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

A

acid - Variable in class edu.davidson.chm.equilibria.Solution

addAcidBaseSpecies(String, double, double, int, String, double) - Method in class chemEquilibria.ChemEquilibria

Creates a series of acid-base species and adds the species to a solution.

addComplexes(String, double, double, String, double, double, int, String, double) - Method in class chemEquilibria.ChemEquilibria

Creates a series of metal-ligand complexes and adds the species to a solution.

addDatum(double, double) - Method in class chemEquilibria.ChemEquilibria

Adds a V_t, pX data point to the data set.

addDatum(double, double, double) - Method in class chemEquilibria.ChemEquilibria

Adds a V_t, pX data point to the data set.

addHalfReaction(HalfReaction) - Method in class edu.davidson.chm.equilibria.ChemSystem

Adds a half-reaction to the chemical system

addHalfReaction(String, String, double) - Method in class chemEquilibria.ChemEquilibria

Creates a half-reaction and adds it to the chemical system.

addHalfReaction(String, String, double) - Method in class edu.davidson.chm.equilibria.ChemSystem

Creates a new half-reaction and adds the half-reaction to the chemical system The reaction is described by a string in the conventional chemical notation.

addPar(String, String, String) - Method in class chemEquilibria.ChemEquilibria

Adds a parameter to be optimized in the curve-fitting procedure.

addPhase(Phase) - Method in class edu.davidson.chm.equilibria.ChemSystem

Adds a existing phase to the chemical system

addReaction(Reaction) - Method in class edu.davidson.chm.equilibria.ChemSystem

Adds an existing reaction to the chemical system

addReaction(Reaction) - Method in class edu.davidson.chm.equilibria.Titration

Adds a reaction to the collection of reactions whose equilibrium constants are to be determined by the curve-fitting procedure.

addReaction(String, String, double) - Method in class chemEquilibria.ChemEquilibria

Creates a chemical reaction and adds it to the chemical system.

addReaction(String, String, double) - Method in class edu.davidson.chm.equilibria.ChemSystem

Creates a new reaction and adds the reaction to the chemical system The reaction is described by a string in the conventional chemical notation.

addSpecies(ChemSpecies, double) - Method in class edu.davidson.chm.equilibria.Phase

Adds more of an existing ChemSpecies to the phase.

addSpecies(Species) - Method in class edu.davidson.chm.equilibria.Phase

Adds a Species to the phase.

addSpecies(Species) - Method in class edu.davidson.chm.equilibria.Titration

Adds a species to the collection of species whose analytical moles are to be determined by the curve-fitting procedure.

addSpecies(String, double) - Method in class edu.davidson.chm.equilibria.Phase

Adds more of an existing ChemSpecies to the phase.

addSpecies(String, double, String, double) - Method in class chemEquilibria.ChemEquilibria

Adds the specified amount of a ChemSpecies to a Phase.

addSpecies(String, String, double) - Method in class chemEquilibria.ChemEquilibria

Adds the specified amount of a ChemSpecies to a Phase.

analMoles - Variable in class edu.davidson.chm.equilibria.Species

apply() - Method in class chemEquilibria.ChemEquilibria

Applies the best-fit parameters from the last curve-fitting procedure to the Reaction and Species objects.

apply() - Method in class edu.davidson.chm.equilibria.Titration

Applies the best-fit parameters to the original ChemSystem.

AqueousSolution - class edu.davidson.chm.equilibria.AqueousSolution.

Creates an aqueous solution phase.

AqueousSolution() - Constructor for class edu.davidson.chm.equilibria.AqueousSolution

AqueousSolution(ChemSystem) - Constructor for class edu.davidson.chm.equilibria.AqueousSolution

Creates an aqueous solution.

AqueousSolution(String, ChemSystem) - Constructor for class edu.davidson.chm.equilibria.AqueousSolution

Creates an aqueous solution.

autoChargeBalance - Variable in class edu.davidson.chm.equilibria.Phase

autodissociation - Variable in class edu.davidson.chm.equilibria.Solution

B

base - Variable in class edu.davidson.chm.equilibria.Solution

C

calc(double[]) - Method in class edu.davidson.chm.equilibria.Titration

Calculates a titration curve at the titrant volumes contained in _Vt.

calcCurve(double) - Method in class edu.davidson.chm.equilibria.Titration

Calculates the titration curve.

calculate(double) - Method in class chemEquilibria.ChemEquilibria

Calculates a theoretical titration curve

charge - Variable in class edu.davidson.chm.equilibria.ChemSpecies

ChemEquilibria - class chemEquilibria.ChemEquilibria.

This applet provides a web page interface for the edu.davidson.chm.equilibria package.

ChemEquilibria() - Constructor for class chemEquilibria.ChemEquilibria

chemSpecies - Variable in class edu.davidson.chm.equilibria.Species

ChemSpecies - class edu.davidson.chm.equilibria.ChemSpecies.

A ChemicalSpecies is a molecule or ion.

ChemSpecies() - Constructor for class edu.davidson.chm.equilibria.ChemSpecies

ChemSpecies(String, double, double) - Constructor for class edu.davidson.chm.equilibria.ChemSpecies

chemSystem - Variable in class edu.davidson.chm.equilibria.Phase

chemSystem - Variable in class edu.davidson.chm.equilibria.Species

ChemSystem - class edu.davidson.chm.equilibria.ChemSystem.

