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9eb3eb8db1
* Run clang-format with claude code and fix VS warnings * More clang-format * And the tests too * Cleanup from clang-tidy * More constness and modernization * Cleanup and modernization
522 lines
22 KiB
C++
522 lines
22 KiB
C++
/*
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* DataStructures.h
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*
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* Created on: 21 Dec 2013
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* Author: jowr
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*/
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#ifndef DATASTRUCTURES_H_
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#define DATASTRUCTURES_H_
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#include "CPnumerics.h"
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#include "Exceptions.h"
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#include <map>
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namespace CoolProp {
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struct SimpleState
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{
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double rhomolar, T, p, hmolar, smolar, umolar, Q;
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SimpleState() {
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fill(_HUGE);
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}
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void fill(double v) {
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rhomolar = v;
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T = v;
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p = v;
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hmolar = v;
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smolar = v;
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umolar = v;
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Q = v;
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}
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bool is_valid() {
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return ValidNumber(rhomolar) && ValidNumber(T) && ValidNumber(hmolar) && ValidNumber(p);
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}
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};
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struct CriticalState : SimpleState
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{
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bool stable;
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CriticalState() : stable(false) {
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fill(_HUGE);
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}
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};
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/// A modified class for the state point at the maximum saturation entropy on the vapor curve
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struct SsatSimpleState : public SimpleState
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{
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enum SsatSimpleStateEnum
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{
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SSAT_MAX_NOT_SET = 0,
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SSAT_MAX_DOESNT_EXIST,
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SSAT_MAX_DOES_EXIST
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};
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SsatSimpleStateEnum exists;
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SsatSimpleState() : exists(SSAT_MAX_NOT_SET) {}
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};
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/// --------------------------------------------------
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/// Define some constants that will be used throughout
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/// --------------------------------------------------
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/// These are constants for the input and output parameters
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/// The structure is taken directly from the AbstractState class.
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//
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// !! If you add a parameter, update the map in the corresponding CPP file !!
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enum parameters
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{
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INVALID_PARAMETER = 0,
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// General parameters
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igas_constant, ///< Ideal-gas constant
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imolar_mass, ///< Molar mass
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iacentric_factor, ///< Acentric factor
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irhomolar_reducing, ///< Molar density used for the reducing state
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irhomolar_critical, ///< Molar density used for the critical point
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iT_reducing, ///< Temperature at the reducing state
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iT_critical, ///< Temperature at the critical point
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irhomass_reducing, ///< Mass density at the reducing state
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irhomass_critical, ///< Mass density at the critical point
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iP_critical, ///< Pressure at the critical point
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iP_reducing, ///< Pressure at the reducing point
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iT_triple, ///< Triple point temperature
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iP_triple, ///< Triple point pressure
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iT_min, ///< Minimum temperature
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iT_max, ///< Maximum temperature
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iP_max, ///< Maximum pressure
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iP_min, ///< Minimum pressure
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idipole_moment, ///< Dipole moment
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// Bulk properties
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iT, ///< Temperature
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iP, ///< Pressure
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iQ, ///< Vapor quality
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iTau, ///< Reciprocal reduced temperature
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iDelta, ///< Reduced density
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// Molar specific thermodynamic properties
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iDmolar, ///< Mole-based density
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iHmolar, ///< Mole-based enthalpy
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iSmolar, ///< Mole-based entropy
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iCpmolar, ///< Mole-based constant-pressure specific heat
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iCp0molar, ///< Mole-based ideal-gas constant-pressure specific heat
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iCvmolar, ///< Mole-based constant-volume specific heat
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iUmolar, ///< Mole-based internal energy
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iGmolar, ///< Mole-based Gibbs energy
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iHelmholtzmolar, ///< Mole-based Helmholtz energy
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iHmolar_residual, ///< The residual molar enthalpy
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iSmolar_residual, ///< The residual molar entropy (as a function of temperature and density)
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iGmolar_residual, ///< The residual molar Gibbs energy
