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Use std::min and std::max instead of homegrown alternatives

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This commit is contained in:
Ray Speth 2012-02-21 16:03:32 +00:00
parent 30d233474a
commit fe8a5d49a8
43 changed files with 101 additions and 164 deletions
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21
include/cantera/base/ct_defs.h
View file

@ -159,27 +159,6 @@ const doublereal Undef = -999.1234;
//! Small number to compare differences of mole fractions against.
const doublereal Tiny = 1.e-20;
//! inline function to return the max value of two doubles.
/*!
* @param x double value
* @param y second double value
*/
inline doublereal fmaxx(doublereal x, doublereal y)
{
return (x > y) ? x : y;
}
//! inline function to return the min value of two doubles.
/*!
* @param x double value
* @param y second double value
*/
inline doublereal fminn(doublereal x, doublereal y)
{
return (x < y) ? x : y;
}
//! Map connecting a string name with a double.
/*!
* This is used mostly to assign concentrations and mole fractions

42
include/cantera/base/utilities.h
View file

@ -51,48 +51,6 @@ template<class T> struct timesConstant : public std::unary_function<T, double> {
namespace Cantera
{
/*!
* @defgroup globalUtilFuncs Global Utility Functions
*
*/
//@{
//! Maximum of two templated quantities, i and j.
/*!
* If \a i and \a j have different types, \a j
* is converted to the type of \a i before the comparison.
*
* @param i first argument, instance of templated class T
* @param j Second argument, instance of templated class S
* @return
* This function returns the maximum of the two values
* as an instance of templated type T.
*/
template<class T, class S>
inline T max(T i, S j)
{
return (i > T(j) ? i : T(j));
}
//! Minimum of two templated quantities, i and j.
/*!
* If \a i and \a j have different types, \a j
* is converted to the type of \a i before the comparison.
*
* @param i first argument, instance of templated class T
* @param j Second argument, instance of templated class S
* @return
* This function returns the minimum of the two values
* as an instance of templated type T.
*/
template<class T, class S>
inline T min(T i, S j)
{
return (i < T(j) ? i : T(j));
}
//! Templated Inner product of two vectors of length 4.
/*!
* If either \a x

2
include/cantera/kinetics/RxnRates.h
View file

@ -265,7 +265,7 @@ public:
for (size_t n = 0; n < m_nmcov; n++) {
k = m_msp[n];
// changed n to k, dgg 1/22/04
th = fmaxx(theta[k], Tiny);
th = std::max(theta[k], Tiny);
// th = fmaxx(theta[n], Tiny);
m_mcov += m_mc[n]*log(th);
}

4
include/cantera/thermo/SpeciesThermoMgr.h
View file

@ -70,7 +70,7 @@ doublereal _minTemp(InputIter begin, InputIter end)
{
doublereal _minT = 0.0;
for (; begin != end; ++begin) {
_minT = fmaxx(_minT, begin->minTemp());
_minT = std::max(_minT, begin->minTemp());
}
return _minT;
}
@ -92,7 +92,7 @@ doublereal _maxTemp(_InputIter begin, _InputIter end)
{
doublereal _maxT = 1.e10;
for (; begin != end; ++begin) {
_maxT = fminn(_maxT, begin->maxTemp());
_maxT = std::min(_maxT, begin->maxTemp());
}
return _maxT;
}

8
samples/cxx/bvp/stagnation.cpp
View file

@ -617,13 +617,13 @@ void FreeFlame::eval(int jg, doublereal* xg,
jmin = 0;
jmax = m_points - 1;
} else { // evaluate points for Jacobian
jmin = max(jpt-1, 0);
jmax = min(jpt+1,m_points-1);
jmin = std::max(jpt-1, 0);
jmax = std::min(jpt+1,m_points-1);
}
// properties are computed for grid points from j0 to j1
int j0 = max(jmin-1,0);
int j1 = min(jmax+1,m_points-1);
int j0 = std::max(jmin-1,0);
int j1 = std::min(jmax+1,m_points-1);
int j, k;

2
src/clib/ctonedim.cpp
View file

@ -117,7 +117,7 @@ extern "C" {
{
try {
string nm = _domain(i)->componentName(n);
int lout = min(sz, nm.size());
size_t lout = std::min<size_t>(sz, nm.size());
copy(nm.c_str(), nm.c_str() + lout, buf);
buf[lout] = '\0';
return static_cast<int>(nm.size());

8
src/equil/ChemEquil.cpp
View file

@ -932,8 +932,8 @@ next:
for (m = 0; m < nvar; m++) {
newval = x[m] + res_trial[m];
if (newval > above[m]) {
fctr = fmaxx(0.0,
fminn(fctr,0.8*(above[m] - x[m])/(newval - x[m])));
fctr = std::max(0.0,
std::min(fctr,0.8*(above[m] - x[m])/(newval - x[m])));
} else if (newval < below[m]) {
if (m < m_mm && (m != m_skip)) {
res_trial[m] = -50;
@ -941,13 +941,13 @@ next:
res_trial[m] = below[m] - x[m];
}
} else {
fctr = fminn(fctr, 0.8*(x[m] - below[m])/(x[m] - newval));
fctr = std::min(fctr, 0.8*(x[m] - below[m])/(x[m] - newval));
}
}
// Delta Damping
if (m == mm) {
if (fabs(res_trial[mm]) > 0.2) {
fctr = fminn(fctr, 0.2/fabs(res_trial[mm]));
fctr = std::min(fctr, 0.2/fabs(res_trial[mm]));
}
}
}

