mirror of
https://github.com/Cantera/cantera.git
synced 2025-02-25 18:55:29 -06:00
Move method implementations out of CoverageDependentSurfPhase.h
This commit is contained in:
Ray Speth
Ingmar Schoegl
parent
460d0112ee
commit
5739aee345
@ -137,36 +137,8 @@ public:
|
||||
* a target species
|
||||
* @param dep_map map of coverage-dependency parameters
|
||||
*/
|
||||
PolynomialDependency(size_t k, size_t j, const AnyMap& dep_map):
|
||||
k(k),
|
||||
j(j),
|
||||
enthalpy_coeffs({0.0, 0.0, 0.0, 0.0, 0.0}),
|
||||
entropy_coeffs({0.0, 0.0, 0.0, 0.0, 0.0}),
|
||||
isLinear(false)
|
||||
{
|
||||
// For linear model
|
||||
if (dep_map["model"] == "linear") {
|
||||
if (dep_map.hasKey("enthalpy")) {
|
||||
enthalpy_coeffs[1] = dep_map.convert("enthalpy", "J/kmol");
|
||||
}
|
||||
if (dep_map.hasKey("entropy")) {
|
||||
entropy_coeffs[1] = dep_map.convert("entropy", "J/kmol/K");
|
||||
}
|
||||
isLinear = true;
|
||||
// For polynomial(4th) model
|
||||
} else if (dep_map["model"] == "polynomial") {
|
||||
if (dep_map.hasKey("enthalpy-coefficients")) {
|
||||
enthalpy_coeffs = dep_map.convertVector(
|
||||
"enthalpy-coefficients", "J/kmol");
|
||||
enthalpy_coeffs.insert(enthalpy_coeffs.begin(), 0.0);
|
||||
}
|
||||
if (dep_map.hasKey("entropy-coefficients")) {
|
||||
entropy_coeffs = dep_map.convertVector(
|
||||
"entropy-coefficients", "J/kmol/K");
|
||||
entropy_coeffs.insert(entropy_coeffs.begin(), 0.0);
|
||||
}
|
||||
}
|
||||
}
|
||||
PolynomialDependency(size_t k, size_t j, const AnyMap& dep_map);
|
||||
|
||||
//! index of a target species whose enthalpy and entropy is calculated
|
||||
size_t k;
|
||||
//! index of a species whose coverage affects enthalpy and entropy of
|
||||
@ -199,71 +171,8 @@ public:
|
||||
* @param node species node of a target species
|
||||
*/
|
||||
InterpolativeDependency(size_t k, size_t j,
|
||||
const AnyMap& dep_map, const AnyBase& node):
|
||||
k(k),
|
||||
j(j),
|
||||
enthalpy_map({{0.0, 0.0}, {1.0, 0.0}}),
|
||||
entropy_map({{0.0, 0.0}, {1.0, 0.0}}),
|
||||
isPiecewise(false)
|
||||
{
|
||||
// For piecewise-linear model
|
||||
// Piecewise-linear model coefficients are converted into
|
||||
// a map <coverages: values>
|
||||
if (dep_map["model"] == "piecewise-linear") {
|
||||
if (dep_map.hasKey("enthalpy-low") ||
|
||||
dep_map.hasKey("enthalpy-change") ||
|
||||
dep_map.hasKey("enthalpy-high")) {
|
||||
auto cov_change = dep_map["enthalpy-change"].as<double>();
|
||||
enthalpy_map[cov_change] =
|
||||
dep_map.convert("enthalpy-low", "J/kmol") * cov_change;
|
||||
enthalpy_map[1.0] = (1.0 - cov_change)
|
||||
* dep_map.convert("enthalpy-high", "J/kmol")
|
||||
+ enthalpy_map[cov_change];
|
||||
}
|
||||
if (dep_map.hasKey("entropy-low") ||
|
||||
dep_map.hasKey("entropy-change") ||
|
||||
dep_map.hasKey("entropy-high")) {
|
||||
auto cov_change = dep_map["entropy-change"].as<double>();
|
||||
entropy_map[cov_change] =
|
||||
