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https://github.com/Cantera/cantera.git
synced 2025-02-25 18:55:29 -06:00
Clean up line wrapping and indentation
This commit is contained in:
parent
c50b8b4faf
commit
53396d4414
@ -533,7 +533,7 @@ public:
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* thrown if this condition is not met.
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*/
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vector<double> convertVector(const string& key, const string& units,
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size_t nMin=npos, size_t nMax=npos) const;
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size_t nMin=npos, size_t nMax=npos) const;
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//! Defined to allow use with range-based for loops. Iteration automatically
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//! skips over keys that start and end with double underscores.
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@ -771,9 +771,8 @@ public:
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return "InputFileError";
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}
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protected:
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static string formatError(const string& message,
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int line, int column,
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const shared_ptr<AnyMap>& metadata);
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static string formatError(const string& message, int line, int column,
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const shared_ptr<AnyMap>& metadata);
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static string formatError2(const string& message,
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int line1, int column1, const shared_ptr<AnyMap>& metadata1,
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int line2, int column2, const shared_ptr<AnyMap>& metadata2);
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@ -74,8 +74,7 @@ public:
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//! @param rateName The name of the reaction rate type, which corresponds to the
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//! name used to register the wrapper generator using registerReactionDataLinker
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//! @param data The ReactionData object to be wrapped
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static void wrapReactionData(const string& rateName,
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ReactionDataDelegator& data);
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static void wrapReactionData(const string& rateName, ReactionDataDelegator& data);
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//! Create an object in an external language that wraps the specified Solution
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//! object.
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@ -108,8 +107,7 @@ public:
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protected:
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//! Functions for wrapping and linking ReactionData objects
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static map<string,
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function<void(ReactionDataDelegator&)>> s_ReactionData_linkers;
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static map<string, function<void(ReactionDataDelegator&)>> s_ReactionData_linkers;
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//! Functions for wrapping and linking Solution objects
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static map<string,
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@ -207,8 +207,7 @@ public:
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void setDefaultActivationEnergy(const string& e_units);
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//! Convert `value` from the units of `src` to the units of `dest`.
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double convert(double value, const string& src,
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const string& dest) const;
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double convert(double value, const string& src, const string& dest) const;
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double convert(double value, const Units& src, const Units& dest) const;
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//! Convert `value` to the specified `dest` units from the appropriate units
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@ -80,8 +80,7 @@ public:
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* @param args Arguments which will be used to interpolate the format string
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*/
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template <typename... Args>
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CanteraError(const string& procedure, const string& msg,
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const Args&... args)
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CanteraError(const string& procedure, const string& msg, const Args&... args)
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: procedure_(procedure)
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{
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if (sizeof...(args) == 0) {
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@ -202,8 +201,7 @@ public:
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//! Alternative constructor taking same arguments as CanteraError
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template <typename... Args>
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NotImplementedError(const string& func, const string& msg,
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const Args&... args) :
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NotImplementedError(const string& func, const string& msg, const Args&... args) :
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CanteraError(func, msg, args...) {}
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virtual string getClass() const {
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@ -224,8 +224,7 @@ void _warn_deprecated(const string& method, const string& extra="");
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* @param args arguments for the format string
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*/
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template <typename... Args>
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void warn_deprecated(const string& method, const string& msg,
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const Args&... args) {
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void warn_deprecated(const string& method, const string& msg, const Args&... args) {
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if (sizeof...(args) == 0) {
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_warn_deprecated(method, msg);
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} else {
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@ -236,8 +235,7 @@ void warn_deprecated(const string& method, const string& msg,
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//! @cond
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//! helper function passing generic warning to global handler
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void _warn(const string& warning,
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const string& method, const string& extra);
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void _warn(const string& warning, const string& method, const string& extra);
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//! @endcond
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@ -266,8 +264,7 @@ void warn(const string& warning, const string& method,
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* @param args arguments for the format string
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*/
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template <typename... Args>
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void warn_user(const string& method, const string& msg,
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const Args&... args) {
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void warn_user(const string& method, const string& msg, const Args&... args) {
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if (sizeof...(args) == 0) {
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_warn("Cantera", method, msg);
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} else {
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@ -25,8 +25,7 @@ namespace Cantera
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* @param fmt Format to be used (printf style) for each element
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* @param sep Separator
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*/
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string vec2str(const vector<double>& v, const string& fmt="%g",
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const string& sep=", ");
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string vec2str(const vector<double>& v, const string& fmt="%g", const string& sep=", ");
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//! Strip non-printing characters wherever they are
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/*!