Chemical Equilibria Problem Solver

ChemSystem() - Constructor for class edu.davidson.chm.equilibria.ChemSystem

Creates a chemical system using the default parameters

ChemSystem(String) - Constructor for class edu.davidson.chm.equilibria.ChemSystem

Creates a chemical system using user-defined parameters

ChemSystem(String, double, double) - Constructor for class edu.davidson.chm.equilibria.ChemSystem

Creates a chemical system using user-defined parameters

clear() - Method in class chemEquilibria.ChemEquilibria

Clears the entire chemical system and resets the properties for a new calculation.

clearData() - Method in class chemEquilibria.ChemEquilibria

Clears the data to be fit in the curve-fitting procedure.

clearMessages() - Method in class edu.davidson.chm.equilibria.Equilibria

Clears the message list

clearParameters() - Method in class chemEquilibria.ChemEquilibria

Clears the parameters to be optimized in the curve-fitting procedure.

clearReactions() - Method in class edu.davidson.chm.equilibria.Titration

Clears all reactions to be used in the curve-fitting procedure

clearSpecies() - Method in class edu.davidson.chm.equilibria.Titration

Clears all species to be used in the curve-fitting procedure

copyOf(ChemSystem) - Method in class edu.davidson.chm.equilibria.Gas

Creates a copy of this phase and places it in the indicated ChemSystem.

copyOf(ChemSystem) - Method in class edu.davidson.chm.equilibria.HalfReaction

Returns a copy of the HalfReaction.

copyOf(ChemSystem) - Method in class edu.davidson.chm.equilibria.Liquid

Creates a copy of this phase and places it in the indicated ChemSystem.

copyOf(ChemSystem) - Method in class edu.davidson.chm.equilibria.Phase

Creates a copy of the phase and places it in the indicated ChemSystem.

copyOf(ChemSystem) - Method in class edu.davidson.chm.equilibria.Reaction

Returns a copy of the Reaction.

copyOf(ChemSystem) - Method in class edu.davidson.chm.equilibria.Solid

Creates a copy of this phase and places it in the indicated ChemSystem.

copyOf(ChemSystem) - Method in class edu.davidson.chm.equilibria.Solution

Creates a copy of this phase and places it in the indicated ChemSystem.

copyOf(String) - Method in class edu.davidson.chm.equilibria.ChemSystem

Returns a new ChemSystem with the indicated label.

createAcidBase(String, double, double, int) - Static method in class edu.davidson.chm.equilibria.ChemSpecies

Returns an array of ChemSpecies for a sequence of acid-base reactions.

createAcidBaseSpecies(Phase, ChemSpecies[], double[], double[], String) - Method in class edu.davidson.chm.equilibria.ChemSystem

Creates a series of acid-base species and adds the acid-base species to _phase and the acid-base reactions to the chemical system.

createAqueousPhase(String, double) - Method in class chemEquilibria.ChemEquilibria

Creates an aqueous solution phase.

createAqueousPhase(String, double) - Method in class edu.davidson.chm.equilibria.ChemSystem

Creates and adds an aqueous solution to the chemical system.

createChemSpecies(String) - Static method in class edu.davidson.chm.equilibria.ChemSpecies

Returns a ChemSpecies based upon the properties defined by the string (_data).

createChemSpecies(String, double, double) - Method in class chemEquilibria.ChemEquilibria

Creates a new ChemSpecies.

createComplexationSpecies(Phase, ChemSpecies[], double[], double[], String) - Method in class edu.davidson.chm.equilibria.ChemSystem

Creates a series of complex species and adds the complex species to _phase and the complexation reactions to the chemical system.

createComplexes(String, double, double, String, double, double, int) - Static method in class edu.davidson.chm.equilibria.ChemSpecies

Returns an array of ChemSpecies for a sequence of complexation reactions.

createEquations() - Method in class edu.davidson.chm.equilibria.Equilibria

Constructs the mass balance, charge-balance, and equilibrium equations for this chemical system.

createGasPhase(String) - Method in class edu.davidson.chm.equilibria.ChemSystem

Creates and adds a gas to the chemical system.

createGasPhase(String, ChemSpecies, double) - Method in class edu.davidson.chm.equilibria.ChemSystem

Creates and adds a gas to the chemical system.

createGasPhase(String, double) - Method in class chemEquilibria.ChemEquilibria

Creates a gas phase containing no species (i.e., a vacuum).

createLiquidPhase(ChemSpecies, double) - Method in class edu.davidson.chm.equilibria.ChemSystem

Creates and adds a liquid to the chemical system.

createLiquidPhase(String, ChemSpecies, double) - Method in class edu.davidson.chm.equilibria.ChemSystem

Creates and adds a liquid to the chemical system.

createLiquidPhase(String, String, double) - Method in class chemEquilibria.ChemEquilibria

Creates a liquid phase (pure substance).

createSolidPhase(ChemSpecies, double) - Method in class edu.davidson.chm.equilibria.ChemSystem

Creates and adds a solid to the chemical system.

createSolidPhase(String, ChemSpecies, double) - Method in class edu.davidson.chm.equilibria.ChemSystem

Creates and adds a solid to the chemical system.

createSolidPhase(String, String, double) - Method in class chemEquilibria.ChemEquilibria

Creates a solid phase (pure substance).

createSolutionPhase(String, ChemSpecies, ChemSpecies, ChemSpecies, double, double) - Method in class edu.davidson.chm.equilibria.ChemSystem

Creates and adds a solution to the chemical system.

createSolutionPhase(String, ChemSpecies, double) - Method in class edu.davidson.chm.equilibria.ChemSystem

Creates and adds a solution to the chemical system.

createSolutionPhase(String, ChemSpecies, double, double) - Method in class edu.davidson.chm.equilibria.ChemSystem

Creates and adds a solution to the chemical system.

createSolutionPhase(String, String, double) - Method in class chemEquilibria.ChemEquilibria

Creates an aprotic solution phase.

createSolutionPhase(String, String, double, double) - Method in class chemEquilibria.ChemEquilibria

Creates a protic solution phase.

createSolutionPhase(String, String, String, String, double, double) - Method in class chemEquilibria.ChemEquilibria

Creates a protic solution phase.

createSpecies(ChemSpecies[], double[]) - Method in class edu.davidson.chm.equilibria.Phase

Creates a series of new Species and adds them to the Phase.

createSpecies(ChemSpecies, double) - Method in class edu.davidson.chm.equilibria.Phase

Creates a new Species and adds it to the Phase.

createTitration(String, String) - Method in class chemEquilibria.ChemEquilibria

Create a Titration object using the current chemical system.

D

deleteChemSpecies(String) - Method in class chemEquilibria.ChemEquilibria

Deletes the ChemSpecies

density - Variable in class edu.davidson.chm.equilibria.Phase

destroy() - Method in class chemEquilibria.ChemEquilibria

dielectricConstant - Variable in class edu.davidson.chm.equilibria.Phase

E

Equilibria - class edu.davidson.chm.equilibria.Equilibria.

