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tsoc
openmm
Commits
dabb49a7
Commit
dabb49a7
authored
Nov 21, 2012
by
Peter Eastman
Browse files
Removed references to free energy plugin
parent
7643aff5
Changes
6
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6 changed files
with
2 additions
and
40 deletions
+2
-40
wrappers/python/CMakeLists.txt
wrappers/python/CMakeLists.txt
+1
-1
wrappers/python/setup.py
wrappers/python/setup.py
+0
-1
wrappers/python/src/swig_doxygen/OpenMM.i
wrappers/python/src/swig_doxygen/OpenMM.i
+0
-1
wrappers/python/src/swig_doxygen/doxygen/Doxyfile
wrappers/python/src/swig_doxygen/doxygen/Doxyfile
+0
-1
wrappers/python/src/swig_doxygen/doxygen/Doxyfile.in
wrappers/python/src/swig_doxygen/doxygen/Doxyfile.in
+1
-2
wrappers/python/src/swig_doxygen/swigInputConfig.py
wrappers/python/src/swig_doxygen/swigInputConfig.py
+0
-34
No files found.
wrappers/python/CMakeLists.txt
View file @
dabb49a7
...
...
@@ -177,7 +177,7 @@ set (STAGING_OUTPUT_FILES ${STAGING_OUTPUT_FILES}
### Make a list of all folders containing include files the wrappers must be compiled against. ###
##################################################################################################
SET
(
WRAPPER_BASE_SUBDIRS . openmmapi olla serialization plugins/amoeba/openmmapi
plugins/freeEnergy/openmmapi
plugins/rpmd/openmmapi
)
SET
(
WRAPPER_BASE_SUBDIRS . openmmapi olla serialization plugins/amoeba/openmmapi plugins/rpmd/openmmapi
)
SET
(
WRAPPER_INCLUDE_DIRS
)
# start empty
FOREACH
(
subdir
${
WRAPPER_BASE_SUBDIRS
}
)
# append
...
...
wrappers/python/setup.py
View file @
dabb49a7
...
...
@@ -111,7 +111,6 @@ def buildKeywordDictionary(major_version_num=MAJOR_VERSION_NUM,
libraries
=
[
'OpenMM'
,
'OpenMMSerialization'
,
'OpenMMFreeEnergy'
,
'OpenMMAmoeba'
,
'OpenMMRPMD'
,
]
...
...
wrappers/python/src/swig_doxygen/OpenMM.i
View file @
dabb49a7
...
...
@@ -41,7 +41,6 @@ namespace std {
#
include
<
exception
>
#
include
"OpenMM.h"
#
include
"OpenMMFreeEnergy.h"
#
include
"OpenMMAmoeba.h"
#
include
"openmm/RPMDIntegrator.h"
#
include
"openmm/serialization/SerializationNode.h"
...
...
wrappers/python/src/swig_doxygen/doxygen/Doxyfile
View file @
dabb49a7
...
...
@@ -565,7 +565,6 @@ WARN_LOGFILE =
# with spaces.
INPUT = "$(OPENMM_INCLUDE_PATH)/OpenMM.h" \
"$(OPENMM_INCLUDE_PATH)/OpenMMFreeEnergy.h" \
"$(OPENMM_INCLUDE_PATH)/openmm"
# This tag can be used to specify the character encoding of the source files
...
...
wrappers/python/src/swig_doxygen/doxygen/Doxyfile.in
View file @
dabb49a7
...
...
@@ -570,8 +570,7 @@ INPUT = "@CMAKE_SOURCE_DIR@/openmmapi" \
"@CMAKE_SOURCE_DIR@/serialization/include/openmm/serialization/SerializationProxy.h" \
"@CMAKE_SOURCE_DIR@/serialization/include/openmm/serialization/XmlSerializer.h" \
"@CMAKE_SOURCE_DIR@/plugins/amoeba/openmmapi" \
"@CMAKE_SOURCE_DIR@/plugins/rpmd/openmmapi" \
"@CMAKE_SOURCE_DIR@/plugins/freeEnergy/openmmapi"
"@CMAKE_SOURCE_DIR@/plugins/rpmd/openmmapi"
# This tag can be used to specify the character encoding of the source files
# that doxygen parses. Internally doxygen uses the UTF-8 encoding, which is
...
...
wrappers/python/src/swig_doxygen/swigInputConfig.py
View file @
dabb49a7
...
...
