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tsoc
openmm
Commits
656d0e3b
Commit
656d0e3b
authored
Apr 20, 2017
by
Rafal P. Wiewiora
Browse files
resolve conflict
parent
713ef425
Changes
1
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1 changed file
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wrappers/python/tests/TestForceField.py
wrappers/python/tests/TestForceField.py
+7
-0
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wrappers/python/tests/TestForceField.py
View file @
656d0e3b
...
@@ -761,6 +761,13 @@ class TestForceField(unittest.TestCase):
...
@@ -761,6 +761,13 @@ class TestForceField(unittest.TestCase):
self
.
assertEqual
(
2
,
len
(
templates
))
self
.
assertEqual
(
2
,
len
(
templates
))
self
.
assertEqual
(
'ALA'
,
templates
[
0
].
name
)
self
.
assertEqual
(
'ALA'
,
templates
[
0
].
name
)
self
.
assertEqual
(
'NME'
,
templates
[
1
].
name
)
self
.
assertEqual
(
'NME'
,
templates
[
1
].
name
)
def
test_Includes
(
self
):
"""Test using a ForceField that includes other files."""
forcefield
=
ForceField
(
os
.
path
.
join
(
'systems'
,
'ff_with_includes.xml'
))
self
.
assertTrue
(
len
(
forcefield
.
_atomTypes
)
>
10
)
self
.
assertTrue
(
'spce-O'
in
forcefield
.
_atomTypes
)
self
.
assertTrue
(
'HOH'
in
forcefield
.
_templates
)
def
test_ImpropersOrdering
(
self
):
def
test_ImpropersOrdering
(
self
):
"""Test correctness of the ordering of atom indexes in improper torsions
"""Test correctness of the ordering of atom indexes in improper torsions
...
...
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