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Added more information to the error diagnostics for setState_HP()

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functions.
This commit is contained in:
Harry Moffat 2008-01-30 17:33:22 +00:00
parent f97722ed22
commit d344208d26
1 changed files with 378 additions and 277 deletions
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655
Cantera/src/thermo/ThermoPhase.cpp
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@ -32,170 +32,170 @@ using namespace std;
namespace Cantera {
//! Constructor. Note that ThermoPhase is meant to be used as
//! a base class, so this constructor should not be called
//! explicitly.
ThermoPhase::ThermoPhase() :
Phase(),
m_spthermo(0), m_speciesData(0),
m_index(-1),
m_phi(0.0),
m_hasElementPotentials(false),
m_chargeNeutralityNecessary(false)
{
}
//! Constructor. Note that ThermoPhase is meant to be used as
//! a base class, so this constructor should not be called
//! explicitly.
ThermoPhase::ThermoPhase() :
Phase(),
m_spthermo(0), m_speciesData(0),
m_index(-1),
m_phi(0.0),
m_hasElementPotentials(false),
m_chargeNeutralityNecessary(false)
{
}
ThermoPhase::~ThermoPhase()
{
delete m_spthermo;
}
/**
* Copy Constructor for the ThermoPhase object.
*
* Currently, this is implemented, but not tested. If called it will
* throw an exception until fully tested.
ThermoPhase::~ThermoPhase()
{
delete m_spthermo;
}
/**
* Copy Constructor for the ThermoPhase object.
*
* Currently, this is implemented, but not tested. If called it will
* throw an exception until fully tested.
*/
ThermoPhase::ThermoPhase(const ThermoPhase &right) :
Phase(),
m_spthermo(0),
m_speciesData(0),
m_index(-1),
m_phi(0.0),
m_hasElementPotentials(false),
m_chargeNeutralityNecessary(false)
{
/*
* Call the assignment operator
*/
ThermoPhase::ThermoPhase(const ThermoPhase &right) :
Phase(),
m_spthermo(0),
m_speciesData(0),
m_index(-1),
m_phi(0.0),
m_hasElementPotentials(false),
m_chargeNeutralityNecessary(false)
{
/*
* Call the assignment operator
*/
*this = operator=(right);
}
*this = operator=(right);
}
/*
* operator=()
*
* Note this stuff will not work until the underlying phase
* has a working assignment operator
*/
ThermoPhase& ThermoPhase::
operator=(const ThermoPhase &right) {
/*
* operator=()
*
* Note this stuff will not work until the underlying phase
* has a working assignment operator
* Check for self assignment.
*/
ThermoPhase& ThermoPhase::
operator=(const ThermoPhase &right) {
/*
* Check for self assignment.
*/
if (this == &right) return *this;
/*
* Call the base class assignment operator
*/
(void)Phase::operator=(right);
if (this == &right) return *this;
/*
* Call the base class assignment operator
*/
(void)Phase::operator=(right);
/*
* Pointer to the species thermodynamic property manager
* We own this, so we need to do a deep copy
*/
if (m_spthermo) {
delete m_spthermo;
}
m_spthermo = (right.m_spthermo)->duplMyselfAsSpeciesThermo();
/*
* Pointer to the species thermodynamic property manager
* We own this, so we need to do a deep copy
*/
if (m_spthermo) {
delete m_spthermo;
}
m_spthermo = (right.m_spthermo)->duplMyselfAsSpeciesThermo();
// We don't do a deep copy here, because we don't own this
m_speciesData = right.m_speciesData;
// We don't do a deep copy here, because we don't own this
m_speciesData = right.m_speciesData;
m_index = right.m_index;
m_phi = right.m_phi;
m_lambdaRRT = right.m_lambdaRRT;
m_hasElementPotentials = right.m_hasElementPotentials;
m_chargeNeutralityNecessary = right.m_chargeNeutralityNecessary;
m_index = right.m_index;
m_phi = right.m_phi;
m_lambdaRRT = right.m_lambdaRRT;
m_hasElementPotentials = right.m_hasElementPotentials;
m_chargeNeutralityNecessary = right.m_chargeNeutralityNecessary;
return *this;
return *this;
}
/*
* Duplication routine for objects which inherit from
* ThermoPhase.
*
* This virtual routine can be used to duplicate thermophase objects
* inherited from ThermoPhase even if the application only has
* a pointer to ThermoPhase to work with.
