A C D E F G H I K L N P Q R S T W

S

scale(double) - Method in class edu.davidson.chm.equilibria.Gas
 
scale(double) - Method in class edu.davidson.chm.equilibria.Phase
Scales the amount of the phase.
scale(double) - Method in class edu.davidson.chm.equilibria.Solution
 
setAnalConc(String, String, double) - Method in class chemEquilibria.ChemEquilibria
Sets the analytical concentration (mole/L) of the ChemSpecies
setAnalConc(double) - Method in class edu.davidson.chm.equilibria.Species
Sets the analytical concentration (moles/L).
setAnalMass(String, String, double) - Method in class chemEquilibria.ChemEquilibria
Sets the analytical mass (in grams) of the ChemSpecies in the Phase.
setAnalMass(double) - Method in class edu.davidson.chm.equilibria.Species
Sets the analytical mass of the species
setAnalMoles(String, String, double) - Method in class chemEquilibria.ChemEquilibria
Sets the analytical moles of the ChemSpecies in the Phase.
setAnalMoles(double) - Method in class edu.davidson.chm.equilibria.Species
Sets the analytical number of moles.
setAnalPressure(String, String, double) - Method in class chemEquilibria.ChemEquilibria
Sets the analytical partial pressure of the ChemSpecies in the Phase.
setAnalPressure(double) - Method in class edu.davidson.chm.equilibria.Species
Sets the analytical partial pressure in atmospheres.
setAutoChargeBalance(String, boolean) - Method in class chemEquilibria.ChemEquilibria
Sets the autoChargeBalance property for the indicated phase.
setAutoChargeBalance(boolean) - Method in class edu.davidson.chm.equilibria.Phase
Sets the autoChargeBalance property.
setCharge(double) - Method in class edu.davidson.chm.equilibria.ChemSpecies
Sets the charge of the ChemicalSpecies.
setChemicalSystem(ChemSystem) - Method in class edu.davidson.chm.equilibria.Equilibria
Sets the chemical system
setChiSqTolerance(double) - Method in class edu.davidson.chm.equilibria.Titration
Sets the relative tolerance for chi-square.
setData(double[], double[]) - Method in class edu.davidson.chm.equilibria.Titration
Sets the experimental data to be fit.
setData(double[], double[], double[]) - Method in class edu.davidson.chm.equilibria.Titration
Sets the experimental data to be fit.
setDensity(String, double) - Method in class chemEquilibria.ChemEquilibria
Sets the density (in grams/mL) of the Phase.
setDensity(double) - Method in class edu.davidson.chm.equilibria.Gas
This method performs no action, because the density of a gas is dictated by the volume of the gas and the mass of the species in the gas.
setDensity(double) - Method in class edu.davidson.chm.equilibria.Liquid
Sets the density of the liquid.
setDensity(double) - Method in class edu.davidson.chm.equilibria.Phase
Sets the density of the phase.
setDensity(double) - Method in class edu.davidson.chm.equilibria.Solid
Sets the density of the solid.
setDensity(double) - Method in class edu.davidson.chm.equilibria.Solution
Sets the density of the solution.
setDielectricConstant(double) - Method in class edu.davidson.chm.equilibria.Phase
Sets the dielectric constant for the phase (solvent in a solution)
setDisplayFitIterations(boolean) - Method in class chemEquilibria.ChemEquilibria
If true, the results of each iteration in the fit method are displayed on the Java console.
setDisplayFitResults(boolean) - Method in class chemEquilibria.ChemEquilibria
If true, the final results of the fit method are displayed on the Java console.
setDisplayIterations(boolean) - Method in class chemEquilibria.ChemEquilibria
If true, the results of each iteration in the solve method are displayed on the Java console.
setDisplayIterations(boolean) - Method in class edu.davidson.chm.equilibria.Equilibria
If true, the results of each iteration in the solve() method are displayed.
setDisplayIterations(boolean) - Method in class edu.davidson.chm.equilibria.Titration
If true, the iteration results at each step of the curve-fitting procedure are displayed.
setDisplayLinearSystem(boolean) - Method in class chemEquilibria.ChemEquilibria
If true, the linear system of equations are displayed on the Java console at each iteration of the solve method.
setDisplayLinearSystem(boolean) - Method in class edu.davidson.chm.equilibria.Equilibria
If true, the linear system of equations are displayed at each iteration of the solve method.
setDisplayResults(boolean) - Method in class chemEquilibria.ChemEquilibria
If true, the final results of the solve method are displayed on the Java console.
setDisplayResults(boolean) - Method in class edu.davidson.chm.equilibria.Equilibria
If true, the final results of the solve method are displayed.
setDisplayResults(boolean) - Method in class edu.davidson.chm.equilibria.Titration
If true, the final results of the curve-fitting procedure are displayed.
setDisplayTime(boolean) - Method in class chemEquilibria.ChemEquilibria
If true, the time (in seconds) required to solve the equilibrium problem is displayed on the Java console (but only if the calculation was successful).
setDisplayTime(boolean) - Method in class edu.davidson.chm.equilibria.Equilibria
If true, the time in seconds required to solve an equilibrium problem via the solveProblem method is displayed on the Java console.
setEquationTolerance(double) - Method in class chemEquilibria.ChemEquilibria
