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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:
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* a target species
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* a target species
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* @param dep_map map of coverage-dependency parameters
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* @param dep_map map of coverage-dependency parameters
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*/
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*/
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PolynomialDependency(size_t k, size_t j, const AnyMap& dep_map):
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PolynomialDependency(size_t k, size_t j, const AnyMap& dep_map);
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k(k),
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j(j),
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enthalpy_coeffs({0.0, 0.0, 0.0, 0.0, 0.0}),
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entropy_coeffs({0.0, 0.0, 0.0, 0.0, 0.0}),
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isLinear(false)
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{
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// For linear model
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if (dep_map["model"] == "linear") {
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if (dep_map.hasKey("enthalpy")) {
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enthalpy_coeffs[1] = dep_map.convert("enthalpy", "J/kmol");
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}
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if (dep_map.hasKey("entropy")) {
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entropy_coeffs[1] = dep_map.convert("entropy", "J/kmol/K");
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}
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isLinear = true;
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// For polynomial(4th) model
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} else if (dep_map["model"] == "polynomial") {
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if (dep_map.hasKey("enthalpy-coefficients")) {
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enthalpy_coeffs = dep_map.convertVector(
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"enthalpy-coefficients", "J/kmol");
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enthalpy_coeffs.insert(enthalpy_coeffs.begin(), 0.0);
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}
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if (dep_map.hasKey("entropy-coefficients")) {
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entropy_coeffs = dep_map.convertVector(
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"entropy-coefficients", "J/kmol/K");
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entropy_coeffs.insert(entropy_coeffs.begin(), 0.0);
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}
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}
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}
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//! index of a target species whose enthalpy and entropy is calculated
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//! index of a target species whose enthalpy and entropy is calculated
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size_t k;
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size_t k;
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//! index of a species whose coverage affects enthalpy and entropy of
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//! index of a species whose coverage affects enthalpy and entropy of
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@ -199,71 +171,8 @@ public:
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* @param node species node of a target species
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* @param node species node of a target species
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*/
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*/
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InterpolativeDependency(size_t k, size_t j,
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InterpolativeDependency(size_t k, size_t j,
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const AnyMap& dep_map, const AnyBase& node):
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const AnyMap& dep_map, const AnyBase& node);
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k(k),
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j(j),
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enthalpy_map({{0.0, 0.0}, {1.0, 0.0}}),
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entropy_map({{0.0, 0.0}, {1.0, 0.0}}),
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isPiecewise(false)
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{
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// For piecewise-linear model
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// Piecewise-linear model coefficients are converted into
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// a map <coverages: values>
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if (dep_map["model"] == "piecewise-linear") {
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if (dep_map.hasKey("enthalpy-low") ||
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dep_map.hasKey("enthalpy-change") ||
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dep_map.hasKey("enthalpy-high")) {
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auto cov_change = dep_map["enthalpy-change"].as<double>();
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enthalpy_map[cov_change] =
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dep_map.convert("enthalpy-low", "J/kmol") * cov_change;
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enthalpy_map[1.0] = (1.0 - cov_change)
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* dep_map.convert("enthalpy-high", "J/kmol")
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+ enthalpy_map[cov_change];
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}
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if (dep_map.hasKey("entropy-low") ||
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dep_map.hasKey("entropy-change") ||
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dep_map.hasKey("entropy-high")) {
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auto cov_change = dep_map["entropy-change"].as<double>();
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entropy_map[cov_change] =
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dep_map.convert("entropy-low", "J/kmol/K") * cov_change;
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entropy_map[1.0] = (1.0 - cov_change)
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* dep_map.convert("entropy-high", "J/kmol/K")
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+ entropy_map[cov_change];
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}
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isPiecewise = true;
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// For interpolative model
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} else if (dep_map["model"] == "interpolative") {
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if (dep_map.hasKey("enthalpy-coverages") ||
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dep_map.hasKey("enthalpies")) {
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auto hcovs = dep_map["enthalpy-coverages"].as<vector<double>>();
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vector<double> enthalpies = dep_map.convertVector("enthalpies", "J/kmol");
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if (hcovs.size() != enthalpies.size()) {
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throw InputFileError("CoverageDependentSurfPhase::\
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addInterpolativeDependency", node,
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"Sizes of coverages array and enthalpies array are \
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not equal.");
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}
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for (size_t i = 0; i < hcovs.size(); i++) {
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enthalpy_map[hcovs[i]] = enthalpies[i];
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}
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}
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if (dep_map.hasKey("entropy-coverages") ||
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dep_map.hasKey("entropies")) {
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auto scovs = dep_map["entropy-coverages"].as<vector<double>>();
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vector<double> entropies = dep_map.convertVector("entropies",
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"J/kmol/K");
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if (scovs.size() != entropies.size()) {
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throw InputFileError("CoverageDependentSurfPhase::\
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addInterpolativeDependency", node,
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"Sizes of coverages array and entropies array are \
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not equal.");
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}
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for (size_t i = 0; i < scovs.size(); i++) {
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entropy_map[scovs[i]] = entropies[i];
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}
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}