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iHmolar_idealgas, ///< The ideal gas molar enthalpy
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iSmolar_idealgas, ///< The ideal gas molar entropy
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iUmolar_idealgas, ///< The ideal gas molar internal energy
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// Mass specific thermodynamic properties
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iDmass, ///< Mass-based density
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iHmass, ///< Mass-based enthalpy
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iSmass, ///< Mass-based entropy
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iCpmass, ///< Mass-based constant-pressure specific heat
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iCp0mass, ///< Mass-based ideal-gas specific heat
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iCvmass, ///< Mass-based constant-volume specific heat
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iUmass, ///< Mass-based internal energy
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iGmass, ///< Mass-based Gibbs energy
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iHelmholtzmass, ///< Mass-based Helmholtz energy
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iHmass_idealgas, ///< The ideal gas specific enthalpy
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iSmass_idealgas, ///< The ideal gas specific entropy
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iUmass_idealgas, ///< The ideal gas specific internal energy
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// Transport properties
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iviscosity, ///< Viscosity
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iconductivity, ///< Thermal conductivity
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isurface_tension, ///< Surface tension
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iPrandtl, ///< The Prandtl number
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// Derivative-based terms
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ispeed_sound, ///< Speed of sound
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iisothermal_compressibility, ///< Isothermal compressibility
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iisobaric_expansion_coefficient, ///< Isobaric expansion coefficient
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iisentropic_expansion_coefficient, ///< Isentropic expansion coefficient
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// Fundamental derivative of gas dynamics
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ifundamental_derivative_of_gas_dynamics, ///< The fundamental derivative of gas dynamics
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// Derivatives of the residual non-dimensionalized Helmholtz energy with respect to the EOS variables
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ialphar,
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idalphar_dtau_constdelta,
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idalphar_ddelta_consttau,
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// Derivatives of the ideal-gas non-dimensionalized Helmholtz energy with respect to the EOS variables
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ialpha0,
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idalpha0_dtau_constdelta,
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idalpha0_ddelta_consttau,
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id2alpha0_ddelta2_consttau,
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id3alpha0_ddelta3_consttau,
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// Other functions and derivatives
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iBvirial, ///< Second virial coefficient
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iCvirial, ///< Third virial coefficient
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idBvirial_dT, ///< Derivative of second virial coefficient with temperature
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idCvirial_dT, ///< Derivative of third virial coefficient with temperature
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iZ, ///< The compressibility factor Z = p*v/(R*T)
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iPIP, ///< The phase identification parameter of Venkatarathnam and Oellrich
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// Accessors for incompressibles
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ifraction_min, ///< The minimum fraction (mole, mass, volume) for incompressibles
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ifraction_max, ///< The maximum fraction (mole,mass,volume) for incompressibles
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iT_freeze, ///< The freezing temperature for incompressibles
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// Environmental parameters
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iGWP20, ///< The 20-year global warming potential
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iGWP100, ///< The 100-year global warming potential
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iGWP500, ///< The 500-year global warming potential
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iFH, ///< Fire hazard index
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iHH, ///< Health hazard index
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iPH, ///< Physical hazard index
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iODP, ///< Ozone depletion potential (R-11 = 1.0)
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iPhase, ///< The phase index of the given state
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iundefined_parameter ///< The last parameter, so we can check that all parameters are described in DataStructures.cpp
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};
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// !! If you add a parameter, update the map in the corresponding CPP file !!
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// !! Also update phase_lookup_string() in CoolProp.cpp !!
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/// These are constants for the phases of the fluid
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enum phases
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{
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iphase_liquid, ///< Subcritical liquid
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iphase_supercritical, ///< Supercritical (p > pc, T > Tc)
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iphase_supercritical_gas, ///< Supercritical gas (p < pc, T > Tc)
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iphase_supercritical_liquid, ///< Supercritical liquid (p > pc, T < Tc)
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iphase_critical_point, ///< At the critical point
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iphase_gas, ///< Subcritical gas
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iphase_twophase, ///< Twophase
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iphase_unknown, ///< Unknown phase
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iphase_not_imposed
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}; ///< Phase is not imposed
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/// Constants for the different PC-SAFT association schemes (see Huang and Radosz 1990)
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enum schemes
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{
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i1,
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i2a,
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i2b,
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i3a,
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i3b,
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i4a,
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i4b,
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i4c
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};
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/// Return information about the parameter
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/// @param key The key, one of iT, iP, etc.