*
* Currently, this is not fully implemented. If called, an
* exception will be called by the ThermoPhase copy constructor.
*/
ThermoPhase *ThermoPhase::duplMyselfAsThermoPhase() const {
ThermoPhase* tp = new ThermoPhase(*this);
return tp;
}
int ThermoPhase::activityConvention() const {
return cAC_CONVENTION_MOLAR;
}
void ThermoPhase::getActivities(doublereal* a) const {
getActivityConcentrations(a);
int nsp = nSpecies();
int k;
for (k = 0; k < nsp; k++) a[k] /= standardConcentration(k);
}
void ThermoPhase::setState_TPX(doublereal t, doublereal p,
const doublereal* x) {
setMoleFractions(x); setTemperature(t); setPressure(p);
}
void ThermoPhase::setState_TPX(doublereal t, doublereal p,
compositionMap& x) {
setMoleFractionsByName(x); setTemperature(t); setPressure(p);
}
void ThermoPhase::setState_TPX(doublereal t, doublereal p,
const std::string& x) {
compositionMap xx;
int kk = nSpecies();
for (int k = 0; k < kk; k++) xx[speciesName(k)] = -1.0;
try {
parseCompString(x, xx);
}
/*
* Duplication routine for objects which inherit from
* ThermoPhase.
*
* This virtual routine can be used to duplicate thermophase objects
* inherited from ThermoPhase even if the application only has
* a pointer to ThermoPhase to work with.
*
* Currently, this is not fully implemented. If called, an
* exception will be called by the ThermoPhase copy constructor.
*/
ThermoPhase *ThermoPhase::duplMyselfAsThermoPhase() const {
ThermoPhase* tp = new ThermoPhase(*this);
return tp;
catch (CanteraError) {
throw CanteraError("setState_TPX",
"Unknown species in composition map: "+ x);
}
setMoleFractionsByName(xx); setTemperature(t); setPressure(p);
}
int ThermoPhase::activityConvention() const {
return cAC_CONVENTION_MOLAR;
}
void ThermoPhase::setState_TPY(doublereal t, doublereal p,
const doublereal* y) {
setMassFractions(y); setTemperature(t); setPressure(p);
}
void ThermoPhase::getActivities(doublereal* a) const {
getActivityConcentrations(a);
int nsp = nSpecies();
int k;
for (k = 0; k < nsp; k++) a[k] /= standardConcentration(k);
}
void ThermoPhase::setState_TPX(doublereal t, doublereal p,
const doublereal* x) {
setMoleFractions(x); setTemperature(t); setPressure(p);
}
void ThermoPhase::setState_TPX(doublereal t, doublereal p,
compositionMap& x) {
setMoleFractionsByName(x); setTemperature(t); setPressure(p);
}
void ThermoPhase::setState_TPX(doublereal t, doublereal p,
const std::string& x) {
compositionMap xx;
int kk = nSpecies();
for (int k = 0; k < kk; k++) xx[speciesName(k)] = -1.0;
try {
parseCompString(x, xx);
}
catch (CanteraError) {
throw CanteraError("setState_TPX",
"Unknown species in composition map: "+ x);
}
setMoleFractionsByName(xx); setTemperature(t); setPressure(p);
}
void ThermoPhase::setState_TPY(doublereal t, doublereal p,
const doublereal* y) {
setMassFractions(y); setTemperature(t); setPressure(p);
}
void ThermoPhase::setState_TPY(doublereal t, doublereal p,
compositionMap& y) {
setMassFractionsByName(y); setTemperature(t); setPressure(p);
}
void ThermoPhase::setState_TPY(doublereal t, doublereal p,
compositionMap& y) {
setMassFractionsByName(y); setTemperature(t); setPressure(p);
}
void ThermoPhase::setState_TPY(doublereal t, doublereal p,
const std::string& y) {
compositionMap yy;
int kk = nSpecies();
for (int k = 0; k < kk; k++) yy[speciesName(k)] = -1.0;
try {
parseCompString(y, yy);
}
catch (CanteraError) {
throw CanteraError("setState_TPY",
"Unknown species in composition map: "+ y);
}
setMassFractionsByName(yy); setTemperature(t); setPressure(p);
void ThermoPhase::setState_TPY(doublereal t, doublereal p,
const std::string& y) {
compositionMap yy;
int kk = nSpecies();
for (int k = 0; k < kk; k++) yy[speciesName(k)] = -1.0;
try {
parseCompString(y, yy);
}
catch (CanteraError) {
throw CanteraError("setState_TPY",
"Unknown species in composition map: "+ y);
}
setMassFractionsByName(yy); setTemperature(t); setPressure(p);
}
void ThermoPhase::setState_TP(doublereal t, doublereal p) {
setTemperature(t); setPressure(p);
}
void ThermoPhase::setState_TP(doublereal t, doublereal p) {
setTemperature(t); setPressure(p);
}
void ThermoPhase::setState_PX(doublereal p, doublereal* x) {
setMoleFractions(x); setPressure(p);
}
void ThermoPhase::setState_PX(doublereal p, doublereal* x) {
setMoleFractions(x); setPressure(p);
}
void ThermoPhase::setState_PY(doublereal p, doublereal* y) {
setMassFractions(y); setPressure(p);
}
void ThermoPhase::setState_PY(doublereal p, doublereal* y) {
setMassFractions(y); setPressure(p);
}
void ThermoPhase::setState_HP(doublereal Htarget, doublereal p,
doublereal dTtol) {
@ -207,15 +207,35 @@ namespace Cantera {
setState_HPorUV(u, v, dTtol, true);
}
// Do the convergence work
/*
* We assume here that H at constant P is a monotonically increasing
* function of T.