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@ -79,8 +79,7 @@ inline double dot5(const V& x, const V& y)
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* @return The return is hard-coded to return a double.
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*/
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template<class InputIter, class InputIter2>
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inline double dot(InputIter x_begin, InputIter x_end,
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InputIter2 y_begin)
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inline double dot(InputIter x_begin, InputIter x_end, InputIter2 y_begin)
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{
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return std::inner_product(x_begin, x_end, y_begin, 0.0);
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}
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@ -1512,8 +1512,7 @@ protected:
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* @return 0.0 if the stoichiometries are not multiples of one another
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* Otherwise, it returns the ratio of the stoichiometric coefficients.
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*/
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double checkDuplicateStoich(map<int, double>& r1,
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map<int, double>& r2) const;
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double checkDuplicateStoich(map<int, double>& r1, map<int, double>& r2) const;
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//! @name Stoichiometry management
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//!
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@ -327,8 +327,7 @@ unique_ptr<Reaction> newReaction(const AnyMap& rxn_node,
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//! Create Reaction objects for each item (an AnyMap) in `items`. The species
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//! involved in these reactions must exist in the phases associated with the
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//! Kinetics object `kinetics`.
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vector<shared_ptr<Reaction>> getReactions(const AnyValue& items,
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Kinetics& kinetics);
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vector<shared_ptr<Reaction>> getReactions(const AnyValue& items, Kinetics& kinetics);
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//! Parse reaction equation
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void parseReactionEquation(Reaction& R, const string& equation,
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@ -95,8 +95,7 @@ public:
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* Add a reaction to the path. Increment the flow from this reaction, the
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* total flow, and the flow associated with this label.
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*/
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void addReaction(size_t rxnNumber, double value,
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const string& label = "");
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void addReaction(size_t rxnNumber, double value, const string& label = "");
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//! Upstream node.
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const SpeciesNode* begin() const {
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@ -363,31 +363,27 @@ public:
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}
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}
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void incrementSpecies(const double* input,
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double* output) const {
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void incrementSpecies(const double* input, double* output) const {
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double x = input[m_rxn];
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for (size_t n = 0; n < m_n; n++) {
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output[m_ic[n]] += m_stoich[n]*x;
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}
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}
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void decrementSpecies(const double* input,
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double* output) const {
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void decrementSpecies(const double* input, double* output) const {
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double x = input[m_rxn];
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for (size_t n = 0; n < m_n; n++) {
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output[m_ic[n]] -= m_stoich[n]*x;
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}
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}
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void incrementReaction(const double* input,
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double* output) const {
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void incrementReaction(const double* input, double* output) const {
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for (size_t n = 0; n < m_n; n++) {
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output[m_rxn] += m_stoich[n]*input[m_ic[n]];
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}
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}
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void decrementReaction(const double* input,
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double* output) const {
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void decrementReaction(const double* input, double* output) const {
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for (size_t n = 0; n < m_n; n++) {
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output[m_rxn] -= m_stoich[n]*input[m_ic[n]];
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}
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@ -677,7 +673,7 @@ public:
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void add(size_t rxn, const vector<size_t>& k, const vector<double>& order,
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const vector<double>& stoich) {
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if (order.size() != k.size()) {
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throw CanteraError(\
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throw CanteraError(
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"StoichManagerN::add()", "size of order and species arrays differ");
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}
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if (stoich.size() != k.size()) {
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@ -35,8 +35,7 @@ namespace Cantera
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* @returns the value of of the interpolated function at x.
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* @ingroup mathUtils
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*/
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double linearInterp(double x, const vector<double>& xpts,
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const vector<double>& fpts);
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double linearInterp(double x, const vector<double>& xpts, const vector<double>& fpts);
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//! Numerical integration of a function using the trapezoidal rule.
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/*!
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@ -322,8 +322,7 @@ public:
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* @param[in] rdt Reciprocal of the timestep (`rdt=0` implies steady-
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* state.)
