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Use std::sort to eliminate need for vcs_optMax

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This commit is contained in:
Ray Speth 2018-05-15 18:32:06 -04:00
parent df6ecb101b
commit 07eed363fe
3 changed files with 7 additions and 53 deletions
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11
include/cantera/equil/vcs_internal.h
View file

@ -90,17 +90,6 @@ typedef double(*VCS_FUNC_PTR)(double xval, double Vtarget,
*/
double vcs_l2norm(const vector_fp& vec);
//! Finds the location of the maximum component in a double vector
/*!
* @param x pointer to a vector of doubles
* @param xSize pointer to a vector of doubles used as a multiplier to x[]
* before making the decision. Ignored if set to NULL.
* @param j lowest index to search from
* @param n highest index to search from
* @returns index of the greatest value on X(i) searched, j <= i < n
*/
size_t vcs_optMax(const double* x, const double* xSize, size_t j, size_t n);
//! Returns a const char string representing the type of the species given by
//! the first argument
/*!

24
src/equil/vcs_report.cpp
View file

@ -12,24 +12,14 @@ namespace Cantera
int VCS_SOLVE::vcs_report(int iconv)
{
bool inertYes = false;
std::vector<size_t> sortindex(m_nsp, 0);
vector_fp xy(m_nsp, 0.0);
// SORT DEPENDENT SPECIES IN DECREASING ORDER OF MOLES
for (size_t i = 0; i < m_nsp; ++i) {
sortindex[i] = i;
xy[i] = m_molNumSpecies_old[i];
}
// Sort the XY vector, the mole fraction vector, and the sort index vector,
// sortindex, according to the magnitude of the mole fraction vector.
for (size_t i = m_numComponents; i < m_numSpeciesRdc; ++i) {
size_t k = vcs_optMax(&xy[0], 0, i, m_numSpeciesRdc);
if (k != i) {
std::swap(xy[k], xy[i]);
std::swap(sortindex[k], sortindex[i]);
}
std::vector<std::pair<double, size_t>> x_order;
for (size_t i = 0; i < m_nsp; i++) {
x_order.push_back({-m_molNumSpecies_old[i], i});
}
std::sort(x_order.begin() + m_numComponents,
x_order.begin() + m_numSpeciesRdc);
vcs_setFlagsVolPhases(false, VCS_STATECALC_OLD);
vcs_dfe(VCS_STATECALC_OLD, 0, 0, m_nsp);
@ -71,7 +61,7 @@ int VCS_SOLVE::vcs_report(int iconv)
plogf("\n");
}
for (size_t i = m_numComponents; i < m_numSpeciesRdc; ++i) {
size_t j = sortindex[i];
size_t j = x_order[i].second;
plogf(" %-12.12s", m_speciesName[j]);
writeline(' ', 13, false);
@ -239,7 +229,7 @@ int VCS_SOLVE::vcs_report(int iconv)
plogf("| (MolNum ChemPot)|");
writeline('-', 147, true, true);
for (size_t i = 0; i < m_nsp; ++i) {
size_t j = sortindex[i];
size_t j = x_order[i].second;
size_t pid = m_phaseID[j];
plogf(" %-12.12s", m_speciesName[j]);
plogf(" %14.7E ", m_molNumSpecies_old[j]);

25
src/equil/vcs_util.cpp
View file

@ -30,31 +30,6 @@ double vcs_l2norm(const vector_fp& vec)
return std::sqrt(sum / vec.size());
}
size_t vcs_optMax(const double* x, const double* xSize, size_t j, size_t n)
{
size_t largest = j;
double big = x[j];
if (xSize) {
assert(xSize[j] > 0.0);
big *= xSize[j];
for (size_t i = j + 1; i < n; ++i) {
assert(xSize[i] > 0.0);
if ((x[i] * xSize[i]) > big) {
largest = i;
big = x[i] * xSize[i];
}
}
} else {
for (size_t i = j + 1; i < n; ++i) {
if (x[i] > big) {
largest = i;
big = x[i];
}
}
}
return largest;
}
const char* vcs_speciesType_string(int speciesStatus, int length)
{
switch (speciesStatus) {