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tsoc
openmm
Commits
b54f589b
Commit
b54f589b
authored
Nov 05, 2011
by
Mark Friedrichs
Browse files
Removed unused accessor calls
parent
e7c3e2af
Changes
4
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4 changed files
with
16 additions
and
16 deletions
+16
-16
plugins/amoeba/serialization/src/AmoebaGeneralizedKirkwoodForceProxy.cpp
...serialization/src/AmoebaGeneralizedKirkwoodForceProxy.cpp
+2
-2
plugins/amoeba/serialization/src/AmoebaMultipoleForceProxy.cpp
...ns/amoeba/serialization/src/AmoebaMultipoleForceProxy.cpp
+6
-6
plugins/amoeba/serialization/tests/TestSerializeAmoebaGeneralizedKirkwoodForce.cpp
...ion/tests/TestSerializeAmoebaGeneralizedKirkwoodForce.cpp
+2
-2
plugins/amoeba/serialization/tests/TestSerializeAmoebaMultipoleForce.cpp
...serialization/tests/TestSerializeAmoebaMultipoleForce.cpp
+6
-6
No files found.
plugins/amoeba/serialization/src/AmoebaGeneralizedKirkwoodForceProxy.cpp
View file @
b54f589b
...
@@ -47,7 +47,7 @@ void AmoebaGeneralizedKirkwoodForceProxy::serialize(const void* object, Serializ
...
@@ -47,7 +47,7 @@ void AmoebaGeneralizedKirkwoodForceProxy::serialize(const void* object, Serializ
node
.
setDoubleProperty
(
"GeneralizedKirkwoodSolventDielectric"
,
force
.
getSolventDielectric
()
);
node
.
setDoubleProperty
(
"GeneralizedKirkwoodSolventDielectric"
,
force
.
getSolventDielectric
()
);
node
.
setDoubleProperty
(
"GeneralizedKirkwoodSoluteDielectric"
,
force
.
getSoluteDielectric
()
);
node
.
setDoubleProperty
(
"GeneralizedKirkwoodSoluteDielectric"
,
force
.
getSoluteDielectric
()
);
node
.
setDoubleProperty
(
"GeneralizedKirkwoodDielectricOffset"
,
force
.
getDielectricOffset
()
);
//
node.setDoubleProperty("GeneralizedKirkwoodDielectricOffset", force.getDielectricOffset() );
node
.
setDoubleProperty
(
"GeneralizedKirkwoodProbeRadius"
,
force
.
getProbeRadius
()
);
node
.
setDoubleProperty
(
"GeneralizedKirkwoodProbeRadius"
,
force
.
getProbeRadius
()
);
node
.
setDoubleProperty
(
"GeneralizedKirkwoodSurfaceAreaFactor"
,
force
.
getSurfaceAreaFactor
()
);
node
.
setDoubleProperty
(
"GeneralizedKirkwoodSurfaceAreaFactor"
,
force
.
getSurfaceAreaFactor
()
);
node
.
setIntProperty
(
"GeneralizedKirkwoodIncludeCavityTerm"
,
force
.
getIncludeCavityTerm
()
);
node
.
setIntProperty
(
"GeneralizedKirkwoodIncludeCavityTerm"
,
force
.
getIncludeCavityTerm
()
);
...
@@ -69,7 +69,7 @@ void* AmoebaGeneralizedKirkwoodForceProxy::deserialize(const SerializationNode&
...
@@ -69,7 +69,7 @@ void* AmoebaGeneralizedKirkwoodForceProxy::deserialize(const SerializationNode&
force
->
setSolventDielectric
(
node
.
getDoubleProperty
(
"GeneralizedKirkwoodSolventDielectric"
)
);
force
->
setSolventDielectric
(
node
.
getDoubleProperty
(
"GeneralizedKirkwoodSolventDielectric"
)
);
force
->
setSoluteDielectric
(
node
.
getDoubleProperty
(
"GeneralizedKirkwoodSoluteDielectric"
)
);
force
->
setSoluteDielectric
(
node
.
getDoubleProperty
(
"GeneralizedKirkwoodSoluteDielectric"
)
);
force
->
setDielectricOffset
(
node
.
getDoubleProperty
(
"GeneralizedKirkwoodDielectricOffset"
)
);
//
force->setDielectricOffset( node.getDoubleProperty( "GeneralizedKirkwoodDielectricOffset" ) );
force
->
setProbeRadius
(
node
.
getDoubleProperty
(
"GeneralizedKirkwoodProbeRadius"
)
);
force
->
setProbeRadius
(
node
.
getDoubleProperty
(
"GeneralizedKirkwoodProbeRadius"
)
);
force
->
setSurfaceAreaFactor
(
node
.
getDoubleProperty
(
"GeneralizedKirkwoodSurfaceAreaFactor"
)
);
force
->
setSurfaceAreaFactor
(
node
.
getDoubleProperty
(
"GeneralizedKirkwoodSurfaceAreaFactor"
)
);
force
->
setIncludeCavityTerm
(
node
.
getIntProperty
(
"GeneralizedKirkwoodIncludeCavityTerm"
)
);
force
->
setIncludeCavityTerm
(
node
.
getIntProperty
(
"GeneralizedKirkwoodIncludeCavityTerm"
)
);
...