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*/
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virtual void eval(size_t j, double* x, double* r,
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integer* mask, double rdt=0.0) {
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virtual void eval(size_t j, double* x, double* r, integer* mask, double rdt=0.0) {
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throw NotImplementedError("Domain1D::eval");
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}
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@ -34,8 +34,7 @@ public:
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//! Compute the undamped Newton step. The residual function is evaluated
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//! at `x`, but the Jacobian is not recomputed.
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void step(double* x, double* step,
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OneDim& r, MultiJac& jac, int loglevel);
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void step(double* x, double* step, OneDim& r, MultiJac& jac, int loglevel);
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/**
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* Return the factor by which the undamped Newton step 'step0'
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@ -52,9 +51,8 @@ public:
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* successful, the new solution after taking the damped step is returned in
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* x1, and the undamped step at x1 is returned in step1.
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*/
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int dampStep(const double* x0, const double* step0,
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double* x1, double* step1, double& s1,
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OneDim& r, MultiJac& jac, int loglevel, bool writetitle);
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int dampStep(const double* x0, const double* step0, double* x1, double* step1,
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double& s1, OneDim& r, MultiJac& jac, int loglevel, bool writetitle);
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//! Compute the weighted 2-norm of `step`.
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double norm2(const double* x, const double* step, OneDim& r) const;
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* @param loglevel Level of diagnostic output
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* @deprecated To be removed after %Cantera 3.0; loglevel is deprecated.
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*/
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void save(const string& fname, const string& id,
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const string& desc, int loglevel);
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void save(const string& fname, const string& id, const string& desc, int loglevel);
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/**
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* Save current simulation data to a container file or CSV format.
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@ -168,9 +167,8 @@ public:
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* if not specified (default=""), the native basis of the underlying
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* ThermoPhase manager is used - @see nativeState (CSV only)
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*/
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void save(const string& fname, const string& name,
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const string& desc, bool overwrite=false, int compression=0,
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const string& basis="");
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void save(const string& fname, const string& name, const string& desc,
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bool overwrite=false, int compression=0, const string& basis="");
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/**
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* Save the residual of the current solution to a container file.
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@ -80,20 +80,16 @@ public:
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* - m_t[0] = tt;
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*
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*/
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void updateProperties(const double* tt,
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double* cp_R, double* h_RT,
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void updateProperties(const double* tt, double* cp_R, double* h_RT,
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double* s_R) const;
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void updatePropertiesTemp(const double temp,
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double* cp_R, double* h_RT,
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void updatePropertiesTemp(const double temp, double* cp_R, double* h_RT,
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double* s_R) const;
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size_t nCoeffs() const { return 4; }
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void reportParameters(size_t& n, int& type,
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double& tlow, double& thigh,
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double& pref,
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double* const coeffs) const;
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void reportParameters(size_t& n, int& type, double& tlow, double& thigh,
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double& pref, double* const coeffs) const;
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virtual void getParameters(AnyMap& thermo) const;
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@ -422,8 +422,7 @@ public:
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* If blank, an empty phase will be created.
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* @param id id attribute containing the name of the phase.
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*/
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explicit DebyeHuckel(const string& inputFile="",
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const string& id="");
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explicit DebyeHuckel(const string& inputFile="", const string& id="");
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//! @name Utilities
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//! @{
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@ -623,8 +622,7 @@ public:
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virtual bool addSpecies(shared_ptr<Species> spec);
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virtual void initThermo();
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virtual void getParameters(AnyMap& phaseNode) const;
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virtual void getSpeciesParameters(const string& name,
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AnyMap& speciesNode) const;
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virtual void getSpeciesParameters(const string& name, AnyMap& speciesNode) const;
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//! Return the Debye Huckel constant as a function of temperature
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//! and pressure (Units = sqrt(kg/gmol))
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@ -258,8 +258,7 @@ public:
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* @param id ID of the phase in the input file. Defaults to the
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* empty string.
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*/
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explicit IdealGasPhase(const string& inputFile="",
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const string& id="");
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explicit IdealGasPhase(const string& inputFile="", const string& id="");
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virtual string type() const {
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return "ideal-gas";
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@ -76,8 +76,7 @@ public:
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* about the phase. If blank, an empty phase will be created.