2
src/equil/MultiPhaseEquil.cpp
View file

@ -631,7 +631,7 @@ void MultiPhaseEquil::step(doublereal omega, vector_fp& deltaN,
if (m_majorsp[k]) {
m_moles[k] += omega * deltaN[k];
} else {
m_moles[k] = fabs(m_moles[k])*fminn(10.0,
m_moles[k] = fabs(m_moles[k])*std::min(10.0,
exp(-m_deltaG_RT[ik - m_nel]));
}
}

10
src/fortran/fct.cpp
View file

@ -105,7 +105,7 @@ extern "C" {
{
try {
std::string pnm = _fph(n)->name();
int lout = min(lennm,pnm.size());
int lout = std::min(lennm, (int) pnm.size());
std::copy(pnm.c_str(), pnm.c_str() + lout, nm);
for (int nn = lout; nn < lennm; nn++) {
nm[nn] = ' ';
@ -273,7 +273,7 @@ extern "C" {
{
try {
std::string spnm = _fph(n)->speciesName(*k-1);
int lout = min(lennm,spnm.size());
int lout = std::min(lennm, (int) spnm.size());
std::copy(spnm.c_str(), spnm.c_str() + lout, nm);
for (int nn = lout; nn < lennm; nn++) {
nm[nn] = ' ';
@ -289,7 +289,7 @@ extern "C" {
{
try {
std::string elnm = _fph(n)->elementName(*m-1);
int lout = min(lennm,elnm.size());
int lout = std::min(lennm, (int) elnm.size());
std::copy(elnm.c_str(), elnm.c_str() + lout, nm);
for (int nn = lout; nn < lennm; nn++) {
nm[nn] = ' ';
@ -790,7 +790,7 @@ extern "C" {
try {
Kinetics* k = _fkin(n);
std::string r = k->reactionString(*i-1);
int lout = min(lenbuf,r.size());
int lout = std::min(lenbuf, (int) r.size());
std::copy(r.c_str(), r.c_str() + lout, buf);
for (int nn = lout; nn < lenbuf; nn++) {
buf[nn] = ' ';
@ -977,7 +977,7 @@ extern "C" {
std::string e; // = "<no error>";
//if (nErrors() > 0)
e = lastErrorMessage();
int n = min(e.size(), buflen-1);
int n = std::min((int) e.size(), buflen-1);
copy(e.begin(), e.begin() + n, buf);
for (int nn = n; nn < buflen; nn++) {
buf[nn] = ' ';

14
src/kinetics/FalloffFactory.cpp
View file

@ -112,7 +112,7 @@ public:
virtual void updateTemp(doublereal T, workPtr work) const {
doublereal Fcent = (1.0 - m_a) * exp(- T * m_rt3)
+ m_a * exp(- T * m_rt1);
*work = log10(fmaxx(Fcent, SmallNumber));
*work = log10(std::max(Fcent, SmallNumber));
}
//! Function that returns <I>F</I>
@ -122,7 +122,7 @@ public:
*/
virtual doublereal F(doublereal pr, const_workPtr work) const {
doublereal lpr,f1,lgf, cc, nn;
lpr = log10(fmaxx(pr,SmallNumber));
lpr = log10(std::max(pr,SmallNumber));
cc = -0.4 - 0.67 * (*work);
nn = 0.75 - 1.27 * (*work);
f1 = (lpr + cc)/ (nn - 0.14 * (lpr + cc));
@ -256,7 +256,7 @@ public:
doublereal Fcent = (1.0 - m_a) * exp(- T * m_rt3)
+ m_a * exp(- T * m_rt1)
+ exp(- m_t2 / T);
*work = log10(fmaxx(Fcent, SmallNumber));
*work = log10(std::max(Fcent, SmallNumber));
}
//! Function that returns <I>F</I>
@ -266,7 +266,7 @@ public:
*/
virtual doublereal F(doublereal pr, const_workPtr work) const {
doublereal lpr,f1,lgf, cc, nn;
lpr = log10(fmaxx(pr,SmallNumber));
lpr = log10(std::max(pr,SmallNumber));
cc = -0.4 - 0.67 * (*work);
nn = 0.75 - 1.27 * (*work);
f1 = (lpr + cc)/ (nn - 0.14 * (lpr + cc));
@ -377,7 +377,7 @@ public:
* @param work Pointer to the previously saved work space
*/
virtual doublereal F(doublereal pr, const_workPtr work) const {
doublereal lpr = log10(fmaxx(pr,SmallNumber));
doublereal lpr = log10(std::max(pr,SmallNumber));
doublereal xx = 1.0/(1.0 + lpr*lpr);
doublereal ff = pow(*work , xx);
return ff;
@ -489,7 +489,7 @@ public:
* @param work Pointer to the previously saved work space
*/
virtual doublereal F(doublereal pr, const_workPtr work) const {
doublereal lpr = log10(fmaxx(pr,SmallNumber));
doublereal lpr = log10(std::max(pr,SmallNumber));
doublereal xx = 1.0/(1.0 + lpr*lpr);
return pow(*work, xx) * work[1];
}
@ -630,7 +630,7 @@ public:
* @param work Pointer to the previously saved work space
*/
virtual doublereal F(doublereal pr, const_workPtr work) const {
doublereal lpr = log10(fmaxx(pr, SmallNumber));
doublereal lpr = log10(std::max(pr, SmallNumber));
doublereal x = (lpr - work[0])/work[1];
doublereal flog = work[2]/exp(x*x);
return pow(10.0, flog);

