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Commit d25d6a90 authored by peastman's avatar peastman
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Fixed errors building Python wrapper for CustomManyParticleForce

parent 0ca8bdee
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Showing with 3 additions and 16 deletions
openmmapi/include/OpenMM.h
View file @ d25d6a90
......@@ -44,6 +44,7 @@
#include "openmm/CustomGBForce.h"
#include "openmm/CustomHbondForce.h"
#include "openmm/CustomIntegrator.h"
#include "openmm/CustomManyParticleForce.h"
#include "openmm/CustomNonbondedForce.h"
#include "openmm/Force.h"
#include "openmm/GBSAOBCForce.h"
......
wrappers/python/src/swig_doxygen/swigInputConfig.py
View file @ d25d6a90
......@@ -191,6 +191,8 @@ UNITS = {
("*", "getWeight12") : (None, ()),
("*", "getWeight13") : (None, ()),
("*", "getWeightCross") : (None, ()),
("*", "getNonbondedMethod") : (None, ()),
("*", "getGlobalParameterDefaultValue") : (None, ()),
("LocalCoordinatesSite", "getOriginWeights") : (None, ()),
("LocalCoordinatesSite", "getXWeights") : (None, ()),
("LocalCoordinatesSite", "getYWeights") : (None, ()),
......@@ -228,7 +230,6 @@ UNITS = {
("AmoebaInPlaneAngleForce", "getAngleParameters") : ( None, (None, None, None, None, 'unit.radian', 'unit.kilojoule_per_mole/(unit.radian*unit.radian)')),
("AmoebaMultipoleForce", "getNumMultipoles") : ( None,()),
("AmoebaMultipoleForce", "getNonbondedMethod") : ( None,()),
("AmoebaMultipoleForce", "getPolarizationType") : ( None,()),
("AmoebaMultipoleForce", "getCutoffDistance") : ( 'unit.nanometer',()),
("AmoebaMultipoleForce", "getAEwald") : ( '1/unit.nanometer',()),
......@@ -285,7 +286,6 @@ UNITS = {
("AmoebaVdwForce", "getEpsilonCombiningRule") : ( None, ()),
("AmoebaVdwForce", "getParticleExclusions") : ( None, ()),
("AmoebaVdwForce", "getCutoff") : ( 'unit.nanometer', ()),
("AmoebaVdwForce", "getNonbondedMethod") : ( None, ()),
# LPW 2012-10 Modified because it no longer returns ivIndex and classIndex.
# ("AmoebaVdwForce", "getParticleParameters") : ( None, (None, None, 'unit.nanometer', 'unit.kilojoule_per_mole', None)),
("AmoebaVdwForce", "getParticleParameters") : ( None, (None, 'unit.nanometer', 'unit.kilojoule_per_mole', None)),
......@@ -310,22 +310,18 @@ UNITS = {
("CustomAngleForce", "getEnergyFunction") : (None, ()),
("CustomAngleForce", "getPerAngleParameterName") : (None, ()),
("CustomAngleForce", "getGlobalParameterName") : (None, ()),
("CustomAngleForce", "getGlobalParameterDefaultValue") : (None, ()),
("CustomAngleForce", "getAngleParameters") : (None, ()),
("CustomBondForce", "getNumPerBondParameters") : (None, ()),
("CustomBondForce", "getNumGlobalParameters") : (None, ()),
("CustomBondForce", "getEnergyFunction") : (None, ()),
("CustomBondForce", "getPerBondParameterName") : (None, ()),
("CustomBondForce", "getGlobalParameterName") : (None, ()),
("CustomBondForce", "getGlobalParameterDefaultValue") : (None, ()),
("CustomBondForce", "getBondParameters") : (None, ()),
("CustomCompoundBondForce", "getGlobalParameterDefaultValue") : (None, ()),
("CustomExternalForce", "getNumPerParticleParameters") : (None, ()),
("CustomExternalForce", "getNumGlobalParameters") : (None, ()),
("CustomExternalForce", "getEnergyFunction") : (None, ()),
("CustomExternalForce", "getPerParticleParameterName") : (None, ()),
("CustomExternalForce", "getGlobalParameterName") : (None, ()),
("CustomExternalForce", "getGlobalParameterDefaultValue") : (None, ()),