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/// @param info The thing you want, one of "IO" ("IO" if input/output, "O" if output only), "short" (very short description), "long" (a longer description), "units"
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std::string get_parameter_information(int key, const std::string& info);
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/// Return the enum key corresponding to the parameter name ("Dmolar" for instance)
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parameters get_parameter_index(const std::string& param_name);
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/// Return true if passed phase name is valid, otherwise false
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/// @param phase_name The phase name string to be checked ("phase_liquid" for instance)
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/// @param iOutput Gets updated with the phases enum value if phase_name is found
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bool is_valid_phase(const std::string& phase_name, phases& iOutput);
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/// Return the enum key corresponding to the phase name ("phase_liquid" for instance)
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phases get_phase_index(const std::string& param_name);
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/// Return true if passed PC-SAFT association scheme name is valid, otherwise false
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/// @param scheme_name The association scheme string to be checked ("2B" for instance)
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/// @param iOutput Gets updated with the schemes enum value if scheme_name is found
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bool is_valid_scheme(const std::string& scheme_name, schemes& iOutput);
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/// Return the enum key corresponding to the association scheme name ("2B" for instance)
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schemes get_scheme_index(const std::string& scheme_name);
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/// Returns true if the input is trivial (constants, critical parameters, etc.)
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bool is_trivial_parameter(int key);
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/// Returns true if a valid parameter, and sets value in the variable iOutput
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bool is_valid_parameter(const std::string& name, parameters& iOutput);
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/// Returns true if the string corresponds to a valid first derivative
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///
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/// If it is a value derivative, the variables are set to the parts of the derivative
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bool is_valid_first_derivative(const std::string& name, parameters& iOf, parameters& iWrt, parameters& iConstant);
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/// Returns true if the string corresponds to a valid first saturation derivative - e.g. "d(P)/d(T)|sigma" for instance
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///
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/// If it is a valid derivative, the variables are set to the parts of the derivative
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bool is_valid_first_saturation_derivative(const std::string& name, parameters& iOf, parameters& iWrt);
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/// Returns true if the string corresponds to a valid second derivative
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///
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/// If it is a value derivative, the variables are set to the parts of the derivative
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bool is_valid_second_derivative(const std::string& name, parameters& iOf1, parameters& iWrt1, parameters& iConstant1, parameters& iWrt2,
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parameters& iConstant2);
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/// Get a comma separated list of parameters
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std::string get_csv_parameter_list();
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/// These are constants for the compositions
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enum composition_types
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{
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IFRAC_MASS,
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IFRAC_MOLE,
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IFRAC_VOLUME,
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IFRAC_UNDEFINED,
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IFRAC_PURE
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};
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/// These are unit types for the fluid
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enum fluid_types
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{
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FLUID_TYPE_PURE,
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FLUID_TYPE_PSEUDOPURE,
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FLUID_TYPE_REFPROP,
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FLUID_TYPE_INCOMPRESSIBLE_LIQUID,
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FLUID_TYPE_INCOMPRESSIBLE_SOLUTION,
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FLUID_TYPE_UNDEFINED