Sets up the mathematical description of a arbitrary equilibrium problems

Equilibria() - Constructor for class edu.davidson.chm.equilibria.Equilibria

Equilibria(ChemSystem) - Constructor for class edu.davidson.chm.equilibria.Equilibria

This constructor defines the chemical system.

F

F - Static variable in interface edu.davidson.chm.equilibria.PhysicalConstants

fit() - Method in class chemEquilibria.ChemEquilibria

Performs the curve-fitting procedure for titration data.

fit() - Method in class edu.davidson.chm.equilibria.Titration

Performs the curve-fitting procedures.

fw - Variable in class edu.davidson.chm.equilibria.ChemSpecies

FW - Variable in class edu.davidson.chm.equilibria.Species

G

Gas - class edu.davidson.chm.equilibria.Gas.

This project contains the files necessary to solve arbitrary equilibrium problems

Gas() - Constructor for class edu.davidson.chm.equilibria.Gas

Gas(String, ChemSystem) - Constructor for class edu.davidson.chm.equilibria.Gas

The minimal requirements for defining a Gas phase are a descriptive label and the chemical system that contains the phase.

getAcid() - Method in class edu.davidson.chm.equilibria.Gas

Returns null, because there is no solvent or conjugate acid in this type of phase.

getAcid() - Method in class edu.davidson.chm.equilibria.Liquid

Returns null, because there is no solvent or conjugate acid in this type of phase.

getAcid() - Method in class edu.davidson.chm.equilibria.Phase

Returns the conjugate acid of the solvent for a solution with a protic solvent.

getAcid() - Method in class edu.davidson.chm.equilibria.Solid

Returns null, because there is no solvent or conjugate acid in this type of phase.

getAcid() - Method in class edu.davidson.chm.equilibria.Solution

Returns the conjugate acid of the solvent for a solution with a protic solvent.

getActivity() - Method in class edu.davidson.chm.equilibria.Species

Returns the activity of the species.

getActivity(String, String) - Method in class chemEquilibria.ChemEquilibria

Returns the activity of the ChemSpecies in the Phase.

getActivityCoefficient() - Method in class edu.davidson.chm.equilibria.Species

Returns the activity coefficient for the species.

getAnalConc() - Method in class edu.davidson.chm.equilibria.Species

Returns the analytical concentration (mole/L)

getAnalConc(String, String) - Method in class chemEquilibria.ChemEquilibria

Returns the analytical molar concentration of the ChemSpecies in the Phase.

getAnalMass() - Method in class edu.davidson.chm.equilibria.Species

Returns the analytical mass in grams

getAnalMoles() - Method in class edu.davidson.chm.equilibria.Species

Returns the analytical number of moles

getAnalMoles(String, String) - Method in class chemEquilibria.ChemEquilibria

Returns the analytical moles of the ChemSpecies in the Phase.

getAnalPressure() - Method in class edu.davidson.chm.equilibria.Species

Returns the analytical partial pressure.

getAnionCounterion() - Method in class edu.davidson.chm.equilibria.ChemSystem

Returns the generic X- ChemSpecies, which is used to arbitrarily balance charge.

getAppletInfo() - Method in class chemEquilibria.ChemEquilibria

getAutoChargeBalance() - Method in class edu.davidson.chm.equilibria.Phase

Returns the autoChargeBalance property

getAutodissociation() - Method in class edu.davidson.chm.equilibria.Solution

Returns the autodissociation reaction for this solution, if the solvent is protic.

getBase() - Method in class edu.davidson.chm.equilibria.Gas

Returns null, because there is no solvent or conjugate base in this type of phase.

getBase() - Method in class edu.davidson.chm.equilibria.Liquid

Returns null, because there is no solvent or conjugate base in this type of phase.

getBase() - Method in class edu.davidson.chm.equilibria.Phase

Returns the conjugate base of the solvent for a solution with a protic solvent.

getBase() - Method in class edu.davidson.chm.equilibria.Solid

Returns null, because there is no solvent or conjugate base in this type of phase.

getBase() - Method in class edu.davidson.chm.equilibria.Solution

Returns the conjugate base of the solvent for a solution with a protic solvent.

getCationCounterion() - Method in class edu.davidson.chm.equilibria.ChemSystem

Returns the generic X+ ChemSpecies, which is used to arbitrarily balance charge.

getChar(String, int) - Method in class edu.davidson.chm.equilibria.ChemSystem

Returns a string containing character at position pos

getCharge() - Method in class edu.davidson.chm.equilibria.ChemSpecies

Returns the charge of the ChemicalSpecies.

getCharge() - Method in class edu.davidson.chm.equilibria.Species

Returns the charge on the species.

getChargeBalance(Phase) - Method in class edu.davidson.chm.equilibria.Equilibria

Returns a string representing the charge balance relation for the phase.

getChargeBalance(String) - Method in class chemEquilibria.ChemEquilibria

Returns a string representing the charge balance equation for indicated phase.

getChemSpecies() - Method in class edu.davidson.chm.equilibria.Species

Returns the ChemSpecies for this Species.

getChemSpecies(String) - Method in class chemEquilibria.ChemEquilibria

Returns the ChemSpecies

getChemSystem() - Method in class edu.davidson.chm.equilibria.Phase

Returns the chemical system in which the phase exists

getChemSystem() - Method in class edu.davidson.chm.equilibria.Species

Returns the chemical system in which the species exists

getChiSq() - Method in class chemEquilibria.ChemEquilibria

Returns the chi-square value for the last curve-fitting procedure.

getChiSq() - Method in class edu.davidson.chm.equilibria.Titration

Returns the chi-squared value

getCoefficient(Species) - Method in class edu.davidson.chm.equilibria.HalfReaction

Returns the stoichiometric coefficient of the given species.

getCoefficient(Species) - Method in class edu.davidson.chm.equilibria.Reaction

Returns the stoichiometric coefficient of the given species.

getCoefficient(String) - Method in class edu.davidson.chm.equilibria.HalfReaction

Returns the stoichiometric coefficient of the species with the given label.

getCoefficient(String) - Method in class edu.davidson.chm.equilibria.Reaction

Returns the stoichiometric coefficient of the species with the given label.

