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tsoc
openmm
Commits
ee39f7ca
Unverified
Commit
ee39f7ca
authored
May 31, 2023
by
Peter Eastman
Committed by
GitHub
May 31, 2023
Browse files
Fixed SWIG wrapping of DrudeIntegrator subclasses (#4089)
parent
303aaff7
Changes
1
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1 changed file
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-1
wrappers/python/src/swig_doxygen/swigInputBuilder.py
wrappers/python/src/swig_doxygen/swigInputBuilder.py
+3
-1
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wrappers/python/src/swig_doxygen/swigInputBuilder.py
View file @
ee39f7ca
...
@@ -261,10 +261,12 @@ class SwigInputBuilder:
...
@@ -261,10 +261,12 @@ class SwigInputBuilder:
baseName
=
getText
(
"compoundname"
,
baseNode
)
baseName
=
getText
(
"compoundname"
,
baseNode
)
if
baseName
==
'OpenMM::Force'
:
if
baseName
==
'OpenMM::Force'
:
forceSubclassList
.
append
(
shortClassName
)
forceSubclassList
.
append
(
shortClassName
)
elif
baseName
==
'OpenMM::Integrator'
:
elif
baseName
in
(
'OpenMM::Integrator'
,
'OpenMM::
Drude
Integrator'
)
:
integratorSubclassList
.
append
(
shortClassName
)
integratorSubclassList
.
append
(
shortClassName
)
elif
baseName
==
'OpenMM::TabulatedFunction'
:
elif
baseName
==
'OpenMM::TabulatedFunction'
:
tabulatedFunctionSubclassList
.
append
(
shortClassName
)
tabulatedFunctionSubclassList
.
append
(
shortClassName
)
# We need to include subclasses of DrudeIntegrator, but not DrudeIntegrator itself.
integratorSubclassList
.
remove
(
'DrudeIntegrator'
)
self
.
fOut
.
write
(
"%factory(OpenMM::Force& OpenMM::System::getForce"
)
self
.
fOut
.
write
(
"%factory(OpenMM::Force& OpenMM::System::getForce"
)
for
name
in
sorted
(
forceSubclassList
):
for
name
in
sorted
(
forceSubclassList
):
...
...
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