EquilibriumConstantFitTest.C File Reference

Go to the source code of this file.

Functions
	TEST (EquilibriumConstantFitTest, constructor)
	TEST (EquilibriumConstantFitTest, sample)

Variables
const double	tol = 1.0e-6
const std::vector< double >	x = {273.15, 298.15, 333.15, 373.15, 423.15, 473.15, 523.15, 573.15}
const std::vector< double >	y

Function Documentation

TEST() [1/2]

TEST	(	EquilibriumConstantFitTest	,
		constructor
	)

Definition at line 21 of file EquilibriumConstantFitTest.C.

{
  EquilibriumConstantFit logk(x, y);
  EXPECT_EQ(logk.getSampleSize(), x.size());
}

TEST() [2/2]

TEST	(	EquilibriumConstantFitTest	,
		sample
	)

Definition at line 27 of file EquilibriumConstantFitTest.C.

{
  EquilibriumConstantFit logk(x, y);
  logk.generate();
 
  // Compare with values calculated using scipy.optimize.curve_fit
  EXPECT_NEAR(logk.sample(x[1]), 13.991103115875013, tol);
  EXPECT_NEAR(logk.sample(x[2]), 13.028890219017683, tol);
  EXPECT_NEAR(logk.sample(x[3]), 12.259284844918287, tol);
  EXPECT_NEAR(logk.sample(x[4]), 11.627599702911748, tol);
  EXPECT_NEAR(logk.sample(x[5]), 11.278660590504469, tol);
}

Variable Documentation

tol

const double tol = 1.0e-6

Definition at line 16 of file EquilibriumConstantFitTest.C.

Referenced by THM::absoluteFuzzyEqualVectors(), THM::areParallelVectors(), PolygonMeshGeneratorBase::azimuthalAnglesCollector(), PolygonMeshGeneratorBase::azimuthalAnglesCollector(), WCNSLinearFVTwoPhaseMixturePhysics::checkIntegrity(), PeridynamicsMesh::checkPointInsideRectangle(), KKSXeVacSolidMaterial::computeD2F(), KKSXeVacSolidMaterial::computeDF(), ComputePolycrystalElasticityTensor::computeQpElasticityTensor(), ADInterfaceOrientationMaterial::computeQpProperties(), InterfaceOrientationMaterial::computeQpProperties(), InterfaceOrientationMultiphaseMaterial::computeQpProperties(), NSFVFunctorHeatFluxBC::computeQpResidual(), NSFVHeatFluxBC::computeQpResidual(), SubChannel1PhaseProblem::detectDeformation(), FiniteStrainPlasticMaterial::getYieldStress(), THM::haveSameDirection(), Beta::incompleteBeta(), Beta::incompleteBetaInv(), Gamma::incompleteGamma(), Gamma::incompleteGammaInv(), SolidMechanicsPlasticMohrCoulombMulti::returnEdge000101(), SolidMechanicsPlasticMohrCoulombMulti::returnEdge010100(), BrentsMethod::root(), AdjointSolve::solve(), PorousFlowBrineCO2::solveEquilibriumMoleFractionHighTemp(), TEST(), TEST(), TEST(), TEST(), TEST(), TEST(), TEST(), TEST(), TEST(), TEST(), TEST(), TEST(), TEST(), TEST(), TEST(), TEST(), TEST(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), and TEST_F().

x

const std::vector<double> x = {273.15, 298.15, 333.15, 373.15, 423.15, 473.15, 523.15, 573.15}

Definition at line 17 of file EquilibriumConstantFitTest.C.

{273.15, 298.15, 333.15, 373.15, 423.15, 473.15, 523.15, 573.15};

