research/cantera
1
0
Fork 0
Code Issues Pull requests Projects Releases Packages Wiki Activity Actions

Fixed printout issues for interfacial voltage variables in equilibrium solver.

Browse source 
Added a global variable to indicate debug mode.
This commit is contained in:
Harry Moffat 2013-03-26 02:26:35 +00:00
parent 3c08cba848
commit 94cb8cbb65
6 changed files with 67 additions and 11 deletions
Show stats Download patch file Download diff file Expand all files Collapse all files

8
include/cantera/base/global.h
View file

@ -28,6 +28,14 @@ namespace Cantera
class XML_Node;
class Logger;
//! Declaration for whether the Debug mode is turned on within Cantera
/*!
* Turn on the mode by using the following compile time syntax
*
* scons debug_verbose=True build
*/
extern const int g_DEBUG_MODE;
//! Return the number of errors that have been encountered so far
/*!
* @ingroup errorhandling

1
src/base/application.cpp
View file

@ -24,6 +24,7 @@ using std::endl;
namespace Cantera
{
// If running multiple threads in a cpp application, the Application class
// is the only internal object that is single instance with static data.

8
src/base/global.cpp
View file

@ -14,6 +14,14 @@ using namespace std;
namespace Cantera
{
//! Definition of whether the DEBUG_MODE environment is turned on within Cantera.
#if DEBUG_MODE_ENABLED == 1
const int g_DEBUG_MODE = 1;
#else
const int g_DEBUG_MODE = 0;
#endif
//! Return a pointer to the application object
static Application* app()
{

12
src/equil/vcs_MultiPhaseEquil.cpp
View file

@ -1288,7 +1288,11 @@ int vcs_Cantera_to_vprob(Cantera::MultiPhase* mphase,
vcs_VolPhase* VolPhase = vprob->VPhaseList[iphase];
plogf("%16s %5d %16s", vprob->SpName[i].c_str(), iphase,
VolPhase->PhaseName.c_str());
plogf(" %-10.5g\n", vprob->w[i]);
if (vprob->SpeciesUnknownType[i] == VCS_SPECIES_TYPE_INTERFACIALVOLTAGE) {
plogf(" Volts = %-10.5g\n", vprob->w[i]);
} else {
plogf(" %-10.5g\n", vprob->w[i]);
}
}
/*
@ -1421,7 +1425,11 @@ int vcs_Cantera_update_vprob(Cantera::MultiPhase* mphase,
vcs_VolPhase* VolPhase = vprob->VPhaseList[iphase];
plogf("%16s %5d %16s", vprob->SpName[i].c_str(), iphase,
VolPhase->PhaseName.c_str());
plogf(" %-10.5g\n", vprob->w[i]);
if (vprob->SpeciesUnknownType[i] == VCS_SPECIES_TYPE_INTERFACIALVOLTAGE) {
plogf(" Volts = %-10.5g\n", vprob->w[i]);
} else {
plogf(" %-10.5g\n", vprob->w[i]);
}
}
/*

4
src/equil/vcs_prob.cpp
View file

@ -208,7 +208,9 @@ void VCS_PROB::set_gai()
for (size_t j = 0; j < ne; j++) {
for (size_t kspec = 0; kspec < nspecies; kspec++) {
ElemAbund[j] += fm[j][kspec] * w[kspec];
if (SpeciesUnknownType[kspec] != VCS_SPECIES_TYPE_INTERFACIALVOLTAGE) {
ElemAbund[j] += fm[j][kspec] * w[kspec];
}
}
}
}