("CustomExternalForce", "getParticleParameters") : (None, ()),
("CustomGBForce", "getNumExclusions") : (None, ()),
("CustomGBForce", "getNumPerParticleParameters") : (None, ()),
......@@ -333,10 +329,8 @@ UNITS = {
("CustomGBForce", "getNumFunctions") : (None, ()),
("CustomGBForce", "getNumComputedValues") : (None, ()),
("CustomGBForce", "getNumEnergyTerms") : (None, ()),
("CustomGBForce", "getNonbondedMethod") : (None, ()),
("CustomGBForce", "getPerParticleParameterName") : (None, ()),
("CustomGBForce", "getGlobalParameterName") : (None, ()),
("CustomGBForce", "getGlobalParameterDefaultValue") : (None, ()),
("CustomGBForce", "getParticleParameters") : (None, ()),
("CustomGBForce", "getComputedValueParameters") : (None, ()),
("CustomGBForce", "getEnergyTermParameters") : (None, ()),
......@@ -347,7 +341,6 @@ UNITS = {
("CustomHbondForce", "getEnergyFunction") : (None, ()),
("CustomHbondForce", "getExclusionParticles") : (None, ()),
("CustomHbondForce", "getFunctionParameters") : (None, ()),
("CustomHbondForce", "getNonbondedMethod") : (None, ()),
("CustomHbondForce", "getNumAcceptors") : (None, ()),
("CustomHbondForce", "getNumDonors") : (None, ()),
("CustomHbondForce", "getNumExclusions") : (None, ()),
......@@ -355,7 +348,6 @@ UNITS = {
("CustomHbondForce", "getNumGlobalParameters") : (None, ()),
("CustomHbondForce", "getNumPerAcceptorParameters") : (None, ()),
("CustomHbondForce", "getNumPerDonorParameters") : (None, ()),
("CustomHbondForce", "getGlobalParameterDefaultValue") : (None, ()),
("CustomHbondForce", "getGlobalParameterName") : (None, ()),
("CustomHbondForce", "getPerAcceptorParameterName") : (None, ()),
("CustomHbondForce", "getPerDonorParameterName") : (None, ()),
......@@ -363,9 +355,7 @@ UNITS = {
("CustomNonbondedForce", "getExceptionParameters") : (None, ()),
("CustomNonbondedForce", "getExclusionParticles") : (None, ()),
("CustomNonbondedForce", "getFunctionParameters") : (None, ()),
("CustomNonbondedForce", "getGlobalParameterDefaultValue") : (None, ()),
("CustomNonbondedForce", "getGlobalParameterName") : (None, ()),
("CustomNonbondedForce", "getNonbondedMethod") : (None, ()),
("CustomNonbondedForce", "getNumExclusions") : (None, ()),
("CustomNonbondedForce", "getNumFunctions") : (None, ()),
("CustomNonbondedForce", "getNumPerParticleParameters") : (None, ()),
......@@ -380,13 +370,10 @@ UNITS = {
("CustomTorsionForce", "getEnergyFunction") : (None, ()),
("CustomTorsionForce", "getPerTorsionParameterName") : (None, ()),
("CustomTorsionForce", "getGlobalParameterName") : (None, ()),
("CustomTorsionForce", "getGlobalParameterDefaultValue") : (None, ()),
("CustomTorsionForce", "getTorsionParameters") : (None, ()),
("GBSAOBCForce", "getNonbondedMethod") : (None, ()),
("GBSAOBCForce", "getParticleParameters")
: (None, ('unit.elementary_charge',
'unit.nanometer', None)),
("GBVIForce", "getNonbondedMethod") : (None, ()),
("GBVIForce", "getBornRadiusScalingMethod") : (None, ()),
("GBVIForce", "getQuinticLowerLimitFactor") : (None, ()),
("GBVIForce", "getQuinticUpperBornRadiusLimit") : ('unit.nanometer', ()),
......@@ -408,7 +395,6 @@ UNITS = {
: (None, (None, None,
'unit.elementary_charge*unit.elementary_charge',
'unit.nanometer', 'unit.kilojoule_per_mole')),
("NonbondedForce", "getNonbondedMethod") : (None, ()),
("NonbondedForce", "getParticleParameters")
: (None, ('unit.elementary_charge',
'unit.nanometer', 'unit.kilojoule_per_mole')),
......
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