Referenced by MaterialVectorGradAuxKernelAction::act(), MatVecRealGradAuxKernelAction::act(), MultiAuxVariablesAction::act(), INSFVVelocityVariable::adGradSln(), PolycrystalVoronoi::buildSearchTree(), calculate(), FiniteStrainCPSlipRateRes::calcUpdate(), Beta::cdf(), FDistribution::cdf(), Gamma::cdf(), JohnsonSB::cdf(), KernelDensity1D::cdf(), Logistic::cdf(), Lognormal::cdf(), Maxwellian::cdf(), Normal::cdf(), StudentT::cdf(), TruncatedNormal::cdf(), Uniform::cdf(), Weibull::cdf(), JohnsonSB::cdf(), Beta::cdf(), Gamma::cdf(), KernelDensity1D::cdf(), Lognormal::cdf(), Weibull::cdf(), Logistic::cdf(), Uniform::cdf(), Maxwellian::cdf(), Normal::cdf(), TruncatedNormal::cdf(), FDistribution::cdf(), StudentT::cdf(), RayTracingAngularQuadrature::chebyshev(), SelfShadowSideUserObject::check2DIllumination(), SelfShadowSideUserObject::check3DIllumination(), MultiPlasticityDebugger::checkSolution(), StochasticTools::BiasCorrectedAccelerated< InType, OutType >::compute(), StochasticTools::BiasCorrectedAccelerated< std::vector< InType >, std::vector< OutType > >::compute(), PolynomialQuadrature::Legendre::compute(), PolynomialQuadrature::Hermite::compute(), ClosePackIC::computeCircleCenters(), ExponentialCovariance::computeCovarianceMatrix(), LMC::computeCovarianceMatrix(), MaternHalfIntCovariance::computeCovarianceMatrix(), SquaredExponentialCovariance::computeCovarianceMatrix(), PolynomialChaos::computeDerivative(), PolynomialQuadrature::Legendre::computeDerivative(), PolynomialQuadrature::Hermite::computeDerivative(), ExponentialCovariance::computedKdhyper(), LMC::computedKdhyper(), MaternHalfIntCovariance::computedKdhyper(), SquaredExponentialCovariance::computedKdhyper(), SquaredExponentialCovariance::computedKdlf(), ExponentialCovariance::computedKdlf(), MaternHalfIntCovariance::computedKdlf(), MorrisReporterContext< DataType >::computeElementaryEffects(), MorrisReporterContext< DataType >::computeElementaryEffects(), ADComputeIncrementalShellStrain::computeGMatrix(), PolynomialChaos::computePartialDerivative(), GrandPotentialSinteringMaterial::computeQpProperties(), InclusionProperties::computeQpProperties(), FunctionPathEllipsoidHeatSource::computeQpProperties(), ADSmoothTransitionTestMaterial::computeQpProperties(), SmoothTransitionTestMaterial::computeQpProperties(), GaussContForcing::computeQpResidual(), ADInertialForceShell::computeShellInertialForces(), AdaptiveMonteCarloUtils::computeSTD(), ComputeBlockOrientationByRotation::computeSubdomainEulerAngles(), SalehaniIrani3DCTraction::computeTraction(), SalehaniIrani3DCTraction::computeTractionDerivatives(), SurrogateModelAuxKernelTempl< ComputeValueType >::computeValue(), SurrogateModelAuxKernelTempl< ComputeValueType >::computeValue(), SurrogateModelScalarAux::computeValue(), LAROMANCEStressUpdateBaseTempl< is_ad >::convertValue(), OptUtils::copyPetscMatrixIntoReporter(), OptUtils::copyPetscVectorIntoReporter(), OptUtils::copyReporterIntoPetscMatrix(), OptUtils::copyReporterIntoPetscVector(), EFAPoint::cross(), PorousFlowCubic::cubic(), PolygonMeshGeneratorBase::cutOffPolyDeform(), CaloricallyImperfectGas::cv_from_v_e(), PorousFlowBroadbridgeWhite::d2EffectiveSaturation(), PorousFlowRogersStallybrassClements::d2EffectiveSaturation(), SolidMechanicsPlasticMohrCoulomb::d2smooth(), SolidMechanicsPlasticTensile::d2smooth(), SolidMechanicsPlasticWeakPlaneShear::d2smooth(), PorousFlowCubic::dcubic(), PorousFlowBroadbridgeWhite::dEffectiveSaturation(), PorousFlowRogersStallybrassClements::dEffectiveSaturation(), CubicTransition::derivative(), WeightedTransition::derivative(), SolidMechanicsHardeningCubic::derivative(), SolidMechanicsHardeningCutExponential::derivative(), SolidMechanicsHardeningGaussian::derivative(), ADSmoothTransitionTestMaterial::df2dx(), SmoothTransitionTestMaterial::df2dx(), PorousFlowHalfCubicSink::dmultiplier_dvar(), SolidMechanicsPlasticMohrCoulomb::dsmooth(), SolidMechanicsPlasticTensile::dsmooth(), SolidMechanicsPlasticWeakPlaneShear::dsmooth(), SCMQuadDuctMeshGenerator::ductCrossSec(), CaloricallyImperfectGas::e_from_p_T(), BrineFluidProperties::e_from_p_T_X(), CaloricallyImperfectGas::e_from_T_v(), PorousFlowBroadbridgeWhite::effectiveSaturation(), PorousFlowRogersStallybrassClements::effectiveSaturation(), Eggholder::eggholder(), ElementLoopUserObject::ElementLoopUserObject(), SurrogateModel::evaluate(), LibtorchANNSurrogate::evaluate(), NearestPointSurrogate::evaluate(), PolynomialChaos::evaluate(), PolynomialRegressionSurrogate::evaluate(), SurrogateModel::evaluate(), SurrogateModel::evaluate(), NearestPointSurrogate::evaluate(), PolynomialRegressionSurrogate::evaluate(), SurrogateModel::evaluate(), GaussianProcessSurrogate::evaluate(), Legendre::evaluateOrthonormal(), Legendre::evaluateStandard(), GFunction::execute(), nDRosenbrock::execute(), ExponentialCovariance::ExponentialFunction(), f(), ADSmoothTransitionTestMaterial::f1(), SmoothTransitionTestMaterial::f1(), ADSmoothTransitionTestMaterial::f2(), SmoothTransitionTestMaterial::f2(), MorrisReporterContext< DataType >::finalize(), NearestPointSurrogate::findNearestPoint(), FormInitialSolution(), FourierNoise::FourierNoise(), PolygonMeshGeneratorBase::fourPointIntercept(), PorousFlowBrineCO2::funcABHighTemp(), ExtremeValue::function(), ExtremeValue::function(), Gaussian::function(), LinearSum::function(), TruncatedGaussian::function(), Eggholder::function(), Rosenbrock::function(), CaloricallyImperfectGas::gamma_from_p_T(), CaloricallyImperfectGas::gamma_from_v_e(), RayTracingAngularQuadrature::gaussLegendre(), LevelSetOlssonPlane::gradient(), CrackMeshCut3DUserObject::growFront(), MeshCut2DUserObjectBase::growFront(), BrineFluidProperties::h_from_p_T_X(), BrineFluidProperties::h_from_p_T_X(), PolynomialQuadrature::hermite(), RankTwoScalarTools::hoopStress(), Beta::incompleteBeta(), Beta::incompleteBetaInv(), Gamma::incompleteGamma(), Gamma::incompleteGammaInv(), SolutionRasterizer::initialSetup(), C1ICBase::interfaceDerivative(), C1ICBase::interfaceValue(), PolynomialQuadrature::legendre(), MaternHalfIntCovariance::maternHalfIntFunction(), IdealGasMixtureFluidProperties::mixtureMolarMass(), IdealGasMixtureFluidProperties::mixtureMolarMass(), IdealGasMixtureFluidProperties::mixtureMolarMass_templ(), IdealGasMixtureFluidProperties::mixtureSpecificHeatRatio(), IdealGasMixtureFluidProperties::mixtureSpecificHeatRatio(), IdealGasMixtureFluidProperties::mixtureSpecificHeatRatio_templ(), IdealGasMixtureFluidProperties::molarFractionsFromMassFractions(), IdealGasMixtureFluidProperties::molarFractionsFromMassFractions(), IdealGasMixtureFluidProperties::molarFractionsFromMassFractions_templ(), PorousFlowHalfCubicSink::multiplier(), FluidPropertiesUtils::NewtonSolve(), PolygonMeshGeneratorBase::nodeCoordRotate(), LAROMANCEStressUpdateBaseTempl< is_ad >::normalizeInput(), OptimizeSolve::objectiveAndGradientFunctionWrapper(), OptimizeSolve::objectiveFunctionWrapper(), CaloricallyImperfectGas::p_from_v_e(), Beta::pdf(), FDistribution::pdf(), Gamma::pdf(), JohnsonSB::pdf(), KernelDensity1D::pdf(), Logistic::pdf(), Lognormal::pdf(), Maxwellian::pdf(), Normal::pdf(), StudentT::pdf(), TruncatedNormal::pdf(), Uniform::pdf(), Weibull::pdf(), JohnsonSB::pdf(), Beta::pdf(), Gamma::pdf(), KernelDensity1D::pdf(), Lognormal::pdf(), Weibull::pdf(), Logistic::pdf(), Maxwellian::pdf(), Normal::pdf(), TruncatedNormal::pdf(), FDistribution::pdf(), StudentT::pdf(), PeripheralTriangleMeshGenerator::PeripheralTriangleMeshGenerator(), SubChannel1PhaseProblem::petscSnesSolver(), SubChannel1PhaseProblem::populateDenseFromVector(), SubChannel1PhaseProblem::populateSolutionChan(), SubChannel1PhaseProblem::populateVectorFromDense(), SubChannel1PhaseProblem::populateVectorFromHandle(), VaporMixtureFluidProperties::primaryMassFraction(), Normal::quantile(), StudentT::quantile(), PorousFlowFluidStateFlash::rachfordRice(), PorousFlowFluidStateFlash::rachfordRiceDeriv(), RayTracingAngularQuadratureErrorTest::RayTracingAngularQuadratureErrorTest(), EBSDReader::readFile(), CrackMeshCut3DUserObject::refineBoundary(), CrackMeshCut3DUserObject::refineFront(), relativeEq(), SolidMechanicsPlasticTensileMulti::returnEdge(), SolidMechanicsPlasticMohrCoulombMulti::returnEdge000101(), SolidMechanicsPlasticMohrCoulombMulti::returnEdge010100(), SolidMechanicsPlasticMohrCoulombMulti::returnTip(), SolidMechanicsPlasticTensileMulti::returnTip(), CaloricallyImperfectGas::rho_from_p_s(), CO2FluidProperties::rho_from_p_T(), HelmholtzFluidProperties::rho_from_p_T(), BrineFluidProperties::rho_from_p_T_X(), BrineFluidProperties::rho_from_p_T_X(), Rosenbrock::rosen(), IdealGasMixtureFluidProperties::secondaryToAllMassFractions_templ(), OptimizationReporterBase::setInitialCondition(), CaloricallyImperfectGas::setupLookupTables(), LAROMANCEStressUpdateBaseTempl< is_ad >::sigmoid(), SolidMechanicsPlasticMohrCoulomb::smooth(), SolidMechanicsPlasticTensile::smooth(), SolidMechanicsPlasticWeakPlaneShear::smooth(), SubChannel1PhaseProblem::solveAndPopulateEnthalpy(), PorousFlowBrineCO2::solveEquilibriumMoleFractionHighTemp(), SquaredExponentialCovariance::SquaredExponentialFunction(), CaloricallyImperfectGas::T_from_e(), CaloricallyImperfectGas::T_from_h(), CaloricallyImperfectGas::T_from_v_e(), TEST(), TEST(), TEST(), TEST(), TEST(), TEST(), TEST(), TEST(), TEST(), TEST(), TEST(), TEST(), TEST(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), TEST_F(), triRodPositionsRef(), OptimizationReporterBase::updateParameters(), LevelSetOlssonBubble::value(), ADCubicTransition::value(), ADWeightedTransition::value(), RhoVaporMixtureFromPressureTemperatureIC::value(), CrossIC::value(), FCTFdisplacementIC::value(), CubicTransition::value(), WeightedTransition::value(), SolidMechanicsHardeningCubic::value(), SolidMechanicsHardeningCutExponential::value(), SolidMechanicsHardeningGaussian::value(), CosineHumpFunction::value(), CosineTransitionFunction::value(), CubicTransitionFunction::value(), LevelSetOlssonBubble::value(), LevelSetOlssonPlane::value(), ViewFactorRayStudy::ViewFactorRayStudy(), ADWeightedTransition::weight(), WeightedTransition::weight(), IdealRealGasMixtureFluidProperties::xs_prim_from_p_T(), SinglePhaseFluidProperties::xyDerivatives(), and CaloricallyImperfectGas::Z_from_T().

