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tsoc
openmm
Commits
82703dff
"vscode:/vscode.git/clone" did not exist on "9687a0a3041d5fe173158dfd83c1ce3443e9066c"
Unverified
Commit
82703dff
authored
Dec 30, 2025
by
Christian Clauss
Committed by
GitHub
Dec 30, 2025
Browse files
Fix typos discovered by codespell in Python files (#5173)
parent
07b738c5
Changes
22
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2 changed files
with
3 additions
and
3 deletions
+3
-3
wrappers/python/tests/TestAmberPrmtopFile.py
wrappers/python/tests/TestAmberPrmtopFile.py
+2
-2
wrappers/python/tests/TestForceField.py
wrappers/python/tests/TestForceField.py
+1
-1
No files found.
wrappers/python/tests/TestAmberPrmtopFile.py
View file @
82703dff
...
...
@@ -470,10 +470,10 @@ class TestAmberPrmtopFile(unittest.TestCase):
self
.
assertAlmostEqual
(
energy
,
expectedEnergy
,
delta
=
5e-4
*
abs
(
energy
))
def
testAmberCMAP
(
self
):
"""Check that CMAP energy calcultion compared to AMber."""
"""Check that CMAP energy calcul
a
tion compared to AMber."""
temperature
=
50
*
kelvin
conversion
=
4.184
# 4.184 kJ/mol
sander_CMAP_E
=
8.2864
# CMAP energy calc
l
uated by Amber, unit kcal/mol
sander_CMAP_E
=
8.2864
# CMAP energy calcu
l
ated by Amber, unit kcal/mol
prmtop
=
prmtop7
# systems/18protein.parm7
inpcrd
=
inpcrd7
# systems/18protein.rst7
...
...
wrappers/python/tests/TestForceField.py
View file @
82703dff
...
...
@@ -322,7 +322,7 @@ class TestForceField(unittest.TestCase):
# Specifying a non-default value should.
with
self
.
assertRaises
(
ValueError
):
self
.
forcefield1
.
createSystem
(
topology
,
drudeMass
=
0.5
*
amu
)
# Specifying a nonexist
a
nt argument should raise an exception.
# Specifying a nonexist
e
nt argument should raise an exception.
with
self
.
assertRaises
(
ValueError
):
self
.
forcefield1
.
createSystem
(
topology
,
nonbndedCutoff
=
1.0
*
nanometer
)
...
...
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