Sets the convergence tolerance for functions used in the solve method.
setEquationTolerance(double) - Method in class edu.davidson.chm.equilibria.Equilibria
Sets the convergence tolerance for functions.
setEquilibriaTolerance(double) - Method in class edu.davidson.chm.equilibria.Titration
Sets the relative tolerance for equilibrium calculations.
setFitChiSqTolerance(double) - Method in class chemEquilibria.ChemEquilibria
Sets the relative tolerance for the minimization of chi-square in the curve-fitting procedure.
setFitTolerance(double) - Method in class chemEquilibria.ChemEquilibria
Sets the relative tolerance for parameters (ln K or ln n) in the curve-fitting procedure.
setFW(double) - Method in class edu.davidson.chm.equilibria.ChemSpecies
Sets the formula weight of the ChemicalSpecies.
setFW(double) - Method in class edu.davidson.chm.equilibria.Species
Sets the formula weight of the species by calling the setFW method of the ChemSpecies.
setIonSize(String, double) - Method in class chemEquilibria.ChemEquilibria
Sets the ion-size parameter (used in the Extended Debye-Huckel Equation) for the chemical species.
setIonSize(double) - Method in class edu.davidson.chm.equilibria.ChemSpecies
Sets the Debye-Huckel ion-size parameter in angstroms.
setIonSize(double) - Method in class edu.davidson.chm.equilibria.Species
Sets the Debye-Huckel ion size parameter in angstroms by calling the setIonSize method of the ChemSpecies.
setIsAuto(boolean) - Method in class edu.davidson.chm.equilibria.Reaction
Sets the isAuto property to identify autodissociation reactions
setIsIdeal(boolean) - Method in class chemEquilibria.ChemEquilibria
Sets the isIdeal property.
setIsIdeal(boolean) - Method in class edu.davidson.chm.equilibria.ChemSystem
Sets the isIdeal property.
setIsIsobaric(boolean) - Method in class chemEquilibria.ChemEquilibria
Sets the isIsobaric property.
setIsIsobaric(boolean) - Method in class edu.davidson.chm.equilibria.ChemSystem
Sets the isIsobaric property.
setK(String, double) - Method in class chemEquilibria.ChemEquilibria
Sets the equilibrium constant for the reaction identified by the label.
setK(double) - Method in class edu.davidson.chm.equilibria.Reaction
Sets the thermodynamic equilibrium constant at the reference temperature
setLabel(String) - Method in class edu.davidson.chm.equilibria.ChemSpecies
Sets the descriptive label of the ChemicalSpecies.
setLabel(String) - Method in class edu.davidson.chm.equilibria.ChemSystem
Sets the label
setLabel(String) - Method in class edu.davidson.chm.equilibria.Phase
Sets the label for a phase
setLabel(String) - Method in class edu.davidson.chm.equilibria.Reaction
Sets the descriptive label for the reaction
setLabel(String) - Method in class edu.davidson.chm.equilibria.Species
Sets the label for the species by calling the setLabel method of the ChemSpecies.
setLambda(double) - Method in class chemEquilibria.ChemEquilibria
Sets the initial value of lambda, which controls the transition from the steepest-descent to Hessian methods in the Levenberg-Marquardt algorithm.
setLambda(double) - Method in class edu.davidson.chm.equilibria.Titration
Sets the initial value of lambda, the parameter that controls the transition from steepest-descent to Hessian method in the Levenberg-Marquardt algorithm.
setLambdaScaleFactor(double) - Method in class chemEquilibria.ChemEquilibria
Sets the lambda scaling factor.
setLambdaScaleFactor(double) - Method in class edu.davidson.chm.equilibria.Titration
Sets the lambda scaling factor.
setMass(double) - Method in class edu.davidson.chm.equilibria.Gas
This method performs no action, because the mass of a gas is dictated by the masses of each species in the gas and cannot be set globally.
setMass(double) - Method in class edu.davidson.chm.equilibria.Liquid
Sets the mass of the liquid.
setMass(double) - Method in class edu.davidson.chm.equilibria.Phase
Sets the mass for the phase.
setMass(double) - Method in class edu.davidson.chm.equilibria.Solid
Sets the mass of the solid.
setMass(double) - Method in class edu.davidson.chm.equilibria.Solution
Sets the mass of the solvent.
setMaxCnt(int) - Method in class chemEquilibria.ChemEquilibria
Sets the maximum number of iterations to be used in solving the nonlinear system of equations in the solve method.
setMaxCnt(int) - Method in class edu.davidson.chm.equilibria.Equilibria
Sets the maximum number of iterations to be used in solving the nonlinear system of equations.
setMaxInc(double) - Method in class chemEquilibria.ChemEquilibria
Sets the maximum amount a variable can change during a single iteration in the solve method.
setMaxInc(double) - Method in class edu.davidson.chm.equilibria.Equilibria
Sets the maximum amount a variable can change during a single iteration.
setMaxIncrement(double) - Method in class edu.davidson.chm.equilibria.Titration
Sets the maximum amount by which a parameter (ln K or ln n) may change during an iteration of the Levenberg-Marquardt algorithm.
setMinMaxIncrement(double, double) - Method in class edu.davidson.chm.equilibria.Titration
Sets the minimum and maximum volume increment for a titration calculation
setMonitor(String) - Method in class chemEquilibria.ChemEquilibria
Sets the species whose pX value is monitored during a titration
setMonitor(String, String) - Method in class chemEquilibria.ChemEquilibria