y

const std::vector<double> y

Initial value:

= {
    14.9398, 13.9951, 13.0272, 12.2551, 11.6308, 11.2836, 11.1675, 11.3002}

Definition at line 18 of file EquilibriumConstantFitTest.C.

                            {
    14.9398, 13.9951, 13.0272, 12.2551, 11.6308, 11.2836, 11.1675, 11.3002};

Referenced by PolycrystalVoronoi::buildSearchTree(), Weibull::cdf(), SelfShadowSideUserObject::check2DIllumination(), SelfShadowSideUserObject::check3DIllumination(), ClosePackIC::computeCircleCenters(), MorrisReporterContext< DataType >::computeElementaryEffects(), MorrisReporterContext< DataType >::computeElementaryEffects(), ADShaftConnectedPump1PhaseUserObject::computeFluxesAndResiduals(), ADComputeIncrementalShellStrain::computeGMatrix(), GBAnisotropyBase::computeQpProperties(), InclusionProperties::computeQpProperties(), FunctionPathEllipsoidHeatSource::computeQpProperties(), GaussContForcing::computeQpResidual(), HeatStructureCylindricalBase::computeRadialBoundaryArea(), ADInertialForceShell::computeShellInertialForces(), AdaptiveMonteCarloUtils::computeSTD(), ComputeBlockOrientationByRotation::computeSubdomainEulerAngles(), EFAPoint::cross(), PolygonMeshGeneratorBase::cutOffPolyDeform(), SCMQuadDuctMeshGenerator::ductCrossSec(), GaussianProcessSurrogate::evaluate(), GaussianProcessSurrogate::evaluate(), SurrogateModel::evaluate(), NearestPointSurrogate::evaluate(), PolynomialRegressionSurrogate::evaluate(), SurrogateModel::evaluate(), GaussianProcessSurrogate::evaluate(), GFunction::execute(), nDRosenbrock::execute(), MorrisReporterContext< DataType >::finalize(), FormInitialSolution(), FourierNoise::FourierNoise(), PolygonMeshGeneratorBase::fourPointIntercept(), PorousFlowBrineCO2::funcABHighTemp(), g_function(), GBAnisotropy::GBAnisotropy(), GBWidthAnisotropy::GBWidthAnisotropy(), RankTwoScalarTools::hoopStress(), SolutionRasterizer::initialSetup(), FluidPropertiesUtils::NewtonSolve(), PolygonMeshGeneratorBase::nodeCoordRotate(), Weibull::pdf(), FDistribution::pdf(), PeripheralTriangleMeshGenerator::PeripheralTriangleMeshGenerator(), Normal::quantile(), Uniform::quantile(), Uniform::quantile(), RayTracingAngularQuadratureErrorTest::RayTracingAngularQuadratureErrorTest(), EBSDReader::readFile(), relativeEq(), PorousFlowBrineCO2::solveEquilibriumMoleFractionHighTemp(), TEST(), TEST(), TEST(), TEST(), TEST_F(), TEST_F(), TEST_F(), GrainTextureVectorPostprocessor::threadJoin(), BlockOrientationVectorPostprocessor::threadJoin(), ElementOptimizationFunctionInnerProduct::threadJoin(), SideOptimizationFunctionInnerProduct::threadJoin(), ComputeExternalGrainForceAndTorque::threadJoin(), ComputeGrainCenterUserObject::threadJoin(), ComputeGrainForceAndTorque::threadJoin(), ConservedMaskedNoiseBase::threadJoin(), ConservedNoiseBase::threadJoin(), DiscreteNucleationInserter::threadJoin(), DiscreteNucleationMap::threadJoin(), ReflectionCoefficient::threadJoin(), HomogenizedThermalConductivity::threadJoin(), GrayLambertSurfaceRadiationBase::threadJoin(), SelfShadowSideUserObject::threadJoin(), LevelSetVolume::threadJoin(), CFLTimeStepSizeTempl< is_ad >::threadJoin(), MassFluxWeightedFlowRate::threadJoin(), PressureDrop::threadJoin(), HLLCUserObject::threadJoin(), ObtainAvgContactAngle::threadJoin(), WeightedVariableAverage::threadJoin(), AsymptoticExpansionHomogenizationElasticConstants::threadJoin(), CriticalTimeStep::threadJoin(), MaterialTensorAverageTempl< is_ad >::threadJoin(), MaterialTimeStepPostprocessor::threadJoin(), NormalBoundaryDisplacement::threadJoin(), TorqueReaction::threadJoin(), CrackFrontNonlocalMaterialBase::threadJoin(), InteractionIntegralTempl< is_ad >::threadJoin(), JIntegral::threadJoin(), ADSpecificImpulse1Phase::threadJoin(), EnergyFluxIntegral::threadJoin(), MassFluxIntegral::threadJoin(), MomentumFluxIntegral::threadJoin(), SpecificImpulse1Phase::threadJoin(), ADHeatTransferFromHeatStructure3D1PhaseUserObject::threadJoin(), FunctionElementLoopIntegralUserObject::threadJoin(), HeatFluxFromHeatStructureBaseUserObject::threadJoin(), LayeredFlowAreaChange::threadJoin(), NumericalFlux3EqnInternalValues::threadJoin(), GeometricCutUserObject::threadJoin(), MeshCut2DNucleationBase::threadJoin(), XFEMMaterialStateMarkerBase::threadJoin(), ViewFactorBase::threadJoin(), RayTracingViewFactor::threadJoinViewFactor(), UnobstructedPlanarViewFactor::threadJoinViewFactor(), triRodPositionsRef(), CrossIC::value(), FCTFdisplacementIC::value(), and SinglePhaseFluidProperties::xyDerivatives().