...
plugins/amoeba/serialization/src/AmoebaMultipoleForceProxy.cpp
View file @
b54f589b
...
@@ -75,14 +75,14 @@ void AmoebaMultipoleForceProxy::serialize(const void* object, SerializationNode&
...
@@ -75,14 +75,14 @@ void AmoebaMultipoleForceProxy::serialize(const void* object, SerializationNode&
node
.
setIntProperty
(
"nonbondedMethod"
,
force
.
getNonbondedMethod
());
node
.
setIntProperty
(
"nonbondedMethod"
,
force
.
getNonbondedMethod
());
node
.
setIntProperty
(
"polarizationType"
,
force
.
getPolarizationType
());
node
.
setIntProperty
(
"polarizationType"
,
force
.
getPolarizationType
());
node
.
setIntProperty
(
"pmeBSplineOrder"
,
force
.
getPmeBSplineOrder
());
//
node.setIntProperty("pmeBSplineOrder", force.getPmeBSplineOrder());
node
.
setIntProperty
(
"mutualInducedIterationMethod"
,
force
.
getMutualInducedIterationMethod
());
//
node.setIntProperty("mutualInducedIterationMethod", force.getMutualInducedIterationMethod());
node
.
setIntProperty
(
"mutualInducedMaxIterations"
,
force
.
getMutualInducedMaxIterations
());
node
.
setIntProperty
(
"mutualInducedMaxIterations"
,
force
.
getMutualInducedMaxIterations
());
node
.
setDoubleProperty
(
"cutoffDistance"
,
force
.
getCutoffDistance
());
node
.
setDoubleProperty
(
"cutoffDistance"
,
force
.
getCutoffDistance
());
node
.
setDoubleProperty
(
"aEwald"
,
force
.
getAEwald
());
node
.
setDoubleProperty
(
"aEwald"
,
force
.
getAEwald
());
node
.
setDoubleProperty
(
"mutualInducedTargetEpsilon"
,
force
.
getMutualInducedTargetEpsilon
());
node
.
setDoubleProperty
(
"mutualInducedTargetEpsilon"
,
force
.
getMutualInducedTargetEpsilon
());
node
.
setDoubleProperty
(
"electricConstant"
,
force
.
getElectricConstant
());
//
node.setDoubleProperty("electricConstant", force.getElectricConstant());
node
.
setDoubleProperty
(
"ewaldErrorTolerance"
,
force
.
getEwaldErrorTolerance
());
node
.
setDoubleProperty
(
"ewaldErrorTolerance"
,
force
.
getEwaldErrorTolerance
());
std
::
vector
<
int
>
gridDimensions
;
std
::
vector
<
int
>
gridDimensions
;
...
@@ -136,14 +136,14 @@ void* AmoebaMultipoleForceProxy::deserialize(const SerializationNode& node) cons
...
@@ -136,14 +136,14 @@ void* AmoebaMultipoleForceProxy::deserialize(const SerializationNode& node) cons
if
(
node
.
getIntProperty
(
"version"
)
==
2
){
if
(
node
.
getIntProperty
(
"version"
)
==
2
){
force
->
setPolarizationType
(
static_cast
<
AmoebaMultipoleForce
::
AmoebaPolarizationType
>
(
node
.
getIntProperty
(
"polarizationType"
))
);
force
->
setPolarizationType
(
static_cast
<
AmoebaMultipoleForce
::
AmoebaPolarizationType
>
(
node
.
getIntProperty
(
"polarizationType"
))
);
}
}
force
->
setPmeBSplineOrder
(
node
.
getIntProperty
(
"pmeBSplineOrder"
)
);
//
force->setPmeBSplineOrder( node.getIntProperty( "pmeBSplineOrder" ) );
force
->
setMutualInducedIterationMethod
(
static_cast
<
AmoebaMultipoleForce
::
MutualInducedIterationMethod
>
(
node
.