45
src/equil/vcs_solve_TP.cpp
View file

@ -3330,9 +3330,18 @@ int VCS_SOLVE::vcs_basopt(const bool doJustComponents, double aw[], double sa[],
#ifdef DEBUG_MODE
if (m_debug_print_lvl >= 2) {
plogf(" --- %-12.12s", (m_speciesName[k]).c_str());
plogf("(%9.2g) replaces %-12.12s", m_molNumSpecies_old[k],
m_speciesName[jr].c_str());
plogf("(%9.2g) as component %3d\n", m_molNumSpecies_old[jr], jr);
if (m_speciesUnknownType[k] == VCS_SPECIES_TYPE_INTERFACIALVOLTAGE) {
plogf("(Volts = %9.2g)", m_molNumSpecies_old[k]);
} else {
plogf("(%9.2g)", m_molNumSpecies_old[k]);
}
plogf(" replaces %-12.12s", m_speciesName[jr].c_str());
if (m_speciesUnknownType[jr] == VCS_SPECIES_TYPE_INTERFACIALVOLTAGE) {
plogf("(Volts = %9.2g)", m_molNumSpecies_old[jr]);
} else {
plogf("(%9.2g)", m_molNumSpecies_old[jr]);
}
plogf(" as component %3d\n", jr);
}
#endif
vcs_switch_pos(false, jr, k);
@ -3342,7 +3351,11 @@ int VCS_SOLVE::vcs_basopt(const bool doJustComponents, double aw[], double sa[],
else {
if (m_debug_print_lvl >= 2) {
plogf(" --- %-12.12s", m_speciesName[k].c_str());
plogf("(%9.2g) remains ", m_molNumSpecies_old[k]);
if (m_speciesUnknownType[k] == VCS_SPECIES_TYPE_INTERFACIALVOLTAGE) {
plogf("(Volts = %9.2g) remains ", m_molNumSpecies_old[k]);
} else {
plogf("(%9.2g) remains ", m_molNumSpecies_old[k]);
}
plogf(" as component %3d\n", jr);
}
}
@ -3497,7 +3510,11 @@ L_END_LOOP:
}
plogf("\n --- Components Moles:");
for (j = 0; j < ncTrial; j++) {
plogf(" % -10.3E", m_molNumSpecies_old[j]);
if (m_speciesUnknownType[j] == VCS_SPECIES_TYPE_INTERFACIALVOLTAGE) {
plogf(" % -10.3E", 0.0);
} else {
plogf(" % -10.3E", m_molNumSpecies_old[j]);
}
}
plogf("\n --- NonComponent| Moles |");
for (j = 0; j < ncTrial; j++) {
@ -3508,7 +3525,11 @@ L_END_LOOP:
for (i = 0; i < m_numRxnTot; i++) {
plogf(" --- %3d ", m_indexRxnToSpecies[i]);
plogf("%-10.10s", m_speciesName[m_indexRxnToSpecies[i]].c_str());
plogf("|% -10.3E|", m_molNumSpecies_old[m_indexRxnToSpecies[i]]);
if (m_speciesUnknownType[m_indexRxnToSpecies[i]] == VCS_SPECIES_TYPE_INTERFACIALVOLTAGE) {
plogf("|% -10.3E|", 0.0);
} else {
plogf("|% -10.3E|", m_molNumSpecies_old[m_indexRxnToSpecies[i]]);
}
for (j = 0; j < ncTrial; j++) {
plogf(" %+7.3f", m_stoichCoeffRxnMatrix[i][j]);
}
@ -5122,7 +5143,11 @@ void VCS_SOLVE::vcs_printDeltaG(const int stateCalc)
for (size_t i = 0; i < m_numRxnTot; i++) {
plogf(" --- %3d ", m_indexRxnToSpecies[i]);
plogf("%-10.10s", m_speciesName[m_indexRxnToSpecies[i]].c_str());
plogf("|%10.3g|", m_molNumSpecies_old[m_indexRxnToSpecies[i]]);
if (m_speciesUnknownType[m_indexRxnToSpecies[i]] == VCS_SPECIES_TYPE_INTERFACIALVOLTAGE) {
plogf("| NA |");
} else {
plogf("|%10.3g|", m_molNumSpecies_old[m_indexRxnToSpecies[i]]);
}
for (j = 0; j < m_numComponents; j++) {
plogf(" %6.2f", m_stoichCoeffRxnMatrix[i][j]);
}
@ -5177,7 +5202,11 @@ void VCS_SOLVE::vcs_printDeltaG(const int stateCalc)
}
printf("%-24.24s", m_speciesName[kspec].c_str());
printf(" %-3s", Cantera::int2str(iphase).c_str());
printf(" % -12.4e", molNumSpecies[kspec]);
if (m_speciesUnknownType[kspec] == VCS_SPECIES_TYPE_INTERFACIALVOLTAGE) {
printf(" NA ");
} else {
printf(" % -12.4e", molNumSpecies[kspec]);
}
printf(" % -12.4e", mfValue);
printf(" % -12.4e", feSpecies[kspec] * RT);
printf(" % -12.4e", feFull * RT);