4
src/kinetics/ReactionPath.cpp
View file

@ -358,7 +358,7 @@ void ReactionPathDiagram::exportToDot(ostream& s)
s << "[fontname=\""+m_font+"\", style=\"setlinewidth("
<< lwidth << ")\"";
s << ", arrowsize="
<< min(6.0, 0.5*lwidth);
<< std::min(6.0, 0.5*lwidth);
} else {
s << ", style=\"setlinewidth("
<< arrow_width << ")\"";
@ -425,7 +425,7 @@ void ReactionPathDiagram::exportToDot(ostream& s)
<< lwidth
<< ")\"";
s << ", arrowsize="
<< min(6.0, 0.5*lwidth); // 1 - arrow_width*flxratio;
<< std::min(6.0, 0.5*lwidth); // 1 - arrow_width*flxratio;
} else {
s << ", style=\"setlinewidth("
<< arrow_width << ")\"";

4
src/kinetics/solveSP.cpp
View file

@ -775,7 +775,7 @@ void solveSP::resjac_eval(std::vector<doublereal*> &JacCol,
sd = m_ptrsSurfPhase[jsp]->siteDensity();
for (kCol = 0; kCol < nsp; kCol++) {
cSave = CSoln[kColIndex];
dc = fmaxx(1.0E-10 * sd, fabs(cSave) * 1.0E-7);
dc = std::max(1.0E-10 * sd, fabs(cSave) * 1.0E-7);
CSoln[kColIndex] += dc;
fun_eval(DATA_PTR(m_numEqn2), CSoln, CSolnOld, do_time, deltaT);
col_j = JacCol[kColIndex];
@ -793,7 +793,7 @@ void solveSP::resjac_eval(std::vector<doublereal*> &JacCol,
sd = m_bulkPhasePtrs[jsp]->molarDensity();
for (kCol = 0; kCol < nsp; kCol++) {
cSave = CSoln[kColIndex];
dc = fmaxx(1.0E-10 * sd, fabs(cSave) * 1.0E-7);
dc = std::max(1.0E-10 * sd, fabs(cSave) * 1.0E-7);
CSoln[kColIndex] += dc;
fun_eval(DATA_PTR(m_numEqn2), CSoln, CSolnOld, do_time, deltaT);
col_j = JacCol[kColIndex];

4
src/numerics/DenseMatrix.cpp
View file

@ -33,7 +33,7 @@ DenseMatrix::DenseMatrix(size_t n, size_t m, doublereal v) :
m_useReturnErrorCode(0),
m_printLevel(0)
{
m_ipiv.resize(max(n, m));
m_ipiv.resize(std::max(n, m));
m_colPts.resize(m);
for (size_t j = 0; j < m; j++) {
m_colPts[j] = &(m_data[m_nrows*j]);
@ -82,7 +82,7 @@ DenseMatrix::~DenseMatrix()
void DenseMatrix::resize(size_t n, size_t m, doublereal v)
{
Array2D::resize(n,m,v);
m_ipiv.resize(max(n,m));
m_ipiv.resize(std::max(n,m));
m_colPts.resize(m_ncols);
for (size_t j = 0; j < m_ncols; j++) {
m_colPts[j] = &(m_data[m_nrows*j]);

2
src/numerics/ResidJacEval.cpp
View file

@ -197,7 +197,7 @@ calcDeltaSolnVariables(const doublereal t, const doublereal* const ySoln,
}
} else {
for (int i = 0; i < neq_; i++) {
deltaYSoln[i] = fmaxx(1.0E-2 * solnWeights[i], 1.0E-6 * fabs(ySoln[i]));
deltaYSoln[i] = std::max(1.0E-2 * solnWeights[i], 1.0E-6 * fabs(ySoln[i]));
}
}
return 1;

2
src/numerics/solveProb.cpp
View file

@ -461,7 +461,7 @@ void solveProb::resjac_eval(std::vector<doublereal*> &JacCol,
if (sd < 1.0E-200) {
sd = 1.0E-4;
}
dc = fmaxx(1.0E-11 * sd, fabs(cSave) * 1.0E-6);
dc = std::max(1.0E-11 * sd, fabs(cSave) * 1.0E-6);
CSoln[kCol] += dc;
fun_eval(DATA_PTR(m_numEqn2), CSoln, CSolnOld, do_time, deltaT);
col_j = JacCol[kCol];

2
src/oneD/MultiNewton.cpp
View file

@ -175,7 +175,7 @@ doublereal MultiNewton::boundStep(const doublereal* x0,
{
doublereal fbound = 1.0;
for (size_t i = 0; i < r.nDomains(); i++) {
fbound = fminn(fbound,
fbound = std::min(fbound,
bound_step(x0 + r.start(i), step0 + r.start(i),
r.domain(i), loglevel));
}

2
src/oneD/OneDim.cpp
View file

@ -316,7 +316,7 @@ doublereal OneDim::ssnorm(doublereal* x, doublereal* r)
eval(-1, x, r, 0.0, 0);
doublereal ss = 0.0;
for (size_t i = 0; i < m_size; i++) {
ss = fmaxx(fabs(r[i]),ss);
ss = std::max(fabs(r[i]),ss);
}
return ss;
}

