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tsoc
openmm
Commits
15a68e22
Commit
15a68e22
authored
Jun 18, 2012
by
Peter Eastman
Browse files
Return dimensionless quantities as numbers, not Quantities with unit=dimensionless.
parent
ecbbf442
Changes
1
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1 changed file
with
11 additions
and
11 deletions
+11
-11
wrappers/python/src/swig_doxygen/swigInputConfig.py
wrappers/python/src/swig_doxygen/swigInputConfig.py
+11
-11
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wrappers/python/src/swig_doxygen/swigInputConfig.py
View file @
15a68e22
...
...
@@ -185,7 +185,7 @@ STEAL_OWNERSHIP = {("Platform", "registerPlatform") : [0],
# This is a list of units to attach to return values and method args.
# Indexed by (ClassName, MethodsName)
UNITS
=
{
(
"*"
,
"getConstraintTolerance"
)
:
(
"unit.dimensionless"
,
()),
(
"*"
,
"getConstraintTolerance"
)
:
(
None
,
()),
(
"*"
,
"getCutoffDistance"
)
:
(
"unit.nanometers"
,
()),
(
"*"
,
"getDefaultCollisionFrequency"
)
:
(
"1/unit.picosecond"
,
()),
(
"*"
,
"getDefaultPeriodicBoxVectors"
)
...
...
@@ -214,9 +214,9 @@ UNITS = {
(
"*"
,
"getPlatform"
)
:
(
None
,
()),
(
"*"
,
"getPlatformByName"
)
:
(
None
,
()),
(
"*"
,
"getRandomNumberSeed"
)
:
(
None
,
()),
(
"*"
,
"getReactionFieldDielectric"
)
:
(
"unit.dimensionless"
,
()),
(
"*"
,
"getSoluteDielectric"
)
:
(
"unit.dimensionless"
,
()),
(
"*"
,
"getSolventDielectric"
)
:
(
"unit.dimensionless"
,
()),
(
"*"
,
"getReactionFieldDielectric"
)
:
(
None
,
()),
(
"*"
,
"getSoluteDielectric"
)
:
(
None
,
()),
(
"*"
,
"getSolventDielectric"
)
:
(
None
,
()),
(
"*"
,
"getStepSize"
)
:
(
"unit.picosecond"
,
()),
(
"*"
,
"getSystem"
)
:
(
None
,
()),
(
"*"
,
"getUseDispersionCorrection"
)
:
(
None
,
()),
...
...
@@ -236,7 +236,7 @@ UNITS = {
(
"SerializationProxy"
,
"getTypeName"
)
:
(
None
,
()),
# check getSurfaceAreaFactor
(
"AmoebaGeneralizedKirkwoodForce"
,
"getParticleParameters"
)
:
(
None
,
(
'unit.elementary_charge'
,
'unit.nanometer'
,
'unit.dimensionless'
)),
(
"AmoebaGeneralizedKirkwoodForce"
,
"getParticleParameters"
)
:
(
None
,
(
'unit.elementary_charge'
,
'unit.nanometer'
,
None
)),
(
"AmoebaGeneralizedKirkwoodForce"
,
"getDielectricOffset"
)
:
(
'unit.nanometer'
,
()),
(
"AmoebaGeneralizedKirkwoodForce"
,
"getIncludeCavityTerm"
)
:
(
None
,()),
(
"AmoebaGeneralizedKirkwoodForce"
,
"getProbeRadius"
)
:
(
'unit.nanometer'
,
()),
...
...