dep_map.convert("entropy-low", "J/kmol/K") * cov_change;
|
||||
entropy_map[1.0] = (1.0 - cov_change)
|
||||
* dep_map.convert("entropy-high", "J/kmol/K")
|
||||
+ entropy_map[cov_change];
|
||||
}
|
||||
isPiecewise = true;
|
||||
// For interpolative model
|
||||
} else if (dep_map["model"] == "interpolative") {
|
||||
if (dep_map.hasKey("enthalpy-coverages") ||
|
||||
dep_map.hasKey("enthalpies")) {
|
||||
auto hcovs = dep_map["enthalpy-coverages"].as<vector<double>>();
|
||||
vector<double> enthalpies = dep_map.convertVector("enthalpies", "J/kmol");
|
||||
if (hcovs.size() != enthalpies.size()) {
|
||||
throw InputFileError("CoverageDependentSurfPhase::\
|
||||
addInterpolativeDependency", node,
|
||||
"Sizes of coverages array and enthalpies array are \
|
||||
not equal.");
|
||||
}
|
||||
for (size_t i = 0; i < hcovs.size(); i++) {
|
||||
enthalpy_map[hcovs[i]] = enthalpies[i];
|
||||
}
|
||||
}
|
||||
if (dep_map.hasKey("entropy-coverages") ||
|
||||
dep_map.hasKey("entropies")) {
|
||||
auto scovs = dep_map["entropy-coverages"].as<vector<double>>();
|
||||
vector<double> entropies = dep_map.convertVector("entropies",
|
||||
"J/kmol/K");
|
||||
if (scovs.size() != entropies.size()) {
|
||||
throw InputFileError("CoverageDependentSurfPhase::\
|
||||
addInterpolativeDependency", node,
|
||||
"Sizes of coverages array and entropies array are \
|
||||
not equal.");
|
||||
}
|
||||
for (size_t i = 0; i < scovs.size(); i++) {
|
||||
entropy_map[scovs[i]] = entropies[i];
|
||||
}
|
||||
}
|
||||
}
|
||||
}
|
||||
const AnyMap& dep_map, const AnyBase& node);
|
||||
|
||||
//! index of a target species whose enthalpy and entropy are calculated
|
||||
size_t k;
|
||||
//! index of a species whose coverage affects enthalpy and entropy of
|
||||
|
||||
@ -22,6 +22,105 @@ using namespace std;
|
||||
namespace Cantera
|
||||
{
|
||||
|
||||
CoverageDependentSurfPhase::PolynomialDependency::PolynomialDependency(
|
||||
size_t k, size_t j, const AnyMap& dep_map
|
||||
) :
|
||||
k(k),
|
||||
j(j),
|
||||
enthalpy_coeffs({0.0, 0.0, 0.0, 0.0, 0.0}),
|
||||
entropy_coeffs({0.0, 0.0, 0.0, 0.0, 0.0}),
|
||||
isLinear(false)
|
||||
{
|
||||
// For linear model
|
||||
if (dep_map["model"] == "linear") {
|
||||
if (dep_map.hasKey("enthalpy")) {
|
||||
enthalpy_coeffs[1] = dep_map.convert("enthalpy", "J/kmol");
|
||||
}
|
||||
if (dep_map.hasKey("entropy")) {
|
||||
entropy_coeffs[1] = dep_map.convert("entropy", "J/kmol/K");
|
||||
}
|
||||
isLinear = true;
|
||||
// For polynomial(4th) model
|
||||
} else if (dep_map["model"] == "polynomial") {
|
||||
if (dep_map.hasKey("enthalpy-coefficients")) {
|
||||
enthalpy_coeffs = dep_map.convertVector(
|
||||
"enthalpy-coefficients", "J/kmol");
|
||||
enthalpy_coeffs.insert(enthalpy_coeffs.begin(), 0.0);
|
||||
}
|
||||
if (dep_map.hasKey("entropy-coefficients")) {
|
||||
entropy_coeffs = dep_map.convertVector(
|
||||
"entropy-coefficients", "J/kmol/K");
|
||||
entropy_coeffs.insert(entropy_coeffs.begin(), 0.0);