16
src/oneD/StFlow.cpp
View file

@ -366,13 +366,13 @@ void AxiStagnFlow::eval(size_t jg, doublereal* xg,
jmin = 0;
jmax = m_points - 1;
} else { // evaluate points for Jacobian
jmin = max(jpt-1, 0);
jmax = min(jpt+1,m_points-1);
jmin = std::max<size_t>(jpt-1, 0);
jmax = std::min(jpt+1,m_points-1);
}
// properties are computed for grid points from j0 to j1
size_t j0 = max(jmin-1,0);
size_t j1 = min(jmax+1,m_points-1);
size_t j0 = std::max<size_t>(jmin-1,0);
size_t j1 = std::min(jmax+1,m_points-1);
size_t j, k;
@ -674,13 +674,13 @@ void FreeFlame::eval(size_t jg, doublereal* xg,
jmin = 0;
jmax = m_points - 1;
} else { // evaluate points for Jacobian
jmin = max(jpt-1, 0);
jmax = min(jpt+1,m_points-1);
jmin = std::max<size_t>(jpt-1, 0);
jmax = std::min(jpt+1,m_points-1);
}
// properties are computed for grid points from j0 to j1
size_t j0 = max(jmin-1,0);
size_t j1 = min(jmax+1,m_points-1);
size_t j0 = std::max<size_t>(jmin-1,0);
size_t j1 = std::min(jmax+1,m_points-1);
size_t j, k;

6
src/oneD/newton_utils.cpp
View file

@ -55,10 +55,10 @@ doublereal bound_step(const doublereal* x, const doublereal* step,
newval = val + step[index(m,j)];
if (newval > above) {
fbound = fmaxx(0.0, fminn(fbound,
(above - val)/(newval - val)));
fbound = std::max(0.0, std::min(fbound,
(above - val)/(newval - val)));
} else if (newval < below) {
fbound = fminn(fbound, (val - below)/(val - newval));
fbound = std::min(fbound, (val - below)/(val - newval));
}
if (loglevel > 1 && (newval > above || newval < below)) {

4
src/oneD/refine.cpp
View file

@ -109,8 +109,8 @@ int Refiner::analyze(size_t n, const doublereal* z,
smax = *max_element(s.begin(), s.end());
// max absolute values of v and s
aa = fmaxx(fabs(vmax), fabs(vmin));
ss = fmaxx(fabs(smax), fabs(smin));
aa = std::max(fabs(vmax), fabs(vmin));
ss = std::max(fabs(smax), fabs(smin));
// refine based on component i only if the range of v is
// greater than a fraction 'min_range' of max |v|. This

2
src/thermo/ConstDensityThermo.cpp
View file

@ -140,7 +140,7 @@ void ConstDensityThermo::getChemPotentials(doublereal* mu) const
doublereal rt = temperature() * GasConstant;
const array_fp& g_RT = gibbs_RT();
for (size_t k = 0; k < m_kk; k++) {
xx = fmaxx(SmallNumber, moleFraction(k));
xx = std::max(SmallNumber, moleFraction(k));
mu[k] = rt*(g_RT[k] + log(xx)) + vdp;
}
}

4
src/thermo/DebyeHuckel.cpp
View file

@ -784,12 +784,12 @@ getPartialMolarEntropies(doublereal* sbar) const
doublereal mm;
for (size_t k = 0; k < m_kk; k++) {
if (k != m_indexSolvent) {
mm = fmaxx(SmallNumber, m_molalities[k]);
mm = std::max(SmallNumber, m_molalities[k]);
sbar[k] -= R * (log(mm) + m_lnActCoeffMolal[k]);
}
}
double xmolSolvent = moleFraction(m_indexSolvent);
mm = fmaxx(SmallNumber, xmolSolvent);
mm = std::max(SmallNumber, xmolSolvent);
sbar[m_indexSolvent] -= R *(log(mm) + m_lnActCoeffMolal[m_indexSolvent]);
/*
* Check to see whether activity coefficients are temperature

4
src/thermo/HMWSoln.cpp
View file

@ -1239,12 +1239,12 @@ getPartialMolarEntropies(doublereal* sbar) const
doublereal mm;
for (size_t k = 0; k < m_kk; k++) {
if (k != m_indexSolvent) {
mm = fmaxx(SmallNumber, m_molalities[k]);
mm = std::max(SmallNumber, m_molalities[k]);
sbar[k] -= R * (log(mm) + m_lnActCoeffMolal_Scaled[k]);
}
}
double xmolSolvent = moleFraction(m_indexSolvent);
mm = fmaxx(SmallNumber, xmolSolvent);
mm = std::max(SmallNumber, xmolSolvent);
sbar[m_indexSolvent] -= R *(log(mm) + m_lnActCoeffMolal_Scaled[m_indexSolvent]);
/*
* Check to see whether activity coefficients are temperature