* We assume here that U at constant V is a monotonically increasing
* function of T.
*
* Note, the value of dTtol may become important for some applications
* where numerical jacobians are being calculated.
*/
void ThermoPhase::setState_HPorUV(doublereal Htarget, doublereal p,
doublereal dTtol, bool doUV) {
doublereal dt;
doublereal Hmax = 0.0, Hmin = 0.0;;
doublereal v = 0.0;
// Assign the specific volume or pressure and make sure it's positive
if (doUV) {
v = p;
if (v < 1.0E-300) {
throw CanteraError("setState_HPorUV (UV)",
"Input specific volume is too small or negative. v = " + fp2str(v));
}
setDensity(1.0/v);
} else {
if (p < 1.0E-300) {
throw CanteraError("setState_HPorUV (HP)",
"Input pressure is too small or negative. p = " + fp2str(p));
}
setPressure(p);
}
double Tmax = maxTemp() + 0.1;
@ -224,6 +244,7 @@ namespace Cantera {
// Make sure we are within the temperature bounds at the start
// of the iteration
double Tnew = temperature();
double Tinit = Tnew;
if (Tnew > Tmax) {
Tnew = Tmax - 1.0;
if (doUV) {
@ -262,6 +283,9 @@ namespace Cantera {
// cp < 0.0. These are possible for cases where
// we have passed the spinodal curve.
bool unstablePhase = false;
// Counter indicating the last temperature point where the
// phase was unstable
double Tunstable = -1.0;
bool unstablePhaseNew = false;
@ -272,10 +296,11 @@ namespace Cantera {
double cpd = Cpnew;
if (cpd < 0.0) {
unstablePhase = true;
Tunstable = Tnew;
}
dt = (Htarget - Hold)/cpd;
// limit step size to 210 K
// limit step size to 100 K
if (dt > 100.0) dt = 100.0;
else if (dt < -100.0) dt = -100.0;
@ -376,6 +401,7 @@ namespace Cantera {
}
if (Cpnew < 0.0) {
unstablePhaseNew = true;
Tunstable = Tnew;
} else {
break;
unstablePhaseNew = false;
@ -411,8 +437,38 @@ namespace Cantera {
if (fabs(dt) < dTtol) {
return;
}
}
// We are here when there hasn't been convergence
/*
* Formulate a detailed error message, since questions seem to
* arise often about the lack of convergence.
