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tsoc
openmm
Commits
7040f1e3
Commit
7040f1e3
authored
Mar 06, 2025
by
Evan Pretti
Browse files
Forgot that tests use unittest instead of pytest
parent
a8457c6b
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wrappers/python/tests/TestCharmmFiles.py
wrappers/python/tests/TestCharmmFiles.py
+2
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wrappers/python/tests/TestCharmmFiles.py
View file @
7040f1e3
...
@@ -496,8 +496,8 @@ END""", file=prm_file)
...
@@ -496,8 +496,8 @@ END""", file=prm_file)
system
=
psf
.
createSystem
(
prm
)
system
=
psf
.
createSystem
(
prm
)
force_type
=
CustomTorsionForce
if
test_improper
else
PeriodicTorsionForce
force_type
=
CustomTorsionForce
if
test_improper
else
PeriodicTorsionForce
force
,
=
(
force
for
force
in
system
.
getForces
()
if
isinstance
(
force
,
force_type
))
force
,
=
(
force
for
force
in
system
.
getForces
()
if
isinstance
(
force
,
force_type
))
assert
force
.
getNumTorsions
()
==
1
self
.
assert
Equal
(
force
.
getNumTorsions
()
,
1
)
assert
force
.
getTorsionParameters
(
0
)[:
4
]
==
[
0
,
1
,
2
,
3
]
self
.
assert
Equal
(
force
.
getTorsionParameters
(
0
)[:
4
]
,
[
0
,
1
,
2
,
3
]
)
def
test_Residues
(
self
):
def
test_Residues
(
self
):
"""Test that residues are read correctly, even if they have the same RESID while being in separate segments."""
"""Test that residues are read correctly, even if they have the same RESID while being in separate segments."""
...
...
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