4
src/thermo/IdealGasPhase.cpp
View file

@ -216,7 +216,7 @@ void IdealGasPhase::getChemPotentials(doublereal* mu) const
doublereal rt = temperature() * GasConstant;
//const array_fp& g_RT = gibbs_RT_ref();
for (size_t k = 0; k < m_kk; k++) {
xx = fmaxx(SmallNumber, moleFraction(k));
xx = std::max(SmallNumber, moleFraction(k));
mu[k] += rt*(log(xx));
}
}
@ -243,7 +243,7 @@ void IdealGasPhase::getPartialMolarEntropies(doublereal* sbar) const
scale(_s.begin(), _s.end(), sbar, r);
doublereal logp = log(pressure()/m_spthermo->refPressure());
for (size_t k = 0; k < m_kk; k++) {
doublereal xx = fmaxx(SmallNumber, moleFraction(k));
doublereal xx = std::max(SmallNumber, moleFraction(k));
sbar[k] += r * (- logp - log(xx));
}
}

14
src/thermo/IdealMolalSoln.cpp
View file

@ -537,7 +537,7 @@ void IdealMolalSoln::getActivities(doublereal* ac) const
ac[k] = m_molalities[k];
}
double xmolSolvent = moleFraction(m_indexSolvent);
xmolSolvent = fmaxx(m_xmolSolventMIN, xmolSolvent);
xmolSolvent = std::max(m_xmolSolventMIN, xmolSolvent);
ac[m_indexSolvent] =
exp((xmolSolvent - 1.0)/xmolSolvent);
} else {
@ -575,7 +575,7 @@ getMolalityActivityCoefficients(doublereal* acMolality) const
acMolality[k] = 1.0;
}
double xmolSolvent = moleFraction(m_indexSolvent);
xmolSolvent = fmaxx(m_xmolSolventMIN, xmolSolvent);
xmolSolvent = std::max(m_xmolSolventMIN, xmolSolvent);
acMolality[m_indexSolvent] =
exp((xmolSolvent - 1.0)/xmolSolvent) / xmolSolvent;
} else {
@ -641,7 +641,7 @@ void IdealMolalSoln::getChemPotentials(doublereal* mu) const
if (IMS_typeCutoff_ == 0 || xmolSolvent > 3.* IMS_X_o_cutoff_/2.0) {
for (size_t k = 1; k < m_kk; k++) {
xx = fmaxx(m_molalities[k], xxSmall);
xx = std::max(m_molalities[k], xxSmall);
mu[k] += RT * log(xx);
}
/*
@ -649,7 +649,7 @@ void IdealMolalSoln::getChemPotentials(doublereal* mu) const
* -> see my notes
*/
xx = fmaxx(xmolSolvent, xxSmall);
xx = std::max(xmolSolvent, xxSmall);
mu[m_indexSolvent] +=
(RT * (xmolSolvent - 1.0) / xx);
} else {
@ -721,7 +721,7 @@ void IdealMolalSoln::getPartialMolarEntropies(doublereal* sbar) const
if (IMS_typeCutoff_ == 0) {
for (size_t k = 0; k < m_kk; k++) {
if (k != m_indexSolvent) {
mm = fmaxx(SmallNumber, m_molalities[k]);
mm = std::max(SmallNumber, m_molalities[k]);
sbar[k] -= R * log(mm);
}
}
@ -740,12 +740,12 @@ void IdealMolalSoln::getPartialMolarEntropies(doublereal* sbar) const
doublereal mm;
for (size_t k = 0; k < m_kk; k++) {
if (k != m_indexSolvent) {
mm = fmaxx(SmallNumber, m_molalities[k]);
mm = std::max(SmallNumber, m_molalities[k]);
sbar[k] -= R * (log(mm) + IMS_lnActCoeffMolal_[k]);
}
}
double xmolSolvent = moleFraction(m_indexSolvent);
mm = fmaxx(SmallNumber, xmolSolvent);
mm = std::max(SmallNumber, xmolSolvent);
sbar[m_indexSolvent] -= R *(log(mm) + IMS_lnActCoeffMolal_[m_indexSolvent]);
}

6
src/thermo/IdealSolidSolnPhase.cpp
View file

@ -658,7 +658,7 @@ getChemPotentials(doublereal* mu) const
doublereal RT = temperature() * GasConstant;
const array_fp& g_RT = gibbs_RT_ref();
for (size_t k = 0; k < m_kk; k++) {
xx = fmaxx(SmallNumber, moleFraction(k));
xx = std::max(SmallNumber, moleFraction(k));
mu[k] = RT * (g_RT[k] + log(xx))
+ delta_p * m_speciesMolarVolume[k];
}
@ -689,7 +689,7 @@ getChemPotentials_RT(doublereal* mu) const
doublereal xx;
const array_fp& g_RT = gibbs_RT_ref();
for (size_t k = 0; k < m_kk; k++) {
xx = fmaxx(SmallNumber, moleFraction(k));
xx = std::max(SmallNumber, moleFraction(k));
mu[k] = (g_RT[k] + log(xx))
+ delta_pdRT * m_speciesMolarVolume[k];
}
@ -745,7 +745,7 @@ getPartialMolarEntropies(doublereal* sbar) const
doublereal r = GasConstant;
doublereal xx;
for (size_t k = 0; k < m_kk; k++) {
xx = fmaxx(SmallNumber, moleFraction(k));
xx = std::max(SmallNumber, moleFraction(k));
sbar[k] = r * (_s[k] - log(xx));
}
}

