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tsoc
openmm
Commits
4aa8df6d
Commit
4aa8df6d
authored
Mar 09, 2016
by
Rafal P. Wiewiora
Browse files
add check for type name in overload
parent
476e820b
Changes
1
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wrappers/python/tests/TestForceField.py
wrappers/python/tests/TestForceField.py
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wrappers/python/tests/TestForceField.py
View file @
4aa8df6d
...
@@ -618,6 +618,7 @@ class TestForceField(unittest.TestCase):
...
@@ -618,6 +618,7 @@ class TestForceField(unittest.TestCase):
self
.
assertRaises
(
Exception
,
lambda
:
ForceField
(
StringIO
(
ffxml1
),
StringIO
(
ffxml2
)))
self
.
assertRaises
(
Exception
,
lambda
:
ForceField
(
StringIO
(
ffxml1
),
StringIO
(
ffxml2
)))
ff
=
ForceField
(
StringIO
(
ffxml1
),
StringIO
(
ffxml3
))
ff
=
ForceField
(
StringIO
(
ffxml1
),
StringIO
(
ffxml3
))
self
.
assertEqual
(
ff
.
_templates
[
'FE2'
].
atoms
[
0
].
type
,
'Fe2+_tip3p_standard'
)
ff
.
createSystem
(
pdb
.
topology
)
ff
.
createSystem
(
pdb
.
topology
)
class
AmoebaTestForceField
(
unittest
.
TestCase
):
class
AmoebaTestForceField
(
unittest
.
TestCase
):
...
...
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