getCoefficients() - Method in class edu.davidson.chm.equilibria.HalfReaction

Returns an array of the stoichiometric coefficients for the species in the reaction

getCoefficients() - Method in class edu.davidson.chm.equilibria.Reaction

Returns an array of the stoichiometric coefficients for the species in the reaction

getConc() - Method in class edu.davidson.chm.equilibria.Species

Returns the molar concentration.

getConc(String, String) - Method in class chemEquilibria.ChemEquilibria

Returns the molar concentration of the ChemSpecies in the Phase.

getCovariance() - Method in class edu.davidson.chm.equilibria.Titration

Returns the covariance matrix from the last execution of the fit method.

getDensity() - Method in class edu.davidson.chm.equilibria.Gas

Returns the density of the gas.

getDensity() - Method in class edu.davidson.chm.equilibria.Phase

Returns the density of the phase in grams per milliliter

getDensity(String) - Method in class chemEquilibria.ChemEquilibria

Returns the density (in grams/mL) of the Phase.

getDerivative(int) - Method in class chemEquilibria.ChemEquilibria

Returns the derivative of an experimental titration curve at the _n-th point.

getDerivative(int) - Method in class edu.davidson.chm.equilibria.Titration

Returns the derivative of the titration curve at the indicated index.

getDerivative2(int) - Method in class chemEquilibria.ChemEquilibria

Returns the second derivative of an experimental titration curve at the _n-th point.

getDerivative2(int) - Method in class edu.davidson.chm.equilibria.Titration

Returns the second derivative of the titration curve at the indicated index.

getDielectricConstant() - Method in class edu.davidson.chm.equilibria.Phase

Returns the dielectric constant of the phase

getEDHEa() - Method in class edu.davidson.chm.equilibria.Phase

Returns the Extended Debye-Huckel Equations a parameter, which appears in the numerator of the expression for ln f.

getEDHEb() - Method in class edu.davidson.chm.equilibria.Phase

Returns the Extended Debye-Huckel Equations b parameter in units of 1/angstrom, which appears in the denominator of the expression for ln f.

getEquation() - Method in class edu.davidson.chm.equilibria.HalfReaction

Returns a string representation of the half-reaction.

getEquation() - Method in class edu.davidson.chm.equilibria.Reaction

Returns a string representation of the reaction.

getEquivalents() - Method in class edu.davidson.chm.equilibria.HalfReaction

Returns the number of equivalents (n)

getFW() - Method in class edu.davidson.chm.equilibria.ChemSpecies

Returns the formula weight (g/mole) of the ChemicalSpecies.

getFW() - Method in class edu.davidson.chm.equilibria.Species

Returns the formula weight of the species

getGoodnessOfFit() - Method in class chemEquilibria.ChemEquilibria

Returns the goodness-of-fit for the curve-fitting procedure.

getGoodnessOfFit() - Method in class edu.davidson.chm.equilibria.Titration

Returns the goodness-of-fit

getHalfReaction(String) - Method in class edu.davidson.chm.equilibria.ChemSystem

Returns the half-reaction with the indicated label

getHalfReactionPotential(String) - Method in class chemEquilibria.ChemEquilibria

Returns the potential in volts for the half-reaction.

getHalfReactions() - Method in class edu.davidson.chm.equilibria.ChemSystem

Returns an array of the half-reactions in the system

getHydrogen_Ion() - Method in class edu.davidson.chm.equilibria.ChemSystem

Returns the Hydrogen_Ion ChemSpecies.

getHydroxide_Ion() - Method in class edu.davidson.chm.equilibria.ChemSystem

Returns the Hydroxide_Ion ChemSpecies.

getIndex() - Method in class edu.davidson.chm.equilibria.Reaction

Returns the index of this reactions (used in Equilibria.class)

getIndex() - Method in class edu.davidson.chm.equilibria.Species

Returns the index of this Species (used in Equilibria.class)

getInfo() - Method in class edu.davidson.chm.equilibria.ChemSystem

Returns information about this class

getInfo() - Method in class edu.davidson.chm.equilibria.Equilibria

Returns information about this class

getInfo() - Method in class edu.davidson.chm.equilibria.Gas

Returns information about this class

getInfo() - Method in class edu.davidson.chm.equilibria.HalfReaction

Returns information about this class

getInfo() - Method in class edu.davidson.chm.equilibria.Liquid

Returns information about this class

getInfo() - Method in class edu.davidson.chm.equilibria.Phase

Returns information about this class

getInfo() - Method in class edu.davidson.chm.equilibria.Reaction

Returns information about this class

getInfo() - Method in class edu.davidson.chm.equilibria.Solid

Returns information about this class

getInfo() - Method in class edu.davidson.chm.equilibria.Solution

Returns information about this class

getInfo() - Method in class edu.davidson.chm.equilibria.Species

Returns information about this class

getInfo() - Method in class edu.davidson.chm.equilibria.Titration

Returns information about this class

getIonicStrength() - Method in class edu.davidson.chm.equilibria.Gas

Returns zero, because ionic strength has no meaning for this phase

getIonicStrength() - Method in class edu.davidson.chm.equilibria.Liquid

Returns zero, because ionic strength has no meaning for this phase

getIonicStrength() - Method in class edu.davidson.chm.equilibria.Phase

Returns the ionic strength of the phase

getIonicStrength() - Method in class edu.davidson.chm.equilibria.Solid

Returns zero, because ionic strength has no meaning for this phase

getIonicStrength() - Method in class edu.davidson.chm.equilibria.Solution

Returns the ionic strength (mole/L) for the solution.

getIonicStrength(String) - Method in class chemEquilibria.ChemEquilibria

Returns the ionic strength of the phase in mole/L.

getIonSize() - Method in class edu.davidson.chm.equilibria.ChemSpecies

Returns the Debye-Huckel ion-size parameter in angstroms.

