Commit
3d670d63
authored
Nov 16, 2011
by
Peter Eastman
Browse files
Fixed bug in handling wildcards with multiple XML files
parent
60aa3862
Changes
1
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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 @
3d670d63
...
@@ -44,7 +44,7 @@ class ForceField(object):
...
@@ -44,7 +44,7 @@ class ForceField(object):
self
.
_atomTypes
=
{}
self
.
_atomTypes
=
{}
self
.
_templates
=
{}
self
.
_templates
=
{}
self
.
_templateSignatures
=
{}
self
.
_templateSignatures
=
{}
self
.
_atomClasses
=
{}
self
.
_atomClasses
=
{
''
:
set
()
}
self
.
_forces
=
[]
self
.
_forces
=
[]
for
file
in
files
:
for
file
in
files
:
try
:
try
:
...
@@ -95,7 +95,7 @@ class ForceField(object):
...
@@ -95,7 +95,7 @@ class ForceField(object):
typeSet
=
set
()
typeSet
=
set
()
self
.
_atomClasses
[
atomClass
]
=
typeSet
self
.
_atomClasses
[
atomClass
]
=
typeSet
typeSet
.
add
(
type
)
typeSet
.
add
(
type
)
self
.
_atomClasses
[
''
]
=
self
.
_atomTypes
.
keys
(
)
self
.
_atomClasses
[
''
]
.
add
(
type
)
# Load force definitions
# Load force definitions
...
...
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