Enabled class Adsorbate

This commit is contained in:
Ray Speth 2012-05-31 14:57:49 +00:00
parent 55ef0f3c73
commit cc042e088f
5 changed files with 3 additions and 23 deletions

View file

@ -324,10 +324,6 @@ opts.AddVariables(
'sphinx_docs',
"""Build HTML documentation for the Python module using Sphinx""",
False),
BoolVariable(
'with_adsorbate',
"""Include thermodynamic model for adsorbates in the Cantera kernel""",
True),
BoolVariable(
'with_h298modify_capability',
"""Enable changing the 298K heats of formation directly via

View file

@ -137,10 +137,6 @@ of this file is:
kernel.
- default: 'yes'
* with_adsorbate: [ yes | no ]
Include thermodynamic model for adsorbates in the Cantera kernel
- default: 'yes'
* with_h298modify_capability: [ yes | no ]
Enable changing the 298K heats of formation directly via the C++
layer.

View file

@ -120,7 +120,7 @@ public:
}
//! Returns an integer representing the species index
virtual int speciesIndex() const {
virtual size_t speciesIndex() const {
return m_index;
}
@ -165,7 +165,7 @@ public:
* @param coeffs Vector of coefficients used to set the
* parameters for the standard state.
*/
void reportParameters(int& n, int& type,
void reportParameters(size_t& n, int& type,
doublereal& tlow, doublereal& thigh,
doublereal& pref,
doublereal* const coeffs) const {
@ -176,7 +176,7 @@ public:
pref = m_Pref;
coeffs[0] = m_nFreqs;
coeffs[1] = m_be;
for (int i = 2; i < m_nFreqs+2; i++) {
for (size_t i = 2; i < m_nFreqs+2; i++) {
coeffs[i] = m_freq[i-2];
}
}

View file

@ -12,10 +12,7 @@
#include "ShomatePoly.h"
#include "ConstCpPoly.h"
#include "cantera/thermo/Mu0Poly.h"
#ifdef WITH_ADSORBATE
#include "cantera/thermo/AdsorbateThermo.h"
#endif
#include "cantera/thermo/SpeciesThermoFactory.h"
#include <iostream>
@ -157,12 +154,10 @@ void GeneralSpeciesThermo::install(std::string name,
m_sp[index] = new NasaPoly2(index, minTemp, maxTemp,
refPressure, c);
break;
#ifdef WITH_ADSORBATE
case ADSORBATE:
m_sp[index] = new Adsorbate(index, minTemp, maxTemp,
refPressure, c);
break;
#endif
default:
throw UnknownSpeciesThermoModel(
"GeneralSpeciesThermo::install",

View file

@ -18,10 +18,7 @@ using namespace std;
#include "Nasa9PolyMultiTempRegion.h"
#include "cantera/thermo/Nasa9Poly1.h"
#ifdef WITH_ADSORBATE
#include "cantera/thermo/AdsorbateThermo.h"
#endif
#include "cantera/thermo/SpeciesThermoMgr.h"
#include "cantera/thermo/speciesThermoTypes.h"
#include "cantera/thermo/VPSSMgr.h"
@ -677,7 +674,6 @@ static void installNasa9ThermoFromXML(std::string speciesName,
}
#ifdef WITH_ADSORBATE
//! Install a Adsorbate polynomial thermodynamic property parameterization for species k into a SpeciesThermo instance.
/*!
* This is called by method installThermoForSpecies if a Adsorbate block is found in the XML input.
@ -719,7 +715,6 @@ static void installAdsorbateThermoFromXML(std::string speciesName,
copy(freqs.begin(), freqs.end(), coeffs.begin() + 2);
(&sp)->install(speciesName, k, ADSORBATE, &coeffs[0], tmin, tmax, pref);
}
#endif
//================================================================================================
// Install a species thermodynamic property parameterization
@ -782,11 +777,9 @@ void SpeciesThermoFactory::installThermoForSpecies
} else if (f->name() == "NASA9") {
installNasa9ThermoFromXML(speciesNode["name"], spthermo, k, tp);
}
#ifdef WITH_ADSORBATE
else if (f->name() == "adsorbate") {
installAdsorbateThermoFromXML(speciesNode["name"], spthermo, k, *f);
}
#endif
else {
throw UnknownSpeciesThermoModel("installThermoForSpecies",
speciesNode["name"], f->name());