getIonSize() - Method in class edu.davidson.chm.equilibria.Species

Returns the Debye-Huckel ion size parameter in angstroms

getIsAcid() - Method in class edu.davidson.chm.equilibria.Species

Returns the isAcid property

getIsAuto() - Method in class edu.davidson.chm.equilibria.Reaction

Returns the isAuto property, which indicates whether this reaction is an autodissociation reaction

getIsBase() - Method in class edu.davidson.chm.equilibria.Species

Returns the isBase property

getIsHomogeneous() - Method in class edu.davidson.chm.equilibria.Reaction

Returns the isHomogeneous property, which indicates whether all reactants and products in the reaction exist in the same phase.

getIsIdeal() - Method in class edu.davidson.chm.equilibria.ChemSystem

Returns the isIdeal property.

getIsIsobaric() - Method in class edu.davidson.chm.equilibria.ChemSystem

Returns true if the system is isobaric.

getIsProtic() - Method in class edu.davidson.chm.equilibria.Phase

Returns true if the phase is a solution with a protic solvent

getIsReactive() - Method in class edu.davidson.chm.equilibria.Species

Returns the isReactive status

getIsSolvent() - Method in class edu.davidson.chm.equilibria.Species

Returns the isSolvent status

getIsValid() - Method in class edu.davidson.chm.equilibria.HalfReaction

Returns the isValid property

getIsValid() - Method in class edu.davidson.chm.equilibria.Reaction

Returns the isValid property

getK() - Method in class edu.davidson.chm.equilibria.Reaction

Returns the thermodynamic equilibrium constant at the reference temperature

getK(double) - Method in class edu.davidson.chm.equilibria.Reaction

Returns the equilibrium constant at the indicated temperature.

getK(String) - Method in class chemEquilibria.ChemEquilibria

Returns the equilibrium constant for the reaction at the reference temperature

getK(String, double) - Method in class chemEquilibria.ChemEquilibria

Returns the equilibrium constant for the reaction at the indicated temperature

getLabel() - Method in class edu.davidson.chm.equilibria.ChemSpecies

Returns the descriptive label of the ChemSpecies.

getLabel() - Method in class edu.davidson.chm.equilibria.ChemSystem

Returns the chemical system label

getLabel() - Method in class edu.davidson.chm.equilibria.HalfReaction

Returns the label for the half-reaction

getLabel() - Method in class edu.davidson.chm.equilibria.Phase

Returns the phase label

getLabel() - Method in class edu.davidson.chm.equilibria.Reaction

Returns the label of the reaction

getLabel() - Method in class edu.davidson.chm.equilibria.Species

Returns the phase label

getMass() - Method in class edu.davidson.chm.equilibria.Liquid

Returns the mass in grams of the liquid.

getMass() - Method in class edu.davidson.chm.equilibria.Phase

Returns the total mass of the phase in grams

getMass() - Method in class edu.davidson.chm.equilibria.Solid

Returns the mass in grams of the solid.

getMass() - Method in class edu.davidson.chm.equilibria.Species

Returns the mass in grams

getMass(String, String) - Method in class chemEquilibria.ChemEquilibria

Returns the actual mass (in grams) of ChemSpecies in the Phase.

getMassBalance() - Method in class edu.davidson.chm.equilibria.Equilibria

Returns an array of strings representing the mass balance relations for the chemical system.

getMassBalance(int) - Method in class chemEquilibria.ChemEquilibria

Returns a string containing the mass balance equation

getMessages() - Method in class chemEquilibria.ChemEquilibria

Returns an array of strings containing messages from the last analysis of the chemical system using the parse method.

getMessages() - Method in class edu.davidson.chm.equilibria.Equilibria

Returns the last set of messages generated by the parse method.

getMinValue() - Method in class chemEquilibria.ChemEquilibria

Returns the minimum positive value for the moles of any species.

getMinValue() - Method in class edu.davidson.chm.equilibria.Equilibria

Returns the minimum positive value for the moles of any species.

getMoles() - Method in class edu.davidson.chm.equilibria.Phase

Returns the total moles of species in the phase

getMoles() - Method in class edu.davidson.chm.equilibria.Species

Returns the moles of the species.

getMoles(String, String) - Method in class chemEquilibria.ChemEquilibria

Returns the actual moles of ChemSpecies in the Phase.

getNbrMassBalance() - Method in class chemEquilibria.ChemEquilibria

Returns the number of mass balance equations for the system

getNbrMassBalance() - Method in class edu.davidson.chm.equilibria.Equilibria

Returns the number of mass balance equations for the system

getNbrParseMessages() - Method in class chemEquilibria.ChemEquilibria

Returns the number of messages from the last parse operation

getNbrPhases() - Method in class edu.davidson.chm.equilibria.ChemSystem

Returns the number of Phases in the Chemical System

getNbrPoints() - Method in class chemEquilibria.ChemEquilibria

Returns the number of points in the calculated titration curve

getNbrReactions() - Method in class edu.davidson.chm.equilibria.ChemSystem

Returns the number of Reactions in the Chemical System

getNbrSpecies() - Method in class edu.davidson.chm.equilibria.Phase

Returns the number of species in the phase

getNbrSpecies() - Method in class edu.davidson.chm.equilibria.Reaction

Returns the number of different species in the reaction

getPar() - Method in class edu.davidson.chm.equilibria.Titration

Returns an array containing the current values of the parameters from the last execution of the fit method.

getPar(int) - Method in class chemEquilibria.ChemEquilibria

Returns the parameter with index _idx.

getParameter(String, String) - Method in class chemEquilibria.ChemEquilibria

getParameterInfo() - Method in class chemEquilibria.ChemEquilibria

getParseMessage(int) - Method in class chemEquilibria.ChemEquilibria

Returns message _n from the last analysis of the chemical system using the parse method.

getParStd() - Method in class edu.davidson.chm.equilibria.Titration

Returns an array containing the standard deviations of the parameters from the last execution of the fit method.

getParStd(int) - Method in class chemEquilibria.ChemEquilibria

Returns the standard deviation of parameter with index _idx.

getpH() - Method in class edu.davidson.chm.equilibria.Phase

Returns the pH of the phase.

getpH() - Method in class edu.davidson.chm.equilibria.Solution

Returns the pH value for a protic solution.

getpH(String) - Method in class chemEquilibria.ChemEquilibria

Returns the pH of the phase.

