Public Member Functions |
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| Rock (void) |
| | blank constructor. STP assumed.
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virtual | ~Rock (void) |
| | destructor
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virtual void | setTk (double ltk) |
| | set T in Kelvins
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virtual void | setPa (double lpa) |
| | set P in Pascals
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virtual void | setlogfo2 (int mode, double delta) |
| | set logfo2 mode and delNNO (default none)
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virtual void | supressPhase (int iphase) |
| | supress phase number iphase. All suppressed by default.
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virtual void | enablePhase (int iphase) |
| | enable phase number iphase. All supressed by default.
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virtual void | setIsenthalpic (int i) |
| | put rock in isenthalpic mode (default 0);
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virtual void | setIsentropic (int i) |
| | put rock in isentropic mode (default 0);
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virtual void | setIsochoric (int i) |
| | put rock in isochoric mode (default 0);
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virtual void | setBulkCompM (double *bc) |
| | set bulk composition in mole fraction. Values copied to internal array.
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virtual void | setBulkCompW (double *bc) |
| | set bulk composition in weight%. Values copied to internal array.
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virtual void | fractionateSolids (double scale) |
| | fractionate solids (scale = fraction removed) from system
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virtual void | setVolume (double v) |
| | set system volume in J/Pa
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virtual void | setEnthalpy (double h) |
| | set system enthalpy in J
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virtual void | setEntropy (double s) |
| | set system entropy in J/K
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virtual double | getTk () |
| | returns T in Kelvins
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virtual double | getPa () |
| | returns P in Pascals
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virtual int | getNcomp () |
| | returns number of rock components
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virtual int | getNLiqComp () |
| | returns number of liquid components
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virtual int | getNSolPhases () |
| | returns number of potential solid phases (suppressed and enabled)
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virtual const char * | getSolPhaseName (int iphase) |
| | returns name of solid phase i
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| virtual const char * | getSolPhaseFormula (int iphase, int instance) |
| virtual const char * | getSolPhaseFormula (int iphase) |
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virtual int | getNSolComp (int i) |
| | returns number of components for phase i
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| virtual const char * | getSolPhaseCompName (int iphase, int icomp) |
| virtual const char * | getSolPhaseCompFormula (int iphase, int icomp) |
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virtual const char * | getCompName (int i) |
| | returns pointer to name of bulk component (oxide)
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virtual const char * | getLiqCompName (int i) |
| | returns pointer to name of liquid component
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virtual void | getLiqComp (double *lx) |
| | returns liquid composition
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virtual void | getLiqCompWt (double *lx) |
| | returns liquid composition in wt% oxides
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virtual void | getLiqMu (double *lmu) |
| | returns liquid mu
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virtual void | getLiqActivity (double *lact) |
| | returns liquid activities
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int | getNSatSolid () |
| | Returns number of saturated solid phases.
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void | getSatSolidList (int *ilist) |
| | Returns list of indices for currently saturated solids.
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| virtual int | getSolComp (int iphase, int instance, double *sx) |
| virtual int | getSolComp (int iphase, double *sx) |
| virtual int | getSolCompWt (int iphase, int instance, double *sx) |
| virtual int | getSolCompWt (int iphase, double *sx) |
| virtual int | getSolMu (int iphase, int instance, double *smu) |
| virtual int | getSolMu (int iphase, double *smu) |
| virtual double | getAffinity (int iphase, double *x) |
| virtual int | getSolVbar (int iphase, int instance, double *svbar) |
| virtual int | getSolVbar (int iphase, double *svbar) |
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virtual double | getlogfo2 () |
| | get current log10fo2
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virtual double | getlogfo2 (int mode) |
| | get current log10fo2 relative to buffer specified in mode
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virtual void | getBulkCompM (double *bc) |
| | get bulk composition in moles
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virtual void | getBulkCompW (double *bc) |
| | get bulk composition in grams
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virtual double | getLiquidMass () |
| | get liquid mass in gm
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virtual double | getSolidMass () |
| | get solid mass in gm
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| virtual double | getSolPhaseMass (int iphase, int instance) |
| virtual double | getSolPhaseMass (int iphase) |
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virtual double | getVolume () |
| | returns system volume in J/Pa
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virtual double | getSolidGibbsFreeEnergy () |
| | returns Gibbs free energy of solids in J/Pa
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virtual double | getSolidEnthalpy () |
| | returns enthalpy of solids in J/Pa
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virtual double | getSolidEntropy () |
| | returns entropy of solids in J/Pa
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virtual double | getSolidHeatCapacity () |
| | returns heat capacity of solids in J/Pa
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virtual double | getSolidVolume () |
| | returns volume of solids in J/Pa
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| virtual double | getSolidGibbsFreeEnergy (int iphase, int instance) |
| virtual double | getSolidGibbsFreeEnergy (int iphase) |
| virtual double | getSolidEnthalpy (int iphase, int instance) |
| virtual double | getSolidEnthalpy (int iphase) |