Sets the electrodes whose potential is monitored during a titration.
setMonitor(String) - Method in class edu.davidson.chm.equilibria.Titration
Sets the titration to monitor pX where X is the chemical species identified by the label _chemSpecies
setMonitor(String, String) - Method in class edu.davidson.chm.equilibria.Titration
Sets the titration to monitor a half-cell or cell potential where _label identifies the phase whose potential is to be monitored.
setPressure(double) - Method in class chemEquilibria.ChemEquilibria
Sets the pressure (in atm) of the system.
setPressure(double) - Method in class edu.davidson.chm.equilibria.ChemSystem
Sets the system pressure.
setRedundantTolerance(double) - Method in class edu.davidson.chm.equilibria.Equilibria
Sets the tolerance for aborting analysis when redundant chemical equations are encountered.
setReferenceTemperature(double) - Method in class chemEquilibria.ChemEquilibria
Sets the reference potential for all reactions and half-reaction.
setReferenceTemperature(String, double) - Method in class chemEquilibria.ChemEquilibria
Sets the reference potential for a reaction or half-reaction.
setReferenceTemperature(double) - Method in class edu.davidson.chm.equilibria.ChemSystem
Sets the reference temperature for all reactions and half-reactions in the chemical system
setReferenceTemperature(double) - Method in class edu.davidson.chm.equilibria.HalfReaction
Sets the reference temperature (in Kelvin)
setReferenceTemperature(double) - Method in class edu.davidson.chm.equilibria.Reaction
Sets the reference temperature, which is used to calculate the equilibrium constant at temperatures other than the reference temperature.
setStandardDeviation(double) - Method in class chemEquilibria.ChemEquilibria
Sets the standard deviation for pX values for the curve-fitting procedure.
setStandardDeviation(double) - Method in class edu.davidson.chm.equilibria.Titration
Sets the standard deviation to be used for all pX or E values if the individual standard deviations are not defined.
setStandardPotential(double) - Method in class edu.davidson.chm.equilibria.HalfReaction
Sets the standard potential at the reference temperature
setSVDThreshold(double) - Method in class chemEquilibria.ChemEquilibria
Sets the threshold value in the solve method for setting the diagonal elements from svd to zero.
setSVDThreshold(double) - Method in class edu.davidson.chm.equilibria.Equilibria
Sets the threshold value for setting the diagonal elements from svd to zero.
setTargetIncrement(double) - Method in class chemEquilibria.ChemEquilibria
Sets the target change for pX or E in a titration.
setTargetIncrement(double) - Method in class edu.davidson.chm.equilibria.Titration
Sets the target change in pX or E for a titration.
setTemperature(double) - Method in class chemEquilibria.ChemEquilibria
Sets the temperature (in Kelvin) of the system.
setTemperature(double) - Method in class edu.davidson.chm.equilibria.ChemSystem
Sets the system temperature
setTemperatureDependence(String, double, double) - Method in class chemEquilibria.ChemEquilibria
Sets the parameters controlling the temperature-dependence of the equilibrium constant for a reaction.
setTemperatureDependence(String, double, double, double) - Method in class chemEquilibria.ChemEquilibria
Sets the parameters used to determine the temperature-dependence of the standard potential for a half-reaction.
setTemperatureDependence(double, double, double) - Method in class edu.davidson.chm.equilibria.HalfReaction
Sets the parameters used to determine the temperature-dependence of the standard potential.
setTemperatureDependence(double, double) - Method in class edu.davidson.chm.equilibria.Reaction
Sets the parameters controlling the temperature-dependence of the equilibrium constant.
setTolerance(double) - Method in class chemEquilibria.ChemEquilibria
Sets the relative tolerance in the solve method for convergence of the amounts of each species.
setTolerance(double) - Method in class edu.davidson.chm.equilibria.Equilibria
Sets the relative tolerance for convergence of the amounts of each species
setTolerance(double) - Method in class edu.davidson.chm.equilibria.Titration
Sets the absolute tolerance for convergence of parameters.
setUsePrevious(boolean) - Method in class chemEquilibria.ChemEquilibria
Sets the usePrevious property for the solve method.
setUsePrevious(boolean) - Method in class edu.davidson.chm.equilibria.Equilibria
Sets the usePrevious property.
setVolume(String, double) - Method in class chemEquilibria.ChemEquilibria
Sets the volume (in liters) of the phase
setVolume(double) - Method in class edu.davidson.chm.equilibria.Gas
Sets the volume for the phase.
setVolume(double) - Method in class edu.davidson.chm.equilibria.Liquid
Sets the volume of the liquid.
setVolume(double) - Method in class edu.davidson.chm.equilibria.Phase
Sets the volume for the phase.
setVolume(double) - Method in class edu.davidson.chm.equilibria.Solid
Sets the volume of the solid.
setVolume(double) - Method in class edu.davidson.chm.equilibria.Solution
Sets the volume of the solution.
Solid - Class in edu.davidson.chm.equilibria
This project contains the files necessary to solve arbitrary equilibrium problems
Solid() - Constructor for class edu.davidson.chm.equilibria.Solid
 