getPhase() - Method in class edu.davidson.chm.equilibria.HalfReaction

Returns the phase of the electrode

getPhase() - Method in class edu.davidson.chm.equilibria.Reaction

Returns the phase in which the reaction occurs.

getPhase() - Method in class edu.davidson.chm.equilibria.Species

Returns the phase in which the species exists

getPhase(int) - Method in class edu.davidson.chm.equilibria.ChemSystem

Returns the phase at the requested index

getPhase(String) - Method in class edu.davidson.chm.equilibria.ChemSystem

Returns the phase with the given label

getPhases() - Method in class edu.davidson.chm.equilibria.ChemSystem

Returns an array of phases in the system

getPhysicalState() - Method in class edu.davidson.chm.equilibria.Phase

Returns the physical state of the phase.

getPhysicalState() - Method in class edu.davidson.chm.equilibria.Species

Returns the physical state of the species.

getpK() - Method in class edu.davidson.chm.equilibria.Reaction

Returns pK for the reaction at the reference temperature

getpK(double) - Method in class edu.davidson.chm.equilibria.Reaction

Returns pK for the reaction at _temperature

getpK(String) - Method in class chemEquilibria.ChemEquilibria

Returns pK for the reaction at the reference temperature

getpK(String, double) - Method in class chemEquilibria.ChemEquilibria

Returns pK for the reaction at the indicated temperature

getpOH() - Method in class edu.davidson.chm.equilibria.Phase

Returns the pOH of the phase.

getpOH() - Method in class edu.davidson.chm.equilibria.Solution

Returns the pOH value for a protic solution.

getpOH(String) - Method in class chemEquilibria.ChemEquilibria

Returns the pOH of the phase.

getPotential() - Method in class edu.davidson.chm.equilibria.HalfReaction

Returns the potential in volts for the half-reaction using the current activities of the reactants and products.

getPotential(Phase) - Method in class edu.davidson.chm.equilibria.ChemSystem

Returns the half-cell potential in volts for the indicated electrode at the system temperature.

getPotential(Phase, Phase) - Method in class edu.davidson.chm.equilibria.ChemSystem

Returns the cell potential (potential of electrode1 minus that of electrode2) in volts at the system temperature.

getPotential(String) - Method in class chemEquilibria.ChemEquilibria

Returns the potential in volts for the indicated electrode.

getPotential(String) - Method in class edu.davidson.chm.equilibria.ChemSystem

Returns the half-cell potential in volts for the indicated electrode at the system temperature.

getPotential(String, String) - Method in class chemEquilibria.ChemEquilibria

Returns the potential in volts for the indicated cell.

getPotential(String, String) - Method in class edu.davidson.chm.equilibria.ChemSystem

Returns the cell potential (potential of electrode1 minus that of electrode2) in volts at the system temperature.

getPressure() - Method in class edu.davidson.chm.equilibria.ChemSystem

Returns the system pressure in atmospheres

getPressure() - Method in class edu.davidson.chm.equilibria.Gas

Returns the pressure of the gas.

getPressure() - Method in class edu.davidson.chm.equilibria.Liquid

Returns the pressure of the liquid, which is the same as the system pressure.

getPressure() - Method in class edu.davidson.chm.equilibria.Phase

Returns the pressure of the phase.

getPressure() - Method in class edu.davidson.chm.equilibria.Solid

Returns the pressure of the solid, which is the same as the system pressure.

getPressure() - Method in class edu.davidson.chm.equilibria.Solution

Returns the pressure of the solution, which is the same as the system pressure.

getPressure() - Method in class edu.davidson.chm.equilibria.Species

Returns the partial pressure of the species in atmospheres.

getPressure(double, double) - Method in class edu.davidson.chm.equilibria.Gas

Returns the pressure of a gas containing the indicated number of moles and the volume of the gas.

getPressure(double, double) - Method in class edu.davidson.chm.equilibria.Phase

Returns the pressure of the phase for the specified number of moles and the indicated volume (in Liters).

getPressure(String) - Method in class chemEquilibria.ChemEquilibria

Returns the pressure (in atm) of the Phase.

getPressure(String, String) - Method in class chemEquilibria.ChemEquilibria

Returns the partial pressure (in atm) of the ChemSpecies in the Phase.

getReaction(int) - Method in class edu.davidson.chm.equilibria.ChemSystem

Returns the reaction at the requested index

getReaction(String) - Method in class edu.davidson.chm.equilibria.ChemSystem

Returns the reaction with the indicated label

getReactions() - Method in class edu.davidson.chm.equilibria.ChemSystem

Returns an array of the reactions in the system

getReferenceTemperature() - Method in class edu.davidson.chm.equilibria.HalfReaction

Returns the reference temperature for the standard potential

getReferenceTemperature() - Method in class edu.davidson.chm.equilibria.Reaction

Returns the reference temperature for the equilibrium constant

getSolvent() - Method in class edu.davidson.chm.equilibria.Gas

Returns null, because this phase has no solvent

getSolvent() - Method in class edu.davidson.chm.equilibria.Liquid

Returns null, because this phase has no solvent

getSolvent() - Method in class edu.davidson.chm.equilibria.Phase

Returns the solvent species of a solution.

getSolvent() - Method in class edu.davidson.chm.equilibria.Solid

Returns null, because this phase has no solvent

getSolvent() - Method in class edu.davidson.chm.equilibria.Solution

Returns the solvent species of a solution.

getSpecies() - Method in class edu.davidson.chm.equilibria.ChemSystem

Returns an array of species in the system

getSpecies() - Method in class edu.davidson.chm.equilibria.HalfReaction

Returns an array of the species involved in the reaction

getSpecies() - Method in class edu.davidson.chm.equilibria.Phase

Returns an array of species in the system

getSpecies() - Method in class edu.davidson.chm.equilibria.Reaction

Returns an array of the species involved in the reaction

getSpecies(ChemSpecies) - Method in class edu.davidson.chm.equilibria.Phase

Returns the Species with the given ChemSpecies.

getSpecies(String) - Method in class edu.davidson.chm.equilibria.ChemSystem

Returns the species in the system with the given label.

getSpecies(String) - Method in class edu.davidson.chm.equilibria.Phase

Returns the species with the given label; returns null if the species does not exist.