getIntProperty
(
"mutualInducedIterationMethod"
)
)
);
//
force->setMutualInducedIterationMethod( static_cast<AmoebaMultipoleForce::MutualInducedIterationMethod>(node.getIntProperty( "mutualInducedIterationMethod" ) ) );
force
->
setMutualInducedMaxIterations
(
node
.
getIntProperty
(
"mutualInducedMaxIterations"
)
);
force
->
setMutualInducedMaxIterations
(
node
.
getIntProperty
(
"mutualInducedMaxIterations"
)
);
force
->
setCutoffDistance
(
node
.
getDoubleProperty
(
"cutoffDistance"
)
);
force
->
setCutoffDistance
(
node
.
getDoubleProperty
(
"cutoffDistance"
)
);
force
->
setAEwald
(
node
.
getDoubleProperty
(
"aEwald"
)
);
force
->
setAEwald
(
node
.
getDoubleProperty
(
"aEwald"
)
);
force
->
setMutualInducedTargetEpsilon
(
node
.
getDoubleProperty
(
"mutualInducedTargetEpsilon"
)
);
force
->
setMutualInducedTargetEpsilon
(
node
.
getDoubleProperty
(
"mutualInducedTargetEpsilon"
)
);
force
->
setElectricConstant
(
node
.
getDoubleProperty
(
"electricConstant"
)
);
//
force->setElectricConstant( node.getDoubleProperty( "electricConstant" ) );
force
->
setEwaldErrorTolerance
(
node
.
getDoubleProperty
(
"ewaldErrorTolerance"
)
);
force
->
setEwaldErrorTolerance
(
node
.
getDoubleProperty
(
"ewaldErrorTolerance"
)
);
std
::
vector
<
int
>
gridDimensions
;
std
::
vector
<
int
>
gridDimensions
;
...
...
plugins/amoeba/serialization/tests/TestSerializeAmoebaGeneralizedKirkwoodForce.cpp
View file @
b54f589b
...
@@ -44,7 +44,7 @@ void testSerialization() {
...
@@ -44,7 +44,7 @@ void testSerialization() {
AmoebaGeneralizedKirkwoodForce
force1
;
AmoebaGeneralizedKirkwoodForce
force1
;
force1
.
setSolventDielectric
(
80.0
);
force1
.
setSolventDielectric
(
80.0
);
force1
.
setSoluteDielectric
(
1.0
);
force1
.
setSoluteDielectric
(
1.0
);
force1
.
setDielectricOffset
(
0.09
);
//
force1.setDielectricOffset( 0.09 );
force1
.
setProbeRadius
(
1.40
);
force1
.
setProbeRadius
(
1.40
);
force1
.
setSurfaceAreaFactor
(
0.888
);
force1
.
setSurfaceAreaFactor
(
0.888
);
force1
.
setIncludeCavityTerm
(
1
);
force1
.
setIncludeCavityTerm
(
1
);
...
@@ -71,7 +71,7 @@ void testSerialization() {
...
@@ -71,7 +71,7 @@ void testSerialization() {
AmoebaGeneralizedKirkwoodForce
&
force2
=
*
copy
;
AmoebaGeneralizedKirkwoodForce
&
force2
=
*
copy
;
ASSERT_EQUAL
(
force1
.
getSolventDielectric
(),
force2
.
getSolventDielectric
());
ASSERT_EQUAL
(
force1
.
getSolventDielectric
(),
force2
.
getSolventDielectric
());
ASSERT_EQUAL
(
force1
.
getSoluteDielectric
(),
force2
.
getSoluteDielectric
());
ASSERT_EQUAL
(
force1
.
getSoluteDielectric
(),
force2
.
getSoluteDielectric
());
ASSERT_EQUAL
(
force1
.
getDielectricOffset
(),
force2
.
getDielectricOffset
());
//
ASSERT_EQUAL(force1.getDielectricOffset(), force2.getDielectricOffset());
ASSERT_EQUAL
(
force1
.
getProbeRadius
(),
force2
.
getProbeRadius
());
ASSERT_EQUAL
(
force1
.
getProbeRadius
(),
force2
.
getProbeRadius
());
ASSERT_EQUAL
(
force1
.
getSurfaceAreaFactor
(),
force2
.
getSurfaceAreaFactor
());
ASSERT_EQUAL
(
force1
.
getSurfaceAreaFactor
(),
force2
.
getSurfaceAreaFactor
());
ASSERT_EQUAL
(
force1
.
getIncludeCavityTerm
(),
force2
.
getIncludeCavityTerm
());
ASSERT_EQUAL
(
force1
.
getIncludeCavityTerm
(),
force2
.
getIncludeCavityTerm
());
...
