Commit dabb49a7 authored by Peter Eastman's avatar Peter Eastman
Browse files

Removed references to free energy plugin

parent 7643aff5
...@@ -177,7 +177,7 @@ set (STAGING_OUTPUT_FILES ${STAGING_OUTPUT_FILES} ...@@ -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. ### ### 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 SET(WRAPPER_INCLUDE_DIRS) # start empty
FOREACH(subdir ${WRAPPER_BASE_SUBDIRS}) FOREACH(subdir ${WRAPPER_BASE_SUBDIRS})
# append # append
......
...@@ -111,7 +111,6 @@ def buildKeywordDictionary(major_version_num=MAJOR_VERSION_NUM, ...@@ -111,7 +111,6 @@ def buildKeywordDictionary(major_version_num=MAJOR_VERSION_NUM,
libraries=['OpenMM', libraries=['OpenMM',
'OpenMMSerialization', 'OpenMMSerialization',
'OpenMMFreeEnergy',
'OpenMMAmoeba', 'OpenMMAmoeba',
'OpenMMRPMD', 'OpenMMRPMD',
] ]
......
...@@ -41,7 +41,6 @@ namespace std { ...@@ -41,7 +41,6 @@ namespace std {
#include <exception> #include <exception>
#include "OpenMM.h" #include "OpenMM.h"
#include "OpenMMFreeEnergy.h"
#include "OpenMMAmoeba.h" #include "OpenMMAmoeba.h"
#include "openmm/RPMDIntegrator.h" #include "openmm/RPMDIntegrator.h"
#include "openmm/serialization/SerializationNode.h" #include "openmm/serialization/SerializationNode.h"
......
...@@ -565,7 +565,6 @@ WARN_LOGFILE = ...@@ -565,7 +565,6 @@ WARN_LOGFILE =
# with spaces. # with spaces.
INPUT = "$(OPENMM_INCLUDE_PATH)/OpenMM.h" \ INPUT = "$(OPENMM_INCLUDE_PATH)/OpenMM.h" \
"$(OPENMM_INCLUDE_PATH)/OpenMMFreeEnergy.h" \
"$(OPENMM_INCLUDE_PATH)/openmm" "$(OPENMM_INCLUDE_PATH)/openmm"
# This tag can be used to specify the character encoding of the source files # This tag can be used to specify the character encoding of the source files
......
...@@ -570,8 +570,7 @@ INPUT = "@CMAKE_SOURCE_DIR@/openmmapi" \ ...@@ -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/SerializationProxy.h" \
"@CMAKE_SOURCE_DIR@/serialization/include/openmm/serialization/XmlSerializer.h" \ "@CMAKE_SOURCE_DIR@/serialization/include/openmm/serialization/XmlSerializer.h" \
"@CMAKE_SOURCE_DIR@/plugins/amoeba/openmmapi" \ "@CMAKE_SOURCE_DIR@/plugins/amoeba/openmmapi" \
"@CMAKE_SOURCE_DIR@/plugins/rpmd/openmmapi" \ "@CMAKE_SOURCE_DIR@/plugins/rpmd/openmmapi"
"@CMAKE_SOURCE_DIR@/plugins/freeEnergy/openmmapi"
# This tag can be used to specify the character encoding of the source files # 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 # that doxygen parses. Internally doxygen uses the UTF-8 encoding, which is
......
...@@ -56,14 +56,11 @@ SKIP_METHODS = [('State',), ...@@ -56,14 +56,11 @@ SKIP_METHODS = [('State',),
('CalcCustomTorsionForceKernel',), ('CalcCustomTorsionForceKernel',),
('CalcForcesAndEnergyKernel',), ('CalcForcesAndEnergyKernel',),
('CalcGBSAOBCForceKernel',), ('CalcGBSAOBCForceKernel',),
('CalcGBSAOBCSoftcoreForceKernel',),
('CalcGBVIForceKernel',), ('CalcGBVIForceKernel',),
('CalcGBVISoftcoreForceKernel',),
('CalcHarmonicAngleForceKernel',), ('CalcHarmonicAngleForceKernel',),
('CalcHarmonicBondForceKernel',), ('CalcHarmonicBondForceKernel',),
('CalcKineticEnergyKernel',), ('CalcKineticEnergyKernel',),
('CalcNonbondedForceKernel',), ('CalcNonbondedForceKernel',),
('CalcNonbondedSoftcoreForceKernel',),
('CalcPeriodicTorsionForceKernel',), ('CalcPeriodicTorsionForceKernel',),
('CalcRBTorsionForceKernel',), ('CalcRBTorsionForceKernel',),
('CMAPTorsionForceImpl',), ('CMAPTorsionForceImpl',),
...@@ -86,11 +83,7 @@ SKIP_METHODS = [('State',), ...@@ -86,11 +83,7 @@ SKIP_METHODS = [('State',),
('ForceImpl',), ('ForceImpl',),
('FunctionInfo',), ('FunctionInfo',),
('GBSAOBCForceImpl',), ('GBSAOBCForceImpl',),
('GBSAOBCSoftcoreForce', 'getParticleParameters', 4),
('GBSAOBCSoftcoreForceImpl',),
('GBVIForceImpl',), ('GBVIForceImpl',),
('GBVISoftcoreForce', 'getParticleParameters', 4),
('GBVISoftcoreForceImpl',),
('GlobalParameterInfo',), ('GlobalParameterInfo',),
('HarmonicAngleForceImpl',), ('HarmonicAngleForceImpl',),
('HarmonicBondForceImpl',), ('HarmonicBondForceImpl',),
...@@ -107,9 +100,6 @@ SKIP_METHODS = [('State',), ...@@ -107,9 +100,6 @@ SKIP_METHODS = [('State',),
('MonteCarloBarostatImpl',), ('MonteCarloBarostatImpl',),
('MultipoleInfo',), ('MultipoleInfo',),
('NonbondedForceImpl',), ('NonbondedForceImpl',),
('NonbondedSoftcoreForce', 'getParticleParameters', 4),
('NonbondedSoftcoreForce', 'getExceptionParameters', 6),
('NonbondedSoftcoreForceImpl',),
('OutOfPlaneBendInfo',), ('OutOfPlaneBendInfo',),
('ParameterInfo',), ('ParameterInfo',),
('ParticleInfo',), ('ParticleInfo',),
...@@ -416,21 +406,6 @@ UNITS = { ...@@ -416,21 +406,6 @@ UNITS = {
("GBVIForce", "getParticleParameters") ("GBVIForce", "getParticleParameters")
: (None, ('unit.elementary_charge', : (None, ('unit.elementary_charge',
'unit.nanometer', 'unit.kilojoule_per_mole')), '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") ("HarmonicAngleForce", "getAngleParameters")
: (None, (None, None, None, 'unit.radian', : (None, (None, None, None, 'unit.radian',
'unit.kilojoule_per_mole/(unit.radian*unit.radian)')), 'unit.kilojoule_per_mole/(unit.radian*unit.radian)')),
...@@ -446,15 +421,6 @@ UNITS = { ...@@ -446,15 +421,6 @@ UNITS = {
("NonbondedForce", "getParticleParameters") ("NonbondedForce", "getParticleParameters")
: (None, ('unit.elementary_charge', : (None, ('unit.elementary_charge',
'unit.nanometer', 'unit.kilojoule_per_mole')), '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") ("PeriodicTorsionForce", "getTorsionParameters")
: (None, (None, None, None, None, : (None, (None, None, None, None,
None, 'unit.radian', 'unit.kilojoule_per_mole')), None, 'unit.radian', 'unit.kilojoule_per_mole')),
......
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