*/
string ErrString = "No convergence in 500 iterations\n";
if (doUV) {
ErrString += "\tTarget Internal Energy = " + fp2str(Htarget) + "\n";
ErrString += "\tCurrent Specific Volume = " + fp2str(v) + "\n";
ErrString += "\tStarting Temperature = " + fp2str(Tinit) + "\n";
ErrString += "\tCurrent Temperature = " + fp2str(Tnew) + "\n";
ErrString += "\tCurrent Internal Energy = " + fp2str(Hnew) + "\n";
ErrString += "\tCurrent Delta T = " + fp2str(dt) + "\n";
} else {
ErrString += "\tTarget Enthalpy = " + fp2str(Htarget) + "\n";
ErrString += "\tCurrent Pressure = " + fp2str(p) + "\n";
ErrString += "\tStarting Temperature = " + fp2str(Tinit) + "\n";
ErrString += "\tCurrent Temperature = " + fp2str(Tnew) + "\n";
ErrString += "\tCurrent Enthalpy = " + fp2str(Hnew) + "\n";
ErrString += "\tCurrent Delta T = " + fp2str(dt) + "\n";
}
if (unstablePhase) {
ErrString += "\t - The phase became unstable (Cp < 0) T_unstable_last = "
+ fp2str(Tunstable) + "\n";
}
if (doUV) {
throw CanteraError("setState_HPorUV (UV)", ErrString);
} else {
throw CanteraError("setState_HPorUV (HP)", ErrString);
}
throw CanteraError("setState_HPorUV","No convergence. dt = " + fp2str(dt));
}
void ThermoPhase::setState_SP(doublereal Starget, doublereal p,
@ -425,14 +481,32 @@ namespace Cantera {
setState_SPorSV(Starget, v, dTtol, true);
}
// Do the convergence work for fixed entropy situations
/*
* We assume here that S at constant P is a monotonically increasing
* function of T.
* We assume here that S at constant V is a monotonically increasing
* function of T.
*
* Note, the value of dTtol may become important for some applications
* where numerical jacobians are being calculated.
*/
void ThermoPhase::setState_SPorSV(doublereal Starget, doublereal p,
doublereal dTtol, bool doSV) {
doublereal v = 0.0;
doublereal dt;
if (doSV) {
v = p;
if (v < 1.0E-300) {
throw CanteraError("setState_SPorSV (SV)",
"Input specific volume is too small or negative. v = " + fp2str(v));
}
setDensity(1.0/v);
} else {
if (p < 1.0E-300) {
throw CanteraError("setState_SPorSV (SP)",
"Input pressure is too small or negative. p = " + fp2str(p));
}
setPressure(p);
}
double Tmax = maxTemp() + 0.1;
@ -441,6 +515,7 @@ namespace Cantera {
// Make sure we are within the temperature bounds at the start
// of the iteration
double Tnew = temperature();
double Tinit = Tnew;
if (Tnew > Tmax) {
Tnew = Tmax - 1.0;
if (doSV) {
@ -475,9 +550,10 @@ namespace Cantera {
bool ignoreBounds = false;
// Unstable phases are those for which
// cp < 0.0. These are possible for cases where
// Cp < 0.0. These are possible for cases where
// we have passed the spinodal curve.
bool unstablePhase = false;
double Tunstable = -1.0;
bool unstablePhaseNew = false;
@ -488,6 +564,7 @@ namespace Cantera {
double cpd = Cpnew;
if (cpd < 0.0) {
unstablePhase = true;
Tunstable = Tnew;
}
dt = (Starget - Sold)*Told/cpd;
@ -501,7 +578,7 @@ namespace Cantera {
if (Stop > Starget) {
if (Tnew > Ttop) {
dt = 0.75 * (Ttop - Told);
Tnew = Told + dt;
Tnew = Told + dt;
}
}
} else {
@ -584,6 +661,7 @@ namespace Cantera {
Snew = entropy_mass();
if (Cpnew < 0.0) {
unstablePhaseNew = true;
Tunstable = Tnew;
} else {
break;
unstablePhaseNew = false;
@ -620,7 +698,36 @@ namespace Cantera {
return;
}
}
throw CanteraError("setState_SPorSV","No convergence. dt = " + fp2str(dt));
// We are here when there hasn't been convergence
/*
* Formulate a detailed error message, since questions seem to
* arise often about the lack of convergence.