@@ -56,14 +56,11 @@ SKIP_METHODS = [('State',),
(
'CalcCustomTorsionForceKernel'
,),
(
'CalcForcesAndEnergyKernel'
,),
(
'CalcGBSAOBCForceKernel'
,),
(
'CalcGBSAOBCSoftcoreForceKernel'
,),
(
'CalcGBVIForceKernel'
,),
(
'CalcGBVISoftcoreForceKernel'
,),
(
'CalcHarmonicAngleForceKernel'
,),
(
'CalcHarmonicBondForceKernel'
,),
(
'CalcKineticEnergyKernel'
,),
(
'CalcNonbondedForceKernel'
,),
(
'CalcNonbondedSoftcoreForceKernel'
,),
(
'CalcPeriodicTorsionForceKernel'
,),
(
'CalcRBTorsionForceKernel'
,),
(
'CMAPTorsionForceImpl'
,),
...
...
@@ -86,11 +83,7 @@ SKIP_METHODS = [('State',),
(
'ForceImpl'
,),
(
'FunctionInfo'
,),
(
'GBSAOBCForceImpl'
,),
(
'GBSAOBCSoftcoreForce'
,
'getParticleParameters'
,
4
),
(
'GBSAOBCSoftcoreForceImpl'
,),
(
'GBVIForceImpl'
,),
(
'GBVISoftcoreForce'
,
'getParticleParameters'
,
4
),
(
'GBVISoftcoreForceImpl'
,),
(
'GlobalParameterInfo'
,),
(
'HarmonicAngleForceImpl'
,),
(
'HarmonicBondForceImpl'
,),
...
...
@@ -107,9 +100,6 @@ SKIP_METHODS = [('State',),
(
'MonteCarloBarostatImpl'
,),
(
'MultipoleInfo'
,),
(
'NonbondedForceImpl'
,),
(
'NonbondedSoftcoreForce'
,
'getParticleParameters'
,
4
),
(
'NonbondedSoftcoreForce'
,
'getExceptionParameters'
,
6
),
(
'NonbondedSoftcoreForceImpl'
,),
(
'OutOfPlaneBendInfo'
,),
(
'ParameterInfo'
,),
(
'ParticleInfo'
,),
...
...
@@ -416,21 +406,6 @@ UNITS = {
(
"GBVIForce"
,
"getParticleParameters"
)
:
(
None
,
(
'unit.elementary_charge'
,
'unit.nanometer'
,
'unit.kilojoule_per_mole'
)),
(
"GBSAOBCSoftcoreForce"
,
"getNonbondedMethod"
)
:
(
None
,
()),
(
"GBSAOBCSoftcoreForce"
,
"getParticleParameters"
)
:
(
None
,
(
'unit.elementary_charge'
,
'unit.nanometer'
,
None
,
None
)),
(
"GBSAOBCSoftcoreForce"
,
"getNonPolarPrefactor"
)
:
(
'unit.kilojoule_per_mole/(unit.nanometer*unit.nanometer)'
,
()),
(
"GBVISoftcoreForce"
,
"getParticleParameters"
)
:
(
None
,
(
'unit.elementary_charge'
,
'unit.nanometer'
,
'unit.kilojoule_per_mole'
,
None
)),
(
"GBVISoftcoreForce"
,
"getBondParameters"
)
:
(
None
,
(
None
,
None
,
'unit.nanometer'
)),
(
"GBVISoftcoreForce"
,
"getNonbondedMethod"
)
:
(
None
,
()),
(
"GBVISoftcoreForce"
,
"getBornRadiusScalingMethod"
)
:
(
None
,
()),
(
"GBVISoftcoreForce"
,
"getQuinticLowerLimitFactor"
)
:
(
None
,
()),
(
"GBVISoftcoreForce"
,
"getQuinticUpperBornRadiusLimit"
)
:
(
'unit.nanometer'
,()),
(
"HarmonicAngleForce"
,
"getAngleParameters"
)
:
(
None
,
(
None
,
None
,
None
,
'unit.radian'
,
'unit.kilojoule_per_mole/(unit.radian*unit.radian)'
)),
...
...
@@ -446,15 +421,6 @@ UNITS = {
(
"NonbondedForce"
,
"getParticleParameters"
)
:
(
None
,
(
'unit.elementary_charge'
,
'unit.nanometer'
,
'unit.kilojoule_per_mole'
)),
(
"NonbondedSoftcoreForce"
,
"getNonbondedMethod"
)
:
(
None
,
()),
(
"NonbondedSoftcoreForce"
,
"getParticleParameters"
)
:
(
None
,
(
'unit.elementary_charge'
,
'unit.nanometer'
,
'unit.kilojoule_per_mole'
,
None
)),
(
"NonbondedSoftcoreForce"
,
"getExceptionParameters"
)
:
(
None
,
(
None
,
None
,
'unit.elementary_charge*unit.elementary_charge'
,
'unit.nanometer'
,
'unit.kilojoule_per_mole'
,
None
)),
(
"PeriodicTorsionForce"
,
"getTorsionParameters"
)
:
(
None
,
(
None
,
None
,
None
,
None
,
None
,
'unit.radian'
,
'unit.kilojoule_per_mole'
)),
...
...
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