...
plugins/amoeba/serialization/tests/TestSerializeAmoebaMultipoleForce.cpp
View file @
b54f589b
...
@@ -59,17 +59,17 @@ void testSerialization() {
...
@@ -59,17 +59,17 @@ void testSerialization() {
force1
.
setNonbondedMethod
(
AmoebaMultipoleForce
::
NoCutoff
);
force1
.
setNonbondedMethod
(
AmoebaMultipoleForce
::
NoCutoff
);
force1
.
setCutoffDistance
(
0.9
);
force1
.
setCutoffDistance
(
0.9
);
force1
.
setAEwald
(
0.544
);
force1
.
setAEwald
(
0.544
);
force1
.
setPmeBSplineOrder
(
4
);
//
force1.setPmeBSplineOrder( 4 );
std
::
vector
<
int
>
gridDimension
;
std
::
vector
<
int
>
gridDimension
;
gridDimension
.
push_back
(
64
);
gridDimension
.
push_back
(
64
);
gridDimension
.
push_back
(
63
);
gridDimension
.
push_back
(
63
);
gridDimension
.
push_back
(
61
);
gridDimension
.
push_back
(
61
);
force1
.
setPmeGridDimensions
(
gridDimension
);
force1
.
setPmeGridDimensions
(
gridDimension
);
force1
.
setMutualInducedIterationMethod
(
AmoebaMultipoleForce
::
SOR
);
//
force1.setMutualInducedIterationMethod( AmoebaMultipoleForce::SOR );
force1
.
setMutualInducedMaxIterations
(
200
);
force1
.
setMutualInducedMaxIterations
(
200
);
force1
.
setMutualInducedTargetEpsilon
(
1.0e-05
);
force1
.
setMutualInducedTargetEpsilon
(
1.0e-05
);
force1
.
setElectricConstant
(
138.93
);
//
force1.setElectricConstant( 138.93 );
force1
.
setEwaldErrorTolerance
(
1.0e-05
);
force1
.
setEwaldErrorTolerance
(
1.0e-05
);
std
::
vector
<
std
::
string
>
covalentTypes
;
std
::
vector
<
std
::
string
>
covalentTypes
;
...
@@ -112,11 +112,11 @@ void testSerialization() {
...
@@ -112,11 +112,11 @@ void testSerialization() {
ASSERT_EQUAL
(
force1
.
getCutoffDistance
(),
force2
.
getCutoffDistance
());
ASSERT_EQUAL
(
force1
.
getCutoffDistance
(),
force2
.
getCutoffDistance
());
ASSERT_EQUAL
(
force1
.
getNonbondedMethod
(),
force2
.
getNonbondedMethod
());
ASSERT_EQUAL
(
force1
.
getNonbondedMethod
(),
force2
.
getNonbondedMethod
());
ASSERT_EQUAL
(
force1
.
getAEwald
(),
force2
.
getAEwald
());
ASSERT_EQUAL
(
force1
.
getAEwald
(),
force2
.
getAEwald
());
ASSERT_EQUAL
(
force1
.
getPmeBSplineOrder
(),
force2
.
getPmeBSplineOrder
());
//
ASSERT_EQUAL(force1.getPmeBSplineOrder(), force2.getPmeBSplineOrder());
ASSERT_EQUAL
(
force1
.
getMutualInducedIterationMethod
(),
force2
.
getMutualInducedIterationMethod
());
//
ASSERT_EQUAL(force1.getMutualInducedIterationMethod(), force2.getMutualInducedIterationMethod());
ASSERT_EQUAL
(
force1
.
getMutualInducedMaxIterations
(),
force2
.
getMutualInducedMaxIterations
());
ASSERT_EQUAL
(
force1
.
getMutualInducedMaxIterations
(),
force2
.
getMutualInducedMaxIterations
());
ASSERT_EQUAL
(
force1
.
getMutualInducedTargetEpsilon
(),
force2
.
getMutualInducedTargetEpsilon
());
ASSERT_EQUAL
(
force1
.
getMutualInducedTargetEpsilon
(),
force2
.
getMutualInducedTargetEpsilon
());
ASSERT_EQUAL
(
force1
.
getElectricConstant
(),
force2
.
getElectricConstant
());
//
ASSERT_EQUAL(force1.getElectricConstant(), force2.getElectricConstant());
ASSERT_EQUAL
(
force1
.
getEwaldErrorTolerance
(),
force2
.
getEwaldErrorTolerance
());
ASSERT_EQUAL
(
force1
.
getEwaldErrorTolerance
(),
force2
.
getEwaldErrorTolerance
());
...
...
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