|
||||
}
|
||||
}
|
||||
}
|
||||
|
||||
CoverageDependentSurfPhase::InterpolativeDependency::InterpolativeDependency(
|
||||
size_t k, size_t j, const AnyMap& dep_map, const AnyBase& node
|
||||
) :
|
||||
k(k),
|
||||
j(j),
|
||||
enthalpy_map({{0.0, 0.0}, {1.0, 0.0}}),
|
||||
entropy_map({{0.0, 0.0}, {1.0, 0.0}}),
|
||||
isPiecewise(false)
|
||||
{
|
||||
// For piecewise-linear model
|
||||
// Piecewise-linear model coefficients are converted into
|
||||
// a map <coverages: values>
|
||||
if (dep_map["model"] == "piecewise-linear") {
|
||||
if (dep_map.hasKey("enthalpy-low") ||
|
||||
dep_map.hasKey("enthalpy-change") ||
|
||||
dep_map.hasKey("enthalpy-high"))
|
||||
{
|
||||
auto cov_change = dep_map["enthalpy-change"].as<double>();
|
||||
enthalpy_map[cov_change] =
|
||||
dep_map.convert("enthalpy-low", "J/kmol") * cov_change;
|
||||
enthalpy_map[1.0] = (1.0 - cov_change)
|
||||
* dep_map.convert("enthalpy-high", "J/kmol")
|
||||
+ enthalpy_map[cov_change];
|
||||
}
|
||||
if (dep_map.hasKey("entropy-low") ||
|
||||
dep_map.hasKey("entropy-change") ||
|
||||
dep_map.hasKey("entropy-high"))
|
||||
{
|
||||
auto cov_change = dep_map["entropy-change"].as<double>();
|
||||
entropy_map[cov_change] =
|
||||
dep_map.convert("entropy-low", "J/kmol/K") * cov_change;
|
||||
entropy_map[1.0] = (1.0 - cov_change)
|
||||
* dep_map.convert("entropy-high", "J/kmol/K")
|
||||
+ entropy_map[cov_change];
|
||||
}
|
||||
isPiecewise = true;
|
||||
// For interpolative model
|
||||
} else if (dep_map["model"] == "interpolative") {
|
||||
if (dep_map.hasKey("enthalpy-coverages") || dep_map.hasKey("enthalpies")) {
|
||||
auto hcovs = dep_map["enthalpy-coverages"].as<vector<double>>();
|
||||
vector<double> enthalpies = dep_map.convertVector("enthalpies", "J/kmol");
|
||||
if (hcovs.size() != enthalpies.size()) {
|
||||
throw InputFileError("CoverageDependentSurfPhase::"
|
||||
"addInterpolativeDependency", node,
|
||||
"Sizes of coverages array and enthalpies array are not equal.");
|
||||
}
|
||||
for (size_t i = 0; i < hcovs.size(); i++) {
|
||||
enthalpy_map[hcovs[i]] = enthalpies[i];
|
||||
}
|
||||
}
|
||||
if (dep_map.hasKey("entropy-coverages") || dep_map.hasKey("entropies")) {
|
||||
auto scovs = dep_map["entropy-coverages"].as<vector<double>>();
|
||||
vector<double> entropies = dep_map.convertVector("entropies",
|
||||
"J/kmol/K");
|
||||
if (scovs.size() != entropies.size()) {
|
||||
throw InputFileError("CoverageDependentSurfPhase::"
|
||||
"addInterpolativeDependency", node,
|
||||
"Sizes of coverages array and entropies array are not equal.");
|
||||
}
|
||||
for (size_t i = 0; i < scovs.size(); i++) {
|
||||
entropy_map[scovs[i]] = entropies[i];
|
||||
}
|
||||
}
|
||||
}
|
||||
}
|
||||
|
||||
CoverageDependentSurfPhase::CoverageDependentSurfPhase(const string& infile,
|
||||
const string& id_):
|
||||
m_theta_ref(1.0),
|
||||
|
||||
Loading…
Reference in New Issue
Block a user