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};
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// !! If you add a parameter, update the map in the corresponding CPP file !!
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/// These are input pairs that can be used for the update function (in each pair, input keys are sorted alphabetically)
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enum input_pairs
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{
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INPUT_PAIR_INVALID = 0, // Default (invalid) value
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QT_INPUTS, ///< Molar quality, Temperature in K
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PQ_INPUTS, ///< Pressure in Pa, Molar quality
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QSmolar_INPUTS, ///< Molar quality, Entropy in J/mol/K
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QSmass_INPUTS, ///< Molar quality, Entropy in J/kg/K
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HmolarQ_INPUTS, ///< Enthalpy in J/mol, Molar quality
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HmassQ_INPUTS, ///< Enthalpy in J/kg, Molar quality
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DmolarQ_INPUTS, ///< Density in mol/m^3, Molar quality
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DmassQ_INPUTS, ///< Density in kg/m^3, Molar quality
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PT_INPUTS, ///< Pressure in Pa, Temperature in K
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DmassT_INPUTS, ///< Mass density in kg/m^3, Temperature in K
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DmolarT_INPUTS, ///< Molar density in mol/m^3, Temperature in K
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HmolarT_INPUTS, ///< Enthalpy in J/mol, Temperature in K
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HmassT_INPUTS, ///< Enthalpy in J/kg, Temperature in K
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SmolarT_INPUTS, ///< Entropy in J/mol/K, Temperature in K
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SmassT_INPUTS, ///< Entropy in J/kg/K, Temperature in K
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TUmolar_INPUTS, ///< Temperature in K, Internal energy in J/mol
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TUmass_INPUTS, ///< Temperature in K, Internal energy in J/kg
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DmassP_INPUTS, ///< Mass density in kg/m^3, Pressure in Pa
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DmolarP_INPUTS, ///< Molar density in mol/m^3, Pressure in Pa
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HmassP_INPUTS, ///< Enthalpy in J/kg, Pressure in Pa
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HmolarP_INPUTS, ///< Enthalpy in J/mol, Pressure in Pa
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PSmass_INPUTS, ///< Pressure in Pa, Entropy in J/kg/K
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PSmolar_INPUTS, ///< Pressure in Pa, Entropy in J/mol/K
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PUmass_INPUTS, ///< Pressure in Pa, Internal energy in J/kg
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PUmolar_INPUTS, ///< Pressure in Pa, Internal energy in J/mol
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HmassSmass_INPUTS, ///< Enthalpy in J/kg, Entropy in J/kg/K
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HmolarSmolar_INPUTS, ///< Enthalpy in J/mol, Entropy in J/mol/K
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SmassUmass_INPUTS, ///< Entropy in J/kg/K, Internal energy in J/kg
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SmolarUmolar_INPUTS, ///< Entropy in J/mol/K, Internal energy in J/mol
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DmassHmass_INPUTS, ///< Mass density in kg/m^3, Enthalpy in J/kg
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DmolarHmolar_INPUTS, ///< Molar density in mol/m^3, Enthalpy in J/mol
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DmassSmass_INPUTS, ///< Mass density in kg/m^3, Entropy in J/kg/K
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DmolarSmolar_INPUTS, ///< Molar density in mol/m^3, Entropy in J/mol/K
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DmassUmass_INPUTS, ///< Mass density in kg/m^3, Internal energy in J/kg
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DmolarUmolar_INPUTS, ///< Molar density in mol/m^3, Internal energy in J/mol
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};
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// !! If you add or remove a parameter, update the map in the corresponding CPP file !!
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inline bool match_pair(parameters key1, parameters key2, parameters x1, parameters x2, bool& swap) {
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swap = !(key1 == x1);
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return ((key1 == x1 && key2 == x2) || (key2 == x1 && key1 == x2));
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};
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/**
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* @brief Generate an update pair from key, value pairs
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*
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* If the input pair is valid, v1 and v2 will correspond to the returned output pair
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*
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* @param key1 The first input key
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* @param value1 The first input value
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* @param key2 The second input key