4
src/thermo/IdealSolnGasVPSS.cpp
View file

@ -367,7 +367,7 @@ void IdealSolnGasVPSS::getChemPotentials(doublereal* mu) const
doublereal xx;
doublereal rt = temperature() * GasConstant;
for (size_t k = 0; k < m_kk; k++) {
xx = fmaxx(SmallNumber, moleFraction(k));
xx = std::max(SmallNumber, moleFraction(k));
mu[k] += rt*(log(xx));
}
}
@ -386,7 +386,7 @@ void IdealSolnGasVPSS::getPartialMolarEntropies(doublereal* sbar) const
doublereal r = GasConstant;
scale(sbar, sbar+m_kk, sbar, r);
for (size_t k = 0; k < m_kk; k++) {
doublereal xx = fmaxx(SmallNumber, moleFraction(k));
doublereal xx = std::max(SmallNumber, moleFraction(k));
sbar[k] += r * (- log(xx));
}
}

8
src/thermo/IonsFromNeutralVPSSTP.cpp
View file

@ -411,21 +411,21 @@ IonsFromNeutralVPSSTP::getChemPotentials(doublereal* mu) const
//! Get the id for the next cation
icat = cationList_[k];
jNeut = fm_invert_ionForNeutral[icat];
xx = fmaxx(SmallNumber, moleFractions_[icat]);
xx = std::max(SmallNumber, moleFractions_[icat]);
mu[icat] = muNeutralMolecule_[jNeut] + fact2 + RT_ * (lnActCoeff_NeutralMolecule_[jNeut] + log(xx));
}
// Do the anion list
icat = anionList_[0];
jNeut = fm_invert_ionForNeutral[icat];
xx = fmaxx(SmallNumber, moleFractions_[icat]);
xx = std::max(SmallNumber, moleFractions_[icat]);
mu[icat] = RT_ * log(xx);
// Do the list of neutral molecules
for (size_t k = 0; k < numPassThroughSpecies_; k++) {
icat = passThroughList_[k];
jNeut = fm_invert_ionForNeutral[icat];
xx = fmaxx(SmallNumber, moleFractions_[icat]);
xx = std::max(SmallNumber, moleFractions_[icat]);
mu[icat] = muNeutralMolecule_[jNeut] + RT_ * (lnActCoeff_NeutralMolecule_[jNeut] + log(xx));
}
break;
@ -513,7 +513,7 @@ void IonsFromNeutralVPSSTP::getPartialMolarEntropies(doublereal* sbar) const
s_update_dlnActCoeffdT();
for (size_t k = 0; k < m_kk; k++) {
xx = fmaxx(moleFractions_[k], xxSmall);
xx = std::max(moleFractions_[k], xxSmall);
sbar[k] += - lnActCoeff_Scaled_[k] -log(xx) - T * dlnActCoeffdT_Scaled_[k];
}
/*

4
src/thermo/LatticePhase.cpp
View file

@ -311,7 +311,7 @@ void LatticePhase::getChemPotentials(doublereal* mu) const
doublereal RT = temperature() * GasConstant;
const array_fp& g_RT = gibbs_RT_ref();
for (size_t k = 0; k < m_kk; k++) {
xx = fmaxx(SmallNumber, moleFraction(k));
xx = std::max(SmallNumber, moleFraction(k));
mu[k] = RT * (g_RT[k] + log(xx))
+ delta_p * m_speciesMolarVolume[k];
}
@ -331,7 +331,7 @@ void LatticePhase::getPartialMolarEntropies(doublereal* sbar) const
doublereal r = GasConstant;
doublereal xx;
for (size_t k = 0; k < m_kk; k++) {
xx = fmaxx(SmallNumber, moleFraction(k));
xx = std::max(SmallNumber, moleFraction(k));
sbar[k] = r * (_s[k] - log(xx));
}
}

4
src/thermo/MargulesVPSSTP.cpp
View file

@ -395,7 +395,7 @@ void MargulesVPSSTP::getChemPotentials(doublereal* mu) const
s_update_lnActCoeff();
doublereal RT = GasConstant * temperature();
for (size_t k = 0; k < m_kk; k++) {
xx = fmaxx(moleFractions_[k], xxSmall);
xx = std::max(moleFractions_[k], xxSmall);
mu[k] += RT * (log(xx) + lnActCoeff_Scaled_[k]);
}
}
@ -554,7 +554,7 @@ void MargulesVPSSTP::getPartialMolarEntropies(doublereal* sbar) const
s_update_dlnActCoeff_dT();
for (size_t k = 0; k < m_kk; k++) {
xx = fmaxx(moleFractions_[k], xxSmall);
xx = std::max(moleFractions_[k], xxSmall);
sbar[k] += - lnActCoeff_Scaled_[k] -log(xx) - T * dlnActCoeffdT_Scaled_[k];
}
/*

4
src/thermo/MixedSolventElectrolyte.cpp
View file

@ -400,7 +400,7 @@ void MixedSolventElectrolyte::getChemPotentials(doublereal* mu) const
*/
doublereal RT = GasConstant * temperature();
for (size_t k = 0; k < m_kk; k++) {
xx = fmaxx(moleFractions_[k], xxSmall);
xx = std::max(moleFractions_[k], xxSmall);
mu[k] += RT * (log(xx) + lnActCoeff_Scaled_[k]);
}
}
@ -559,7 +559,7 @@ void MixedSolventElectrolyte::getPartialMolarEntropies(doublereal* sbar) const
s_update_dlnActCoeff_dT();
for (size_t k = 0; k < m_kk; k++) {
xx = fmaxx(moleFractions_[k], xxSmall);
xx = std::max(moleFractions_[k], xxSmall);
sbar[k] += - lnActCoeff_Scaled_[k] -log(xx) - T * dlnActCoeffdT_Scaled_[k];
}
/*