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}
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}
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//! index of a target species whose enthalpy and entropy are calculated
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//! index of a target species whose enthalpy and entropy are calculated
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size_t k;
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size_t k;
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//! index of a species whose coverage affects enthalpy and entropy of
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//! index of a species whose coverage affects enthalpy and entropy of
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@ -22,6 +22,105 @@ using namespace std;
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namespace Cantera
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namespace Cantera
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{
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{
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CoverageDependentSurfPhase::PolynomialDependency::PolynomialDependency(
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size_t k, size_t j, const AnyMap& dep_map
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) :
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k(k),
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j(j),
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enthalpy_coeffs({0.0, 0.0, 0.0, 0.0, 0.0}),
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entropy_coeffs({0.0, 0.0, 0.0, 0.0, 0.0}),
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isLinear(false)
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{
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// For linear model
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if (dep_map["model"] == "linear") {
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if (dep_map.hasKey("enthalpy")) {
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enthalpy_coeffs[1] = dep_map.convert("enthalpy", "J/kmol");
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}
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if (dep_map.hasKey("entropy")) {
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entropy_coeffs[1] = dep_map.convert("entropy", "J/kmol/K");
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}
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isLinear = true;
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// For polynomial(4th) model
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} else if (dep_map["model"] == "polynomial") {
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if (dep_map.hasKey("enthalpy-coefficients")) {
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enthalpy_coeffs = dep_map.convertVector(
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"enthalpy-coefficients", "J/kmol");
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enthalpy_coeffs.insert(enthalpy_coeffs.begin(), 0.0);
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}
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if (dep_map.hasKey("entropy-coefficients")) {
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entropy_coeffs = dep_map.convertVector(
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"entropy-coefficients", "J/kmol/K");
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entropy_coeffs.insert(entropy_coeffs.begin(), 0.0);
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}
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}
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}
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CoverageDependentSurfPhase::InterpolativeDependency::InterpolativeDependency(
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size_t k, size_t j, const AnyMap& dep_map, const AnyBase& node
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) :
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k(k),
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j(j),
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enthalpy_map({{0.0, 0.0}, {1.0, 0.0}}),
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entropy_map({{0.0, 0.0}, {1.0, 0.0}}),
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isPiecewise(false)
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{
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// For piecewise-linear model
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// Piecewise-linear model coefficients are converted into
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// a map <coverages: values>
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if (dep_map["model"] == "piecewise-linear") {
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if (dep_map.hasKey("enthalpy-low") ||
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dep_map.hasKey("enthalpy-change") ||
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dep_map.hasKey("enthalpy-high"))
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{
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auto cov_change = dep_map["enthalpy-change"].as<double>();
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enthalpy_map[cov_change] =
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dep_map.convert("enthalpy-low", "J/kmol") * cov_change;
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enthalpy_map[1.0] = (1.0 - cov_change)
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* dep_map.convert("enthalpy-high", "J/kmol")
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+ enthalpy_map[cov_change];
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}
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if (dep_map.hasKey("entropy-low") ||
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dep_map.hasKey("entropy-change") ||
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dep_map.hasKey("entropy-high"))
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{
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auto cov_change = dep_map["entropy-change"].as<double>();
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entropy_map[cov_change] =
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dep_map.convert("entropy-low", "J/kmol/K") * cov_change;
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entropy_map[1.0] = (1.0 - cov_change)
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* dep_map.convert("entropy-high", "J/kmol/K")
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+ entropy_map[cov_change];
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}
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isPiecewise = true;
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// For interpolative model
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} else if (dep_map["model"] == "interpolative") {
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if (dep_map.hasKey("enthalpy-coverages") || dep_map.hasKey("enthalpies")) {
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auto hcovs = dep_map["enthalpy-coverages"].as<vector<double>>();
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vector<double> enthalpies = dep_map.convertVector("enthalpies", "J/kmol");
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if (hcovs.size() != enthalpies.size()) {
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throw InputFileError("CoverageDependentSurfPhase::"
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"addInterpolativeDependency", node,
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"Sizes of coverages array and enthalpies array are not equal.");
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}
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for (size_t i = 0; i < hcovs.size(); i++) {
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enthalpy_map[hcovs[i]] = enthalpies[i];
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}
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}
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if (dep_map.hasKey("entropy-coverages") || dep_map.hasKey("entropies")) {
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auto scovs = dep_map["entropy-coverages"].as<vector<double>>();
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vector<double> entropies = dep_map.convertVector("entropies",
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"J/kmol/K");
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if (scovs.size() != entropies.size()) {
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throw InputFileError("CoverageDependentSurfPhase::"
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"addInterpolativeDependency", node,
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"Sizes of coverages array and entropies array are not equal.");
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}
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for (size_t i = 0; i < scovs.size(); i++) {
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entropy_map[scovs[i]] = entropies[i];
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}
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}
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}
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}
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CoverageDependentSurfPhase::CoverageDependentSurfPhase(const string& infile,
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CoverageDependentSurfPhase::CoverageDependentSurfPhase(const string& infile,
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const string& id_):
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const string& id_):
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m_theta_ref(1.0),
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m_theta_ref(1.0),
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