getSpecies(String, String) - Method in class edu.davidson.chm.equilibria.ChemSystem

Returns the species in the system and in the indicated phase with the given label.

getSpeciesAt(int) - Method in class edu.davidson.chm.equilibria.Phase

Returns species at given index

getStandardPotential() - Method in class edu.davidson.chm.equilibria.HalfReaction

Returns the standard potential in volts for the half-reaction at the reference potential

getStandardPotential(double) - Method in class edu.davidson.chm.equilibria.HalfReaction

Returns the standard potential in volts for the half-reaction at the indicated temperature

getStandardPotential(String, double) - Method in class chemEquilibria.ChemEquilibria

Returns the standard potential for the half-reaction at the indicated temperature

getTemperature() - Method in class chemEquilibria.ChemEquilibria

Returns the absolute temperature of the system.

getTemperature() - Method in class edu.davidson.chm.equilibria.ChemSystem

Returns the system temperature in Kelvin

getTemperatureDependence() - Method in class edu.davidson.chm.equilibria.HalfReaction

Returns an array containing the parameters a, b, and c characterizing the temperature dependence of the HalfReaction

getTemperatureDependence() - Method in class edu.davidson.chm.equilibria.Reaction

Returns an array containing the parameters a and b characterizing the temperature dependence of the Reaction

getTitrationValue(int) - Method in class chemEquilibria.ChemEquilibria

Gets the pX or E value in a calculated titration curve

getTolerance() - Method in class edu.davidson.chm.equilibria.Equilibria

Returns the tolerance for convergence of variables

getVolume() - Method in class edu.davidson.chm.equilibria.Gas

Returns the volume of the gas.

getVolume() - Method in class edu.davidson.chm.equilibria.Liquid

Returns the volume of the phase in liters

getVolume() - Method in class edu.davidson.chm.equilibria.Phase

Returns the volume of the phase in liters

getVolume() - Method in class edu.davidson.chm.equilibria.Solid

Returns the volume of the phase in liters

getVolume() - Method in class edu.davidson.chm.equilibria.Solution

Returns the volume of the phase in liters

getVolume(String) - Method in class chemEquilibria.ChemEquilibria

Returns the actual volume (in liters) of the phase.

getVolumeTitrant(int) - Method in class chemEquilibria.ChemEquilibria

Gets the volume (in mL) of titrant added in a calculated titration curve

getWater() - Method in class edu.davidson.chm.equilibria.ChemSystem

Returns the Water chemical species for this chemical system

H

HalfReaction - class edu.davidson.chm.equilibria.HalfReaction.

This class contains the description of a half-reaction.

HalfReaction() - Constructor for class edu.davidson.chm.equilibria.HalfReaction

The default constructor should not be used.

HalfReaction(Species[], double[], double, double, Phase) - Constructor for class edu.davidson.chm.equilibria.HalfReaction

Constructs a HalfReaction based upon a list of species and their stoichiometric coefficients.

HalfReaction(String, Species[], double[], double, double, Phase) - Constructor for class edu.davidson.chm.equilibria.HalfReaction

Constructs a HalfReaction based upon a list of species and their stoichiometric coefficients.

Hydrogen_Ion - class edu.davidson.chm.equilibria.Hydrogen_Ion.

Hydrogen_Ion() - Constructor for class edu.davidson.chm.equilibria.Hydrogen_Ion

Hydroxide_Ion - class edu.davidson.chm.equilibria.Hydroxide_Ion.

Hydroxide_Ion() - Constructor for class edu.davidson.chm.equilibria.Hydroxide_Ion

I

index - Variable in class edu.davidson.chm.equilibria.Species

init() - Method in class chemEquilibria.ChemEquilibria

ionSize - Variable in class edu.davidson.chm.equilibria.ChemSpecies

IONSIZE - Variable in class edu.davidson.chm.equilibria.Species

isAcid - Variable in class edu.davidson.chm.equilibria.Species

isBase - Variable in class edu.davidson.chm.equilibria.Species

isEquivalent(Reaction) - Method in class edu.davidson.chm.equilibria.Reaction

Returns true if all ChemSpecies and stoichiometric coefficients and the equilibrium constant of the user-supplied Reaction are the same as this Reaction.

isEquivalent(Species) - Method in class edu.davidson.chm.equilibria.Species

Returns true if the Species is equivalent to the user-supplied Species.

isProtic - Variable in class edu.davidson.chm.equilibria.Phase

isReactive - Variable in class edu.davidson.chm.equilibria.Species

isSolvent - Variable in class edu.davidson.chm.equilibria.Species

K

k - Static variable in interface edu.davidson.chm.equilibria.PhysicalConstants

L

label - Variable in class edu.davidson.chm.equilibria.ChemSpecies

label - Variable in class edu.davidson.chm.equilibria.Phase

Liquid - class edu.davidson.chm.equilibria.Liquid.

This project contains the files necessary to solve arbitrary equilibrium problems

Liquid() - Constructor for class edu.davidson.chm.equilibria.Liquid

Liquid(String, ChemSystem, ChemSpecies) - Constructor for class edu.davidson.chm.equilibria.Liquid

The minimal requirements for defining a Liquid phase are a descriptive label, the chemical system containing the phase, and the chemical species the constitutes the liquid.

loadLibrary(String) - Method in class chemEquilibria.ChemEquilibria

Creates all ChemSpecies defined in a library file.

M

makeLabel(String, double) - Static method in class edu.davidson.chm.equilibria.ChemSpecies

moles - Variable in class edu.davidson.chm.equilibria.Species

N

No - Static variable in interface edu.davidson.chm.equilibria.PhysicalConstants

P

parse() - Method in class chemEquilibria.ChemEquilibria

Parses the chemical system to identify possible problems.

parse() - Method in class edu.davidson.chm.equilibria.Equilibria

Parses a chemical system to determine if it a solution exists.

parse(String) - Method in class edu.davidson.chm.equilibria.ChemSystem

Parses a string describing a reaction.

parseLine(String) - Method in class chemEquilibria.ChemEquilibria

Parses a line from the ChemSpecies library and returns a new ChemSpecies based upon the content of the line.

perm - Static variable in interface edu.davidson.chm.equilibria.PhysicalConstants

phase - Variable in class edu.davidson.chm.equilibria.Species

Phase - class edu.davidson.chm.equilibria.Phase.