4
src/thermo/MolalityVPSSTP.cpp
View file

@ -320,7 +320,7 @@ void MolalityVPSSTP::setMolalitiesByName(compositionMap& mMap)
vector_fp mf(kk, 0.0);
getMoleFractions(DATA_PTR(mf));
double xmolS = mf[m_indexSolvent];
double xmolSmin = max(xmolS, m_xmolSolventMIN);
double xmolSmin = std::max(xmolS, m_xmolSolventMIN);
compositionMap::iterator p;
for (size_t k = 0; k < kk; k++) {
p = mMap.find(speciesName(k));
@ -533,7 +533,7 @@ doublereal MolalityVPSSTP::osmoticCoefficient() const
*/
double sum = 0;
for (size_t k = 1; k < m_kk; k++) {
sum += fmaxx(m_molalities[k], 0.0);
sum += std::max(m_molalities[k], 0.0);
}
double oc = 1.0;
double lac = log(act[m_indexSolvent]);

6
src/thermo/MolarityIonicVPSSTP.cpp
View file

@ -332,7 +332,7 @@ void MolarityIonicVPSSTP::getChemPotentials(doublereal* mu) const
*/
doublereal RT = GasConstant * temperature();
for (size_t k = 0; k < m_kk; k++) {
xx = fmaxx(moleFractions_[k], xxSmall);
xx = std::max(moleFractions_[k], xxSmall);
mu[k] += RT * (log(xx) + lnActCoeff_Scaled_[k]);
}
}
@ -457,7 +457,7 @@ void MolarityIonicVPSSTP::getPartialMolarEntropies(doublereal* sbar) const
s_update_dlnActCoeff_dT();
for (size_t k = 0; k < m_kk; k++) {
xx = fmaxx(moleFractions_[k], xxSmall);
xx = std::max(moleFractions_[k], xxSmall);
sbar[k] += - lnActCoeff_Scaled_[k] -log(xx) - T * dlnActCoeffdT_Scaled_[k];
}
/*
@ -543,7 +543,7 @@ void MolarityIonicVPSSTP::calcPseudoBinaryMoleFractions() const
PBMoleFractions_[neutralPBindexStart + k] = moleFractions_[passThroughList_[k]];
}
sum = fmaxx(0.0, PBMoleFractions_[0]);
sum = std::max(0.0, PBMoleFractions_[0]);
for (k = 1; k < numPBSpecies_; k++) {
sum += PBMoleFractions_[k];

12
src/thermo/PhaseCombo_Interaction.cpp
View file

@ -412,7 +412,7 @@ void PhaseCombo_Interaction::getChemPotentials(doublereal* mu) const
*/
doublereal RT = GasConstant * temperature();
for (size_t k = 0; k < m_kk; k++) {
xx = fmaxx(moleFractions_[k], xxSmall);
xx = std::max(moleFractions_[k], xxSmall);
mu[k] += RT * (log(xx) + lnActCoeff_Scaled_[k]);
}
}
@ -570,7 +570,7 @@ void PhaseCombo_Interaction::getPartialMolarEntropies(doublereal* sbar) const
s_update_dlnActCoeff_dT();
for (size_t k = 0; k < m_kk; k++) {
xx = fmaxx(moleFractions_[k], xxSmall);
xx = std::max(moleFractions_[k], xxSmall);
sbar[k] += - lnActCoeff_Scaled_[k] - log(xx) - T * dlnActCoeffdT_Scaled_[k];
}
/*
@ -764,7 +764,7 @@ void PhaseCombo_Interaction::s_update_lnActCoeff() const
/*
* We never sample the end of the mole fraction domains
*/
xx = fmaxx(moleFractions_[iK], xxSmall);
xx = std::max(moleFractions_[iK], xxSmall);
/*
* First wipe out the ideal solution mixing term
*/
@ -885,7 +885,7 @@ void PhaseCombo_Interaction::getdlnActCoeffds(const doublereal dTds, const doub
/*
* We never sample the end of the mole fraction domains
*/
xx = fmaxx(moleFractions_[iK], xxSmall);
xx = std::max(moleFractions_[iK], xxSmall);
/*
* First wipe out the ideal solution mixing term
*/
@ -949,7 +949,7 @@ void PhaseCombo_Interaction::s_update_dlnActCoeff_dlnN_diag() const
/*
* We never sample the end of the mole fraction domains
*/
xx = fmaxx(moleFractions_[iK], xxSmall);
xx = std::max(moleFractions_[iK], xxSmall);
/*
* First wipe out the ideal solution mixing term
*/
@ -1011,7 +1011,7 @@ void PhaseCombo_Interaction::s_update_dlnActCoeff_dlnN() const
/*
* We never sample the end of the mole fraction domains
*/
xx = fmaxx(moleFractions_[iK], xxSmall);
xx = std::max(moleFractions_[iK], xxSmall);
for (size_t iM = 0; iM < m_kk; iM++) {
XM = moleFractions_[iM];

2
src/thermo/PseudoBinaryVPSSTP.cpp
View file

@ -205,7 +205,7 @@ void PseudoBinaryVPSSTP::calcPseudoBinaryMoleFractions() const
moleFractions_[cationList_[k]];
}
sum = fmaxx(0.0, PBMoleFractions_[0]);
sum = std::max(0.0, PBMoleFractions_[0]);
for (k = 1; k < numPBSpecies_; k++) {
sum += PBMoleFractions_[k];
}

