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Commit b54f589b authored by Mark Friedrichs's avatar Mark Friedrichs
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Removed unused accessor calls

parent e7c3e2af
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Showing with 16 additions and 16 deletions
plugins/amoeba/serialization/src/AmoebaGeneralizedKirkwoodForceProxy.cpp
View file @ b54f589b
......@@ -47,7 +47,7 @@ void AmoebaGeneralizedKirkwoodForceProxy::serialize(const void* object, Serializ
node.setDoubleProperty("GeneralizedKirkwoodSolventDielectric", force.getSolventDielectric() );
node.setDoubleProperty("GeneralizedKirkwoodSoluteDielectric", force.getSoluteDielectric() );
node.setDoubleProperty("GeneralizedKirkwoodDielectricOffset", force.getDielectricOffset() );
//node.setDoubleProperty("GeneralizedKirkwoodDielectricOffset", force.getDielectricOffset() );
node.setDoubleProperty("GeneralizedKirkwoodProbeRadius", force.getProbeRadius() );
node.setDoubleProperty("GeneralizedKirkwoodSurfaceAreaFactor", force.getSurfaceAreaFactor() );
node.setIntProperty( "GeneralizedKirkwoodIncludeCavityTerm", force.getIncludeCavityTerm() );
......@@ -69,7 +69,7 @@ void* AmoebaGeneralizedKirkwoodForceProxy::deserialize(const SerializationNode&
force->setSolventDielectric( node.getDoubleProperty( "GeneralizedKirkwoodSolventDielectric" ) );
force->setSoluteDielectric( node.getDoubleProperty( "GeneralizedKirkwoodSoluteDielectric" ) );
force->setDielectricOffset( node.getDoubleProperty( "GeneralizedKirkwoodDielectricOffset" ) );
//force->setDielectricOffset( node.getDoubleProperty( "GeneralizedKirkwoodDielectricOffset" ) );
force->setProbeRadius( node.getDoubleProperty( "GeneralizedKirkwoodProbeRadius" ) );
force->setSurfaceAreaFactor( node.getDoubleProperty( "GeneralizedKirkwoodSurfaceAreaFactor" ) );
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&
node.setIntProperty("nonbondedMethod", force.getNonbondedMethod());
node.setIntProperty("polarizationType", force.getPolarizationType());
node.setIntProperty("pmeBSplineOrder", force.getPmeBSplineOrder());
node.setIntProperty("mutualInducedIterationMethod", force.getMutualInducedIterationMethod());
//node.setIntProperty("pmeBSplineOrder", force.getPmeBSplineOrder());
//node.setIntProperty("mutualInducedIterationMethod", force.getMutualInducedIterationMethod());
node.setIntProperty("mutualInducedMaxIterations", force.getMutualInducedMaxIterations());
node.setDoubleProperty("cutoffDistance", force.getCutoffDistance());
node.setDoubleProperty("aEwald", force.getAEwald());
node.setDoubleProperty("mutualInducedTargetEpsilon", force.getMutualInducedTargetEpsilon());
node.setDoubleProperty("electricConstant", force.getElectricConstant());
//node.setDoubleProperty("electricConstant", force.getElectricConstant());
node.setDoubleProperty("ewaldErrorTolerance", force.getEwaldErrorTolerance());
std::vector<int> gridDimensions;
......@@ -136,14 +136,14 @@ void* AmoebaMultipoleForceProxy::deserialize(const SerializationNode& node) cons
if( node.getIntProperty("version") == 2 ){
force->setPolarizationType( static_cast<AmoebaMultipoleForce::AmoebaPolarizationType>(node.getIntProperty( "polarizationType" )) );
}
force->setPmeBSplineOrder( node.getIntProperty( "pmeBSplineOrder" ) );
force->setMutualInducedIterationMethod( static_cast<AmoebaMultipoleForce::MutualInducedIterationMethod>(node.getIntProperty( "mutualInducedIterationMethod" ) ) );
//force->setPmeBSplineOrder( node.getIntProperty( "pmeBSplineOrder" ) );
//force->setMutualInducedIterationMethod( static_cast<AmoebaMultipoleForce::MutualInducedIterationMethod>(node.getIntProperty( "mutualInducedIterationMethod" ) ) );
force->setMutualInducedMaxIterations( node.getIntProperty( "mutualInducedMaxIterations" ) );
force->setCutoffDistance( node.getDoubleProperty( "cutoffDistance" ) );
force->setAEwald( node.getDoubleProperty( "aEwald" ) );
force->setMutualInducedTargetEpsilon( node.getDoubleProperty( "mutualInducedTargetEpsilon" ) );
force->setElectricConstant( node.getDoubleProperty( "electricConstant" ) );
//force->setElectricConstant( node.getDoubleProperty( "electricConstant" ) );
force->setEwaldErrorTolerance( node.getDoubleProperty( "ewaldErrorTolerance" ) );
std::vector<int> gridDimensions;
......