@@ -317,7 +317,7 @@ UNITS = {
(
"AmoebaUreyBradleyForce"
,
"getAmoebaGlobalUreyBradleyQuartic"
)
:
(
None
,
()),
(
"AmoebaUreyBradleyForce"
,
"getUreyBradleyParameters"
)
:
(
None
,
(
None
,
None
,
'unit.nanometer'
,
'unit.kilojoule_per_mole/(unit.nanometer*unit.nanometer)'
)),
(
"AmoebaVdwForce"
,
"getParticleParameters"
)
:
(
None
,
(
'unit.dimensionless'
,
'unit.dimensionless'
,
'unit.dimensionless'
,
'unit.nanometer'
,
'unit.kilojoule_per_mole'
,
'unit.dimensionless'
)),
(
"AmoebaVdwForce"
,
"getParticleParameters"
)
:
(
None
,
(
None
,
None
,
None
,
'unit.nanometer'
,
'unit.kilojoule_per_mole'
,
None
)),
(
"AmoebaVdwForce"
,
"getSigmaCombiningRule"
)
:
(
None
,
()),
(
"AmoebaVdwForce"
,
"getEpsilonCombiningRule"
)
:
(
None
,
()),
(
"AmoebaVdwForce"
,
"getParticleExclusions"
)
:
(
None
,
()),
...
...
@@ -420,7 +420,7 @@ UNITS = {
(
"GBSAOBCForce"
,
"getNonbondedMethod"
)
:
(
None
,
()),
(
"GBSAOBCForce"
,
"getParticleParameters"
)
:
(
None
,
(
'unit.elementary_charge'
,
'unit.nanometer'
,
'unit.dimensionless'
)),
'unit.nanometer'
,
None
)),
(
"GBVIForce"
,
"getNonbondedMethod"
)
:
(
None
,
()),
(
"GBVIForce"
,
"getBornRadiusScalingMethod"
)
:
(
None
,
()),
(
"GBVIForce"
,
"getQuinticLowerLimitFactor"
)
:
(
None
,
()),
...
...
@@ -433,12 +433,12 @@ UNITS = {
(
"GBSAOBCSoftcoreForce"
,
"getNonbondedMethod"
)
:
(
None
,
()),
(
"GBSAOBCSoftcoreForce"
,
"getParticleParameters"
)
:
(
None
,
(
'unit.elementary_charge'
,
'unit.nanometer'
,
'unit.dimensionless'
,
'unit.dimensionless'
)),
None
,
None
)),
(
"GBSAOBCSoftcoreForce"
,
"getNonPolarPrefactor"
)
:
(
'unit.kilojoule_per_mole/(unit.nanometer*unit.nanometer)'
,
()),
(
"GBVISoftcoreForce"
,
"getParticleParameters"
)
:
(
None
,
(
'unit.elementary_charge'
,
'unit.nanometer'
,
'unit.kilojoule_per_mole'
,
'unit.dimensionless'
)),
'unit.kilojoule_per_mole'
,
None
)),
(
"GBVISoftcoreForce"
,
"getBondParameters"
)
:
(
None
,
(
None
,
None
,
'unit.nanometer'
)),
(
"GBVISoftcoreForce"
,
"getNonbondedMethod"
)
:
(
None
,
()),
...
...
@@ -463,12 +463,12 @@ UNITS = {
(
"NonbondedSoftcoreForce"
,
"getNonbondedMethod"
)
:
(
None
,
()),
(
"NonbondedSoftcoreForce"
,
"getParticleParameters"
)
:
(
None
,
(
'unit.elementary_charge'
,
'unit.nanometer'
,
'unit.kilojoule_per_mole'
,
'unit.dimensionless'
)),
'unit.kilojoule_per_mole'
,
None
)),
(
"NonbondedSoftcoreForce"
,
"getExceptionParameters"
)
:
(
None
,
(
None
,
None
,
'unit.elementary_charge*unit.elementary_charge'
,
'unit.nanometer'
,
'unit.kilojoule_per_mole'
,
'unit.dimensionless'
)),
None
)),
(
"PeriodicTorsionForce"
,
"getTorsionParameters"
)
:
(
None
,
(
None
,
None
,
None
,
None
,
None
,
'unit.radian'
,
'unit.kilojoule_per_mole'
)),
...
...
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