4
src/thermo/RedlichKisterVPSSTP.cpp
View file

@ -401,7 +401,7 @@ void RedlichKisterVPSSTP::getChemPotentials(doublereal* mu) const
*/
doublereal RT = GasConstant * temperature();
for (size_t k = 0; k < m_kk; k++) {
xx = fmaxx(moleFractions_[k], xxSmall);
xx = std::max(moleFractions_[k], xxSmall);
mu[k] += RT * (log(xx) + lnActCoeff_Scaled_[k]);
}
}
@ -560,7 +560,7 @@ void RedlichKisterVPSSTP::getPartialMolarEntropies(doublereal* sbar) const
s_update_dlnActCoeff_dT();
for (size_t k = 0; k < m_kk; k++) {
xx = fmaxx(moleFractions_[k], xxSmall);
xx = std::max(moleFractions_[k], xxSmall);
sbar[k] += - lnActCoeff_Scaled_[k] -log(xx) - T * dlnActCoeffdT_Scaled_[k];
}
/*

2
src/transport/AqueousTransport.cpp
View file

@ -516,7 +516,7 @@ void AqueousTransport::update_C()
// negative mole fractions. MIN_X is 1.0E-20, a value
// which is below the additive machine precision of mole fractions.
for (size_t k = 0; k < m_nsp; k++) {
m_molefracs[k] = fmaxx(MIN_X, m_molefracs[k]);
m_molefracs[k] = std::max(MIN_X, m_molefracs[k]);
}
}
//====================================================================================================================

2
src/transport/DustyGasTransport.cpp
View file

@ -425,7 +425,7 @@ void DustyGasTransport::updateTransport_C()
// add an offset to avoid a pure species condition
// (check - this may be unnecessary)
for (size_t k = 0; k < m_nsp; k++) {
m_x[k] = fmaxx(MIN_X, m_x[k]);
m_x[k] = std::max(MIN_X, m_x[k]);
}
// diffusion coeffs depend on Pressure
m_bulk_ok = false;

6
src/transport/LiquidTransport.cpp
View file

@ -1353,9 +1353,9 @@ bool LiquidTransport::update_C()
concTot_ = 0.0;
concTot_tran_ = 0.0;
for (size_t k = 0; k < m_nsp; k++) {
m_molefracs[k] = fmaxx(0.0, m_molefracs[k]);
m_molefracs_tran[k] = fmaxx(MIN_X, m_molefracs[k]);
m_massfracs_tran[k] = fmaxx(MIN_X, m_massfracs[k]);
m_molefracs[k] = std::max(0.0, m_molefracs[k]);
m_molefracs_tran[k] = std::max(MIN_X, m_molefracs[k]);
m_massfracs_tran[k] = std::max(MIN_X, m_massfracs[k]);
concTot_tran_ += m_molefracs_tran[k];
concTot_ += m_concentrations[k];
}

2
src/transport/MixTransport.cpp
View file

@ -542,7 +542,7 @@ void MixTransport::update_C()
// add an offset to avoid a pure species condition
for (size_t k = 0; k < m_nsp; k++) {
m_molefracs[k] = fmaxx(MIN_X, m_molefracs[k]);
m_molefracs[k] = std::max(MIN_X, m_molefracs[k]);
}
}
//====================================================================================================================

4
src/transport/MultiTransport.cpp
View file

@ -833,7 +833,7 @@ void MultiTransport::_update_transport_C()
// add an offset to avoid a pure species condition
// (check - this may be unnecessary)
for (size_t k = 0; k < m_nsp; k++) {
m_molefracs[k] = fmaxx(MIN_X, m_molefracs[k]);
m_molefracs[k] = std::max(MIN_X, m_molefracs[k]);
}
}
@ -1021,7 +1021,7 @@ void MultiTransport::_update_thermal_T()
for (size_t k = 0; k < m_nsp; k++) {
tr = m_eps[k]/ m_kbt;
sqtr = m_sqrt_eps_k[k] / m_sqrt_t;
m_rotrelax[k] = fmaxx(1.0,m_zrot[k]) * m_frot_298[k]/Frot(tr, sqtr);
m_rotrelax[k] = std::max(1.0,m_zrot[k]) * m_frot_298[k]/Frot(tr, sqtr);
}
doublereal d;

2
src/transport/SimpleTransport.cpp
View file

@ -903,7 +903,7 @@ bool SimpleTransport::update_C()
m_thermo->getConcentrations(DATA_PTR(m_concentrations));
concTot_ = 0.0;
for (size_t k = 0; k < m_nsp; k++) {
m_molefracs[k] = fmaxx(0.0, m_molefracs[k]);
m_molefracs[k] = std::max(0.0, m_molefracs[k]);
concTot_ += m_concentrations[k];
}
dens_ = m_thermo->density();

2
src/transport/TransportFactory.cpp
View file

@ -961,7 +961,7 @@ void TransportFactory::getTransportData(const std::vector<const XML_Node*> &xspe
tr.sigma[i] = 1.e-10 * trdat.diameter;
tr.eps[i] = Boltzmann * trdat.wellDepth;
tr.zrot[i] = fmaxx(1.0, trdat.rotRelaxNumber);
tr.zrot[i] = std::max(1.0, trdat.rotRelaxNumber);
}
}