The phase (a gas, liquid, solid, or solution) is a component in a chemical system and contains one or more chemical species.

Phase() - Constructor for class edu.davidson.chm.equilibria.Phase

PhysicalConstants - interface edu.davidson.chm.equilibria.PhysicalConstants.

physState - Variable in class edu.davidson.chm.equilibria.Phase

PHYSSTATE - Variable in class edu.davidson.chm.equilibria.Species

printMessages() - Method in class edu.davidson.chm.equilibria.Equilibria

Prints parse messages on the Java console.

Q

qe - Static variable in interface edu.davidson.chm.equilibria.PhysicalConstants

R

R - Static variable in interface edu.davidson.chm.equilibria.PhysicalConstants

Reaction - class edu.davidson.chm.equilibria.Reaction.

This class contains the stoichiometric description of a chemical reaction.

Reaction() - Constructor for class edu.davidson.chm.equilibria.Reaction

This constructor should never be used.

Reaction(Species[], double[], double) - Constructor for class edu.davidson.chm.equilibria.Reaction

Constructs a Reaction based upon a list of species and their stoichiometric coefficients.

Reaction(String, Species[], double[], double) - Constructor for class edu.davidson.chm.equilibria.Reaction

Constructs a Reaction based upon a list of species and their stoichiometric coefficients.

removeHalfReaction(HalfReaction) - Method in class edu.davidson.chm.equilibria.ChemSystem

Removes the half-reaction from the chemical system.

removeHalfReaction(String) - Method in class chemEquilibria.ChemEquilibria

Removes the half-reaction from the chemical system

removeHalfReaction(String) - Method in class edu.davidson.chm.equilibria.ChemSystem

Removes the half-reaction from the chemical system.

removePhase(Phase) - Method in class edu.davidson.chm.equilibria.ChemSystem

Removes the phase from the chemical system.

removePhase(String) - Method in class chemEquilibria.ChemEquilibria

Removes the phase from the chemical system.

removePhase(String) - Method in class edu.davidson.chm.equilibria.ChemSystem

Removes the phase with the given label from the chemical system

removeReaction(Reaction) - Method in class edu.davidson.chm.equilibria.ChemSystem

Removes the reaction from the chemical system.

removeReaction(String) - Method in class chemEquilibria.ChemEquilibria

Removes the reaction from the chemical system

removeReaction(String) - Method in class edu.davidson.chm.equilibria.ChemSystem

Removes the reaction with the given label from the chemical system

removeSpecies(Species) - Method in class edu.davidson.chm.equilibria.Phase

Removes the species from the phase.

removeSpecies(String) - Method in class edu.davidson.chm.equilibria.Phase

Removes the species with the given label.

removeSpecies(String, String) - Method in class chemEquilibria.ChemEquilibria

Removes the species from the phase.

RESERVED - Variable in class edu.davidson.chm.equilibria.Species

RJ - Static variable in interface edu.davidson.chm.equilibria.PhysicalConstants

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(double) - Method in class edu.davidson.chm.equilibria.Species

Sets the analytical concentration (moles/L).

setAnalConc(String, String, double) - Method in class chemEquilibria.ChemEquilibria

Sets the analytical concentration (mole/L) of the ChemSpecies

setAnalMass(double) - Method in class edu.davidson.chm.equilibria.Species

Sets the analytical mass of the species

setAnalMass(String, String, double) - Method in class chemEquilibria.ChemEquilibria

Sets the analytical mass (in grams) of the ChemSpecies in the Phase.

setAnalMoles(double) - Method in class edu.davidson.chm.equilibria.Species

Sets the analytical number of moles.

setAnalMoles(String, String, double) - Method in class chemEquilibria.ChemEquilibria

Sets the analytical moles of the ChemSpecies in the Phase.

setAnalPressure(double) - Method in class edu.davidson.chm.equilibria.Species

Sets the analytical partial pressure in atmospheres.

setAnalPressure(String, String, double) - Method in class chemEquilibria.ChemEquilibria

Sets the analytical partial pressure of the ChemSpecies in the Phase.

setAutoChargeBalance(boolean) - Method in class edu.davidson.chm.equilibria.Phase

Sets the autoChargeBalance property.

setAutoChargeBalance(String, boolean) - Method in class chemEquilibria.ChemEquilibria

Sets the autoChargeBalance property for the indicated phase.

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(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.

setDensity(String, double) - Method in class chemEquilibria.ChemEquilibria

Sets the density (in grams/mL) of the Phase.

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.

setIndex(int) - Method in class edu.davidson.chm.equilibria.Reaction

Sets the index of this reaction (used in Equilibria.class)

setIndex(int) - Method in class edu.davidson.chm.equilibria.Species

Sets the index of this species (used in Equilibria.class)

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.

setIonSize(String, double) - Method in class chemEquilibria.ChemEquilibria

Sets the ion-size parameter (used in the Extended Debye-Huckel Equation) for the chemical species.

setIsAcid(boolean) - Method in class edu.davidson.chm.equilibria.Species

Sets the isAcid property

setIsAuto(boolean) - Method in class edu.davidson.chm.equilibria.Reaction

Sets the isAuto property to identify autodissociation reactions

setIsBase(boolean) - Method in class edu.davidson.chm.equilibria.Species

Sets the isBase property

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.

setIsReactive(boolean) - Method in class edu.davidson.chm.equilibria.Species

Sets the isReactive status

setIsSolvent(boolean) - Method in class edu.davidson.chm.equilibria.Species

Sets the isSolvent status

setIsValid(boolean) - Method in class edu.davidson.chm.equilibria.HalfReaction

Sets the isValid property

setIsValid(boolean) - Method in class edu.davidson.chm.equilibria.Reaction

Sets the isValid property

setK(double) - Method in class edu.davidson.chm.equilibria.Reaction

Sets the thermodynamic equilibrium constant at the reference temperature

setK(String, double) - Method in class chemEquilibria.ChemEquilibria

Sets the equilibrium constant for the reaction identified by the label.

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.

setMaxInc