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EquilibriumConstantAux.h
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9 
10 #pragma once
11 
12 #include "AuxKernel.h"
13 #include "EquilibriumConstantFit.h"
14 #include "PolynomialFit.h"
15 
17 
18 template <>
19 InputParameters validParams<EquilibriumConstantAux>();
20 
41 class EquilibriumConstantAux : public AuxKernel
42 {
43 public:
44  EquilibriumConstantAux(const InputParameters & parameters);
45 
46 protected:
47  virtual Real computeValue() override;
48 
50  const VariableValue & _temperature;
52  const std::vector<Real> & _temperature_points;
54  const std::vector<Real> & _logk_points;
56  std::unique_ptr<EquilibriumConstantFit> _logk;
58  std::unique_ptr<PolynomialFit> _linear_logk;
59 };
60 
EquilibriumConstantAux::_linear_logk
std::unique_ptr< PolynomialFit > _linear_logk
Linear least-squares fit.
Definition: EquilibriumConstantAux.h:58
EquilibriumConstantAux::_temperature_points
const std::vector< Real > & _temperature_points
Temperature points in data set (in K)
Definition: EquilibriumConstantAux.h:52
EquilibriumConstantAux::_logk_points
const std::vector< Real > & _logk_points
log(Keq) values at each temperature point
Definition: EquilibriumConstantAux.h:54
EquilibriumConstantAux::_logk
std::unique_ptr< EquilibriumConstantFit > _logk
Least-squares fit to data.
Definition: EquilibriumConstantAux.h:56
EquilibriumConstantFit.h
EquilibriumConstantAux::_temperature
const VariableValue & _temperature
Temperature (in K)
Definition: EquilibriumConstantAux.h:50
EquilibriumConstantAux::computeValue
virtual Real computeValue() override
Definition: EquilibriumConstantAux.C:55
EquilibriumConstantAux::EquilibriumConstantAux
EquilibriumConstantAux(const InputParameters &parameters)
Definition: EquilibriumConstantAux.C:30
EquilibriumConstantAux
Equilibrium constant (in the form log10(Keq)) calculated using a least-squares fit to the data provid...
Definition: EquilibriumConstantAux.h:41
validParams< EquilibriumConstantAux >
InputParameters validParams< EquilibriumConstantAux >()
Definition: EquilibriumConstantAux.C:16