*/
string ErrString = "No convergence in 500 iterations\n";
if (doSV) {
ErrString += "\tTarget Entropy = " + fp2str(Starget) + "\n";
ErrString += "\tCurrent Specific Volume = " + fp2str(v) + "\n";
ErrString += "\tStarting Temperature = " + fp2str(Tinit) + "\n";
ErrString += "\tCurrent Temperature = " + fp2str(Tnew) + "\n";
ErrString += "\tCurrent Entropy = " + fp2str(Snew) + "\n";
ErrString += "\tCurrent Delta T = " + fp2str(dt) + "\n";
} else {
ErrString += "\tTarget Entropy = " + fp2str(Starget) + "\n";
ErrString += "\tCurrent Pressure = " + fp2str(p) + "\n";
ErrString += "\tStarting Temperature = " + fp2str(Tinit) + "\n";
ErrString += "\tCurrent Temperature = " + fp2str(Tnew) + "\n";
ErrString += "\tCurrent Entropy = " + fp2str(Snew) + "\n";
ErrString += "\tCurrent Delta T = " + fp2str(dt) + "\n";
}
if (unstablePhase) {
ErrString += "\t - The phase became unstable (Cp < 0) T_unstable_last = "
+ fp2str(Tunstable) + "\n";
}
if (doSV) {
throw CanteraError("setState_SPorSV (SV)", ErrString);
} else {
throw CanteraError("setState_SPorSV (SP)", ErrString);
}
}
doublereal ThermoPhase::err(std::string msg) const {
@ -661,142 +768,140 @@ namespace Cantera {
if (i == 0) uA[0] = 1.0;
if (i == 1) uA[1] = -nDim();
if (i == 2) uA[2] = 0.0;
if (i == 3) uA[3] = 0.0;
if (i == 4) uA[4] = 0.0;
if (i == 5) uA[5] = 0.0;
if (i == 3) uA[3] = 0.0;
if (i == 4) uA[4] = 0.0;
if (i == 5) uA[5] = 0.0;
}
}
/*
* initThermoFile():
*
* Initialization of a phase using an xml file.
*
* This routine is a precursor to initThermoXML(XML_Node*)
* routine, which does most of the work.
*
* @param infile XML file containing the description of the
* phase
*
* @param id Optional parameter identifying the name of the
* phase. If none is given, the first XML
* phase element will be used.
*/
void ThermoPhase::initThermoFile(std::string inputFile, std::string id) {
/*
* initThermoFile():
*
* Initialization of a phase using an xml file.
*
* This routine is a precursor to initThermoXML(XML_Node*)
* routine, which does most of the work.
*
* @param infile XML file containing the description of the
* phase
*
* @param id Optional parameter identifying the name of the
* phase. If none is given, the first XML
* phase element will be used.
*/
void ThermoPhase::initThermoFile(std::string inputFile, std::string id) {
if (inputFile.size() == 0) {
throw CanteraError("ThermoPhase::initThermoFile",
"input file is null");
}
string path = findInputFile(inputFile);
ifstream fin(path.c_str());
if (!fin) {
throw CanteraError("initThermoFile","could not open "
+path+" for reading.");
}
/*
* The phase object automatically constructs an XML object.
* Use this object to store information.
*/
XML_Node &phaseNode_XML = xml();
XML_Node *fxml = new XML_Node();
fxml->build(fin);
XML_Node *fxml_phase = findXMLPhase(fxml, id);
if (!fxml_phase) {
throw CanteraError("ThermoPhase::initThermo",
"ERROR: Can not find phase named " +
id + " in file named " + inputFile);
}
fxml_phase->copy(&phaseNode_XML);
initThermoXML(*fxml_phase, id);
delete fxml;
if (inputFile.size() == 0) {
throw CanteraError("ThermoPhase::initThermoFile",
"input file is null");
}
string path = findInputFile(inputFile);
ifstream fin(path.c_str());
if (!fin) {
throw CanteraError("initThermoFile","could not open "
+path+" for reading.");
}
/*
* Import and initialize a ThermoPhase object
*
* This function is called from importPhase()
* after the elements and the
* species are initialized with default ideal solution
* level data.
*
* @param phaseNode This object must be the phase node of a
* complete XML tree
* description of the phase, including all of the
* species data. In other words while "phase" must
* point to an XML phase object, it must have
* sibling nodes "speciesData" that describe
* the species in the phase.
* @param id ID of the phase. If nonnull, a check is done
* to see if phaseNode is pointing to the phase
* with the correct id.
* The phase object automatically constructs an XML object.
* Use this object to store information.
*/
void ThermoPhase::initThermoXML(XML_Node& phaseNode, std::string id) {
/*
* The default implementation just calls initThermo(), which
* inheriting classes may override.
*/
initThermo();
/*
* and sets the state
*/
if (phaseNode.hasChild("state")) {
XML_Node& stateNode = phaseNode.child("state");
setStateFromXML(stateNode);
}
XML_Node &phaseNode_XML = xml();
XML_Node *fxml = new XML_Node();
fxml->build(fin);
XML_Node *fxml_phase = findXMLPhase(fxml, id);
if (!fxml_phase) {
throw CanteraError("ThermoPhase::initThermo",
"ERROR: Can not find phase named " +
id + " in file named " + inputFile);
}
fxml_phase->copy(&phaseNode_XML);
initThermoXML(*fxml_phase, id);
delete fxml;
}
/*
* Import and initialize a ThermoPhase object
*
* This function is called from importPhase()
* after the elements and the
* species are initialized with default ideal solution
* level data.