plugins/amoeba/serialization/tests/TestSerializeAmoebaGeneralizedKirkwoodForce.cpp
View file @ b54f589b
......@@ -44,7 +44,7 @@ void testSerialization() {
AmoebaGeneralizedKirkwoodForce force1;
force1.setSolventDielectric( 80.0 );
force1.setSoluteDielectric( 1.0 );
force1.setDielectricOffset( 0.09 );
//force1.setDielectricOffset( 0.09 );
force1.setProbeRadius( 1.40 );
force1.setSurfaceAreaFactor( 0.888 );
force1.setIncludeCavityTerm( 1 );
......@@ -71,7 +71,7 @@ void testSerialization() {
AmoebaGeneralizedKirkwoodForce& force2 = *copy;
ASSERT_EQUAL(force1.getSolventDielectric(), force2.getSolventDielectric());
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.getSurfaceAreaFactor(), force2.getSurfaceAreaFactor());
ASSERT_EQUAL(force1.getIncludeCavityTerm(), force2.getIncludeCavityTerm());
......
plugins/amoeba/serialization/tests/TestSerializeAmoebaMultipoleForce.cpp
View file @ b54f589b
......@@ -59,17 +59,17 @@ void testSerialization() {
force1.setNonbondedMethod( AmoebaMultipoleForce::NoCutoff );
force1.setCutoffDistance( 0.9 );
force1.setAEwald( 0.544 );
force1.setPmeBSplineOrder( 4 );
//force1.setPmeBSplineOrder( 4 );
std::vector<int> gridDimension;
gridDimension.push_back( 64 );
gridDimension.push_back( 63 );
gridDimension.push_back( 61 );
force1.setPmeGridDimensions( gridDimension );
force1.setMutualInducedIterationMethod( AmoebaMultipoleForce::SOR );
//force1.setMutualInducedIterationMethod( AmoebaMultipoleForce::SOR );
force1.setMutualInducedMaxIterations( 200 );
force1.setMutualInducedTargetEpsilon( 1.0e-05 );
force1.setElectricConstant( 138.93 );
//force1.setElectricConstant( 138.93 );
force1.setEwaldErrorTolerance( 1.0e-05 );
std::vector<std::string> covalentTypes;
......@@ -112,11 +112,11 @@ void testSerialization() {
ASSERT_EQUAL(force1.getCutoffDistance(), force2.getCutoffDistance());
ASSERT_EQUAL(force1.getNonbondedMethod(), force2.getNonbondedMethod());
ASSERT_EQUAL(force1.getAEwald(), force2.getAEwald());
ASSERT_EQUAL(force1.getPmeBSplineOrder(), force2.getPmeBSplineOrder());
ASSERT_EQUAL(force1.getMutualInducedIterationMethod(), force2.getMutualInducedIterationMethod());
//ASSERT_EQUAL(force1.getPmeBSplineOrder(), force2.getPmeBSplineOrder());
//ASSERT_EQUAL(force1.getMutualInducedIterationMethod(), force2.getMutualInducedIterationMethod());
ASSERT_EQUAL(force1.getMutualInducedMaxIterations(), force2.getMutualInducedMaxIterations());
ASSERT_EQUAL(force1.getMutualInducedTargetEpsilon(), force2.getMutualInducedTargetEpsilon());
ASSERT_EQUAL(force1.getElectricConstant(), force2.getElectricConstant());
//ASSERT_EQUAL(force1.getElectricConstant(), force2.getElectricConstant());
ASSERT_EQUAL(force1.getEwaldErrorTolerance(), force2.getEwaldErrorTolerance());
......
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