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* @param value2 The second input value
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* @param out1 The first output value
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* @param out2 The second output value
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* @return pair, or INPUT_PAIR_INVALID if not valid
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*/
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template <class T>
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CoolProp::input_pairs generate_update_pair(parameters key1, T value1, parameters key2, T value2, T& out1, T& out2) throw() {
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CoolProp::input_pairs pair;
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bool swap;
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if (match_pair(key1, key2, iQ, iT, swap)) {
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pair = QT_INPUTS; ///< Molar quality, Temperature in K
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} else if (match_pair(key1, key2, iP, iQ, swap)) {
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pair = PQ_INPUTS; ///< Pressure in Pa, Molar quality
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} else if (match_pair(key1, key2, iP, iT, swap)) {
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pair = PT_INPUTS; ///< Pressure in Pa, Temperature in K
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} else if (match_pair(key1, key2, iDmolar, iT, swap)) {
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pair = DmolarT_INPUTS; // Molar density in mol/m^3, Temperature in K
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} else if (match_pair(key1, key2, iDmass, iT, swap)) {
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pair = DmassT_INPUTS; // Mass density in kg/m^3, Temperature in K
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} else if (match_pair(key1, key2, iHmolar, iT, swap)) {
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pair = HmolarT_INPUTS; // Enthalpy in J/mol, Temperature in K
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} else if (match_pair(key1, key2, iHmass, iT, swap)) {
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pair = HmassT_INPUTS; // Enthalpy in J/kg, Temperature in K
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} else if (match_pair(key1, key2, iSmolar, iT, swap)) {
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pair = SmolarT_INPUTS; // Entropy in J/mol/K, Temperature in K
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} else if (match_pair(key1, key2, iSmass, iT, swap)) {
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pair = SmassT_INPUTS; // Entropy in J/kg/K, Temperature in K
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} else if (match_pair(key1, key2, iT, iUmolar, swap)) {
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pair = TUmolar_INPUTS; // Temperature in K, Internal energy in J/mol
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} else if (match_pair(key1, key2, iT, iUmass, swap)) {
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pair = TUmass_INPUTS; // Temperature in K, Internal energy in J/kg
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} else if (match_pair(key1, key2, iDmass, iHmass, swap)) {
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pair = DmassHmass_INPUTS; // Mass density in kg/m^3, Enthalpy in J/kg
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} else if (match_pair(key1, key2, iDmolar, iHmolar, swap)) {
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pair = DmolarHmolar_INPUTS; // Molar density in mol/m^3, Enthalpy in J/mol
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} else if (match_pair(key1, key2, iDmass, iSmass, swap)) {
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pair = DmassSmass_INPUTS; // Mass density in kg/m^3, Entropy in J/kg/K
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} else if (match_pair(key1, key2, iDmolar, iSmolar, swap)) {
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pair = DmolarSmolar_INPUTS; // Molar density in mol/m^3, Entropy in J/mol/K
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} else if (match_pair(key1, key2, iDmass, iUmass, swap)) {
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pair = DmassUmass_INPUTS; // Mass density in kg/m^3, Internal energy in J/kg
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} else if (match_pair(key1, key2, iDmolar, iUmolar, swap)) {
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pair = DmolarUmolar_INPUTS; // Molar density in mol/m^3, Internal energy in J/mol
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} else if (match_pair(key1, key2, iDmass, iP, swap)) {
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pair = DmassP_INPUTS; // Mass density in kg/m^3, Pressure in Pa
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} else if (match_pair(key1, key2, iDmolar, iP, swap)) {
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pair = DmolarP_INPUTS; // Molar density in mol/m^3, Pressure in Pa
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} else if (match_pair(key1, key2, iDmass, iQ, swap)) {
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pair = DmassQ_INPUTS; // Mass density in kg/m^3, molar vapor quality
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} else if (match_pair(key1, key2, iDmolar, iQ, swap)) {
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pair = DmolarQ_INPUTS; // Molar density in mol/m^3, molar vapor quality
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} else if (match_pair(key1, key2, iHmass, iP, swap)) {
