EquilibrateState Class

Class Inheritance

NSObject ▶️ EquilibrateState

Protocols Implemented

None

Properties

@property (readwrite, assign) double mass

@property (readwrite, assign) DoubleVector *bulkCompositionInOxides

@property (readwrite, assign) DoubleVector *bulkCompositionInElements

@property (readwrite, strong) NSMutableDictionary *phasesInSystem

@property (readwrite, strong) NSMutableDictionary *potentialPhaseList

@property (readwrite, assign) double T

@property (readwrite, assign) double P

@property (readwrite, assign) double referenceEntropyOfSystem

@property (readwrite, assign) double referenceVolumeOfSystem

@property (readwrite, assign) double referenceEnthalpyOfSystem

@property (readwrite, assign) double correctionToReferenceEntropyOfSystem

@property (readwrite, assign) double correctionToReferenceVolumeOfSystem

@property (readwrite, assign) double fo2

@property (readwrite, assign) NSUInteger fo2Path

@property (readwrite, assign) double fo2Delta

@property (readwrite, assign) double referenceOxygen

Class Methods

🔹 elements[] += scaler * reference[].

Takes an input vector of lenth 107 containig mole numbers of elements indexed on atomic number and adds to that vector a scaler multple of another vector of length 107 which represents a phase stoichiometry.

@param elements
double vector of length 107. Input and output.

@param scaler
input only

@param reference
double vector of length 107. Input only.

+(void)accumulateIntoVectorOfElements:(double *)elements aScaler:(double)scaler timesElementReferenceVector:(double *)reference

🔹 elements[] *= scaler.

Takes an input vector of lenth 107 containig mole numbers of elements indexed on atomic number and multiplies each element of that vector by a scaler.

@param elements
input/output double vector of length 107. Input and output.

@param scaler
input only

+(void)scaleVectorOfElements:(double *)elements aScaler:(double)scaler

Instance Methods

🔹 Initialize with the number of oxides (system components)

@param na
Number of components in the system (in the usual case the number of oxides)

-(id)initWithComponentNumber:(NSUInteger)na

🔹 Determines the number of non-zero entries in the element array instance variable bulkCompositionInElements

@return
number of non-zero entries

-(NSUInteger)numberOfNonZeroElements

🔹 Generates and returns a table of element indices for non-zero entries in the element array instance variable bulkCompositionInElements

@return
An NSArray of NSNumber objects each containing a NSUInteger index

-(NSArray *)hashTableOfNonZeroElementEntries

🔹 Formats an instance of the EquilibrateState class as an XML document

@return
Pointer to an NSXMLDocument with root element EquilibrateState that contains the current instance

-(NSXMLElement *)getEquilibrateStateAsXMLElement:(id)delegate selector:(SEL)convertMolesOfElementsToGramsOfOxides