| virtual double | getSolidEntropy (int iphase, int instance) |
| virtual double | getSolidEntropy (int iphase) |
| virtual double | getSolidHeatCapacity (int iphase, int instance) |
| virtual double | getSolidHeatCapacity (int iphase) |
| virtual double | getSolidVolume (int iphase, int instance) |
| virtual double | getSolidVolume (int iphase) |
| virtual double | getSoliddVdT (int iphase, int instance) |
| virtual double | getSoliddVdT (int iphase) |
| virtual double | getSoliddVdP (int iphase, int instance) |
| virtual double | getSoliddVdP (int iphase) |
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virtual double | getDeltaOxygen () |
| | returns moles of oxygen added/removed from system
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virtual double | getOxygenGibbsFreeEnergy () |
| | returns Oxygen Gibbs Free Energy in J/mol
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virtual double | getOxygenEnthalpy () |
| | returns Oxygen enthalpy in J/mol
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virtual double | getOxygenEntropy () |
| | returns Oxygen entropy in J/K-mol
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virtual double | getOxygenHeatCapacity () |
| | returns Oxygen heat capacity in J/K-mol
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virtual double | getOxygenVolume () |
| | returns Oxygen volume in J/Pa-mol
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virtual double | getLiquidGibbsFreeEnergy () |
| | returns liquid Gibbs Free Energy in J
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virtual double | getLiquidEnthalpy () |
| | returns liquid enthalpy in J
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virtual double | getLiquidEntropy () |
| | returns liquid entropy in J/K
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virtual double | getLiquidHeatCapacity () |
| | returns liquid heat capacity in J/K
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virtual double | getLiquidVolume () |
| | returns liquid volume in J/Pa
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virtual double | getLiquiddVdT () |
| | returns liquid dVdT in J/(Pa*K)
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virtual double | getLiquiddVdP () |
| | returns liquid dVdP in J/Pa^2
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virtual double | getLiquidViscosity () |
| | returns liquid viscosity in log10 (poise)
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virtual int | getPhaseNo (const char *lab) |
| | get integer value of solid phase corresponding to label
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virtual int | isSingleComponent (int iphase) |
| | returns boolean indicating if phase iphase is single-component.
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virtual int | getNumberCoexistPhase (int iphase) |
| | get number of coexisting phases in stable assemblage
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virtual int | findRockLiquidus () |
| | find liquidus temperature for this bulk composition and sets state
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virtual int | equilibrateRock () |
| | execute equilibration on current state
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Public Attributes |
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const int | fo2_none |
| | no oxygen fugacity constraint mode
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const int | fo2_hm |
| | hematite-magnetite oxygen fugacity constraint mode
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const int | fo2_nno |
| | Ni-NiO oxygen fugacity constraint mode.
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const int | fo2_qfm |
| | QFM oxygen fugacity constraint mode.
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const int | fo2_iw |
| | iron-wustite oxygen fugacity constraint mode
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Protected Member Functions |
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virtual int | init (void) |
| | private initialization routine
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virtual int | initializeState () |
| | function turns off iso* modes to initialize Rock state. Arguments are working space
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virtual void | equilibrateError (int err) |
| | prints equilibrate error explanations
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virtual void | findLiquidusError (int err) |
| | prints findLiquidus error explanations
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virtual void | liquify () |
| | converts everything to liquid and zero's solid.
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virtual void | printSilminStateStructure (SilminState *pt) |
| | utility to print current state of silminState variable
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Protected Attributes |
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int | nphase |
| | number of available solid phases
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int * | phasedex |
| | indexing array to convert from phase number to SilminState index
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int | stateinit |
| | boolean to indicate whether calculation state is initialized
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SilminState * | silminState |
| | state variables for silmin. Contains lots of stuff.
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int | curThread |
| | current thread (this class instance)
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ThermoData * | liquidCur |
| | state variables for silmin. Contains lots of stuff.
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ThermoData * | solidsCur |
| | state variables for silmin. Contains lots of stuff.
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ThermoData * | oxygenCur |
| | state variables for silmin. Contains lots of stuff.
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Static Protected Attributes |
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static int | staticinit |
| | boolean to indicate if static variables have been allocated
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static int | threadCount |
| | number of active threads (instances of class)
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static const int | maxThreads = 25 |
| | maximum number of class instances (from MELTS library)
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| static int * | threadPool |
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static int | mutexLock |
| | variable to hold thread lock (boolean)
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Private Attributes |
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double * | mSol |
| | working space
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double * | mLiq |
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double * | r |
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double * | x |
c++ wrapper for Ghiorso's Melts code. Inherits all Melts constants etc. through silmin.h.