*
* @param phaseNode This object must be the phase node of a
* complete XML tree
* description of the phase, including all of the
* species data. In other words while "phase" must
* point to an XML phase object, it must have
* sibling nodes "speciesData" that describe
* the species in the phase.
* @param id ID of the phase. If nonnull, a check is done
* to see if phaseNode is pointing to the phase
* with the correct id.
*/
void ThermoPhase::initThermoXML(XML_Node& phaseNode, std::string id) {
/*
* The default implementation just calls initThermo(), which
* inheriting classes may override.
*/
initThermo();
/*
* and sets the state
*/
if (phaseNode.hasChild("state")) {
XML_Node& stateNode = phaseNode.child("state");
setStateFromXML(stateNode);
}
}
/*
* Initialize.
*
* This method is provided to allow
* subclasses to perform any initialization required after all
* species have been added. For example, it might be used to
* resize internal work arrays that must have an entry for
* each species. The base class implementation does nothing,
* and subclasses that do not require initialization do not
* need to overload this method. When importing a CTML phase
* description, this method is called just prior to returning
* from function importPhase.
*
* @see importCTML.cpp
*/
void ThermoPhase::initThermo() {
// Check to see that there is at least one species defined in the phase
if (m_kk <= 0) {
throw CanteraError("ThermoPhase::initThermo()",
"Number of species is less than or equal to zero");
}
/*
* Initialize.
*
* This method is provided to allow
* subclasses to perform any initialization required after all
* species have been added. For example, it might be used to
* resize internal work arrays that must have an entry for
* each species. The base class implementation does nothing,
* and subclasses that do not require initialization do not
* need to overload this method. When importing a CTML phase
* description, this method is called just prior to returning
* from function importPhase.
*
* @see importCTML.cpp
*/
void ThermoPhase::initThermo() {
// Check to see that there is at least one species defined in the phase
if (m_kk <= 0) {
throw CanteraError("ThermoPhase::initThermo()",
"Number of species is less than or equal to zero");
}
}
/**
/*
* Set the thermodynamic state.
*/
void ThermoPhase::setStateFromXML(const XML_Node& state) {
void ThermoPhase::setStateFromXML(const XML_Node& state) {
string comp = getString(state,"moleFractions");
string comp = getString(state,"moleFractions");
if (comp != "")
setMoleFractionsByName(comp);
else {
comp = getString(state,"massFractions");
if (comp != "")
setMoleFractionsByName(comp);
else {
comp = getString(state,"massFractions");
if (comp != "")
setMassFractionsByName(comp);
}
if (state.hasChild("temperature")) {
double t = getFloat(state, "temperature", "temperature");
setTemperature(t);
}
if (state.hasChild("pressure")) {
double p = getFloat(state, "pressure", "pressure");
setPressure(p);
}
if (state.hasChild("density")) {
double rho = getFloat(state, "density", "density");
setDensity(rho);
}
setMassFractionsByName(comp);
}
if (state.hasChild("temperature")) {
double t = getFloat(state, "temperature", "temperature");
setTemperature(t);
}
if (state.hasChild("pressure")) {
double p = getFloat(state, "pressure", "pressure");
setPressure(p);
}
if (state.hasChild("density")) {
double rho = getFloat(state, "density", "density");
setDensity(rho);
}
}
/*
* Called by function 'equilibrate' in ChemEquil.h to transfer
@ -829,7 +934,7 @@ namespace Cantera {
* @param lambda Vector containing the element potentials.
* Length = nElements. Units are Joules/kmol.
*/
bool ThermoPhase::getElementPotentials(doublereal* lambda) const {
bool ThermoPhase::getElementPotentials(doublereal* lambda) const {
doublereal rt = GasConstant* temperature();
int mm = nElements();
if (m_hasElementPotentials) {
@ -840,12 +945,10 @@ namespace Cantera {
return (m_hasElementPotentials);
}
/**
/*
* Format a summary of the mixture state for output.
*/
std::string ThermoPhase::report(bool show_thermo) const {
char p[800];
string s = "";
try {
@ -952,6 +1055,4 @@ namespace Cantera {
}
}