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pair = HmassP_INPUTS; // Enthalpy in J/kg, Pressure in Pa
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} else if (match_pair(key1, key2, iHmolar, iP, swap)) {
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pair = HmolarP_INPUTS; // Enthalpy in J/mol, Pressure in Pa
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} else if (match_pair(key1, key2, iP, iSmass, swap)) {
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pair = PSmass_INPUTS; // Pressure in Pa, Entropy in J/kg/K
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} else if (match_pair(key1, key2, iP, iSmolar, swap)) {
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pair = PSmolar_INPUTS; // Pressure in Pa, Entropy in J/mol/K
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} else if (match_pair(key1, key2, iP, iUmass, swap)) {
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pair = PUmass_INPUTS; // Pressure in Pa, Internal energy in J/kg
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} else if (match_pair(key1, key2, iP, iUmolar, swap)) {
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pair = PUmolar_INPUTS; // Pressure in Pa, Internal energy in J/mol
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} else if (match_pair(key1, key2, iHmass, iSmass, swap)) {
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pair = HmassSmass_INPUTS; // Enthalpy in J/kg, Entropy in J/kg/K
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} else if (match_pair(key1, key2, iHmolar, iSmolar, swap)) {
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pair = HmolarSmolar_INPUTS; // Enthalpy in J/mol, Entropy in J/mol/K
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} else if (match_pair(key1, key2, iSmass, iUmass, swap)) {
|
|
pair = SmassUmass_INPUTS; ///< Entropy in J/kg/K, Internal energy in J/kg
|
|
} else if (match_pair(key1, key2, iSmolar, iUmolar, swap)) {
|
|
pair = SmolarUmolar_INPUTS; ///< Entropy in J/mol/K, Internal energy in J/mol
|
|
} else {
|
|
pair = INPUT_PAIR_INVALID;
|
|
return pair;
|
|
}
|
|
|
|
if (!swap) {
|
|
out1 = value1;
|
|
out2 = value2;
|
|
} else {
|
|
out1 = value2;
|
|
out2 = value1;
|
|
}
|
|
return pair;
|
|
};
|
|
|
|
/// Get the input pair index associated with its string representation
|
|
input_pairs get_input_pair_index(const std::string& input_pair_name);
|
|
|
|
/// Return the short description of an input pair key ("DmolarT_INPUTS" for instance)
|
|
const std::string& get_input_pair_short_desc(input_pairs pair);
|
|
|
|
/// Return the long description of an input pair key ("Molar density in mol/m^3, Temperature in K" for instance)
|
|
const std::string& get_input_pair_long_desc(input_pairs pair);
|
|
|
|
/// Split an input pair into parameters for the two parts that form the pair
|
|
void split_input_pair(input_pairs pair, parameters& p1, parameters& p2);
|
|
|
|
extern void apply_simple_mixing_rule(const std::string& identifier1, const std::string& identifier2, const std::string& rule);
|
|
extern void set_interaction_parameters(const std::string& string_data);
|
|
|
|
extern std::string get_mixture_binary_pair_data(const std::string& CAS1, const std::string& CAS2, const std::string& param);
|
|
extern void set_mixture_binary_pair_data(const std::string& CAS1, const std::string& CAS2, const std::string& param, const double val);
|
|
extern std::string get_mixture_binary_pair_pcsaft(const std::string& CAS1, const std::string& CAS2, const std::string& param);
|
|
extern void set_mixture_binary_pair_pcsaft(const std::string& CAS1, const std::string& CAS2, const std::string& param, const double val);
|
|
|
|
/// The structure is taken directly from the AbstractState class.
|
|
// !! If you add a parameter, update the map in the corresponding CPP file !!
|
|
enum backend_families
|
|
{
|
|
INVALID_BACKEND_FAMILY = 0,
|
|
HEOS_BACKEND_FAMILY,
|
|
REFPROP_BACKEND_FAMILY,
|
|
INCOMP_BACKEND_FAMILY,
|
|
IF97_BACKEND_FAMILY,
|
|
TREND_BACKEND_FAMILY,
|
|
TTSE_BACKEND_FAMILY,
|
|
BICUBIC_BACKEND_FAMILY,
|
|
SRK_BACKEND_FAMILY,
|
|
PR_BACKEND_FAMILY,
|
|
VTPR_BACKEND_FAMILY,
|
|
PCSAFT_BACKEND_FAMILY
|
|
};
|
|
enum backends
|
|
{
|
|
INVALID_BACKEND = 0,
|
|
HEOS_BACKEND_PURE,
|
|
HEOS_BACKEND_MIX,
|
|
REFPROP_BACKEND_PURE,
|
|
REFPROP_BACKEND_MIX,
|
|
INCOMP_BACKEND,
|
|
IF97_BACKEND,
|
|
TREND_BACKEND,
|
|
TTSE_BACKEND,
|
|
BICUBIC_BACKEND,
|
|
SRK_BACKEND,
|
|
PR_BACKEND,
|
|
VTPR_BACKEND,
|
|
PCSAFT_BACKEND
|
|
};
|
|
|
|
/// Convert a string into the enum values
|
|
void extract_backend_families(std::string backend_string, backend_families& f1, backend_families& f2);
|
|
void extract_backend_families_string(std::string backend_string, backend_families& f1, std::string& f2);
|
|
std::string get_backend_string(backends backend);
|
|
|
|
#if !defined(NO_FMTLIB) && FMT_VERSION >= 90000
|
|
/// Allows enums to be formatted
|
|
inline int format_as(parameters parameter) {
|
|
return fmt::underlying(parameter);
|
|
}
|
|
|
|
inline int format_as(phases phase) {
|
|
return fmt::underlying(phase);
|
|
}
|
|
|
|
inline int format_as(schemes scheme) {
|
|
return fmt::underlying(scheme);
|
|
}
|
|
|
|
inline int format_as(composition_types type) {
|
|
return fmt::underlying(type);
|
|
}
|
|
|
|
inline int format_as(fluid_types type) {
|
|
return fmt::underlying(type);
|
|
}
|
|
|
|
inline int format_as(input_pairs pair) {
|
|
return fmt::underlying(pair);
|
|
}
|
|
|
|
inline int format_as(backend_families family) {
|
|
return fmt::underlying(family);
|
|
}
|
|
|
|
inline int format_as(backends backend) {
|
|
return fmt::underlying(backend);
|
|
}
|
|
#endif
|
|
|
|
} /* namespace CoolProp */
|
|
#endif /* DATASTRUCTURES_H_ */
|