Solid(String, ChemSystem, ChemSpecies) - Constructor for class edu.davidson.chm.equilibria.Solid
The minimal requirements for defining a Solid phase are a descriptive label, the chemical system containing the phase, and the chemical species the constitutes the solid.
Solid(String, ChemSystem, ChemSpecies, double) - Constructor for class edu.davidson.chm.equilibria.Solid
The minimal requirements for defining a Solid phase are a descriptive label, the chemical system containing the phase, and the chemical species the constitutes the solid.
Solution - Class in edu.davidson.chm.equilibria
Creates a solution phase.
Solution() - Constructor for class edu.davidson.chm.equilibria.Solution
 
Solution(String, ChemSystem, ChemSpecies) - Constructor for class edu.davidson.chm.equilibria.Solution
The minimal requirements for defining a Solution phase are a descriptive label, the chemical system containing the phase, and the chemical species that constitutes the solvent.
Solution(String, ChemSystem, ChemSpecies, double) - Constructor for class edu.davidson.chm.equilibria.Solution
The minimal requirements for defining a Solution phase are a descriptive label, the chemical system containing the phase, and the chemical species the constitutes the solvent.
Solution(String, ChemSystem, ChemSpecies, ChemSpecies, ChemSpecies, double) - Constructor for class edu.davidson.chm.equilibria.Solution
The minimal requirements for defining a Solution phase are a descriptive label, the chemical system containing the phase, and the chemical species the constitutes the solvent.
solve() - Method in class chemEquilibria.ChemEquilibria
Solves the equilibrium problem.
solveProblem() - Method in class edu.davidson.chm.equilibria.Equilibria
Solves the equilibrium problem.
Species - Class in edu.davidson.chm.equilibria
A Species object contains the information necessary to describe a chemical species
Species() - Constructor for class edu.davidson.chm.equilibria.Species
The default constructor should never be used.
Species(ChemSpecies, Phase) - Constructor for class edu.davidson.chm.equilibria.Species
Creates a species consisting of the indicated ChemSpecies in the indicated Phase.
Species(ChemSpecies, Phase, double) - Constructor for class edu.davidson.chm.equilibria.Species
Creates a species consisting of the indicated ChemSpecies in the indicated Phase.
start() - Method in class chemEquilibria.ChemEquilibria
 
stop() - Method in class chemEquilibria.ChemEquilibria
 

A C D E F G H I K L N P Q R S T W