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* @param id id of the phase within the input file
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*/
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explicit IdealMolalSoln(const string& inputFile="",
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const string& id="");
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explicit IdealMolalSoln(const string& inputFile="", const string& id="");
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virtual string type() const {
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return "ideal-molal-solution";
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@ -53,8 +53,7 @@ public:
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* @param id The name of this phase. This is used to look up
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* the phase in the input file.
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*/
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explicit IdealSolidSolnPhase(const string& infile="",
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const string& id="");
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explicit IdealSolidSolnPhase(const string& infile="", const string& id="");
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virtual string type() const {
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return "ideal-condensed";
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@ -526,8 +525,7 @@ public:
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virtual bool addSpecies(shared_ptr<Species> spec);
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virtual void initThermo();
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virtual void getParameters(AnyMap& phaseNode) const;
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virtual void getSpeciesParameters(const string& name,
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AnyMap& speciesNode) const;
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virtual void getSpeciesParameters(const string& name, AnyMap& speciesNode) const;
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virtual void setToEquilState(const double* mu_RT);
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//! Set the form for the standard and generalized concentrations
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|
@ -79,8 +79,7 @@ public:
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* @param id name (ID) of the phase in the input file. If empty, the
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* first phase definition in the input file will be used.
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*/
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explicit IonsFromNeutralVPSSTP(const string& inputFile="",
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const string& id="");
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explicit IonsFromNeutralVPSSTP(const string& inputFile="", const string& id="");
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//! @}
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//! @name Utilities
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@ -179,7 +178,8 @@ public:
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* This is the mapping between ion species and neutral molecule for
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* quick invert.
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*/
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void getDissociationCoeffs(vector<double>& fm_neutralMolec_ions, vector<double>& charges, vector<size_t>& neutMolIndex) const;
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void getDissociationCoeffs(vector<double>& fm_neutralMolec_ions,
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vector<double>& charges, vector<size_t>& neutMolIndex) const;
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//! Return the current value of the neutral mole fraction vector
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/*!
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|
@ -553,8 +553,7 @@ public:
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virtual void initThermo();
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virtual void getParameters(AnyMap& phaseNode) const;
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virtual void getSpeciesParameters(const string& name,
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AnyMap& speciesNode) const;
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virtual void getSpeciesParameters(const string& name, AnyMap& speciesNode) const;
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//! @}
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|
@ -435,8 +435,7 @@ public:
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const AnyMap& rootNode=AnyMap());
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virtual void initThermo();
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virtual void getParameters(AnyMap& phaseNode) const;
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virtual void getSpeciesParameters(const string& name,
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AnyMap& speciesNode) const;
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virtual void getSpeciesParameters(const string& name, AnyMap& speciesNode) const;
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//! Set the Lattice mole fractions using a string
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/*!
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|
@ -221,8 +221,7 @@ public:
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* @param id name (ID) of the phase in the input file. If empty, the
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* first phase definition in the input file will be used.
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*/
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explicit MargulesVPSSTP(const string& inputFile="",
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const string& id="");
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explicit MargulesVPSSTP(const string& inputFile="", const string& id="");
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virtual string type() const {
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return "Margules";
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@ -360,7 +359,8 @@ public:
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//! @name Derivatives of Thermodynamic Variables needed for Applications
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//! @{
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virtual void getdlnActCoeffds(const double dTds, const double* const dXds, double* dlnActCoeffds) const;
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virtual void getdlnActCoeffds(const double dTds, const double* const dXds,
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double* dlnActCoeffds) const;
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virtual void getdlnActCoeffdlnX_diag(double* dlnActCoeffdlnX_diag) const;
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virtual void getdlnActCoeffdlnN_diag(double* dlnActCoeffdlnN_diag) const;
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virtual void getdlnActCoeffdlnN(const size_t ld, double* const dlnActCoeffdlnN);
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|
@ -507,8 +507,7 @@ public:
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* @param molalities Input vector of molalities of the solutes.
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* Length: m_kk.
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*/
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void setState_TPM(double t, double p,
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const double* const molalities);
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void setState_TPM(double t, double p, const double* const molalities);
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//! Set the temperature (K), pressure (Pa), and molalities.
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/*!
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|
@ -119,8 +119,7 @@ public:
|
||||
* Temperature Polynomial:
|
||||
* tt[0] = temp (Kelvin)
|
||||
*/
|
||||
virtual void updateProperties(const double* tt,
|
||||
double* cp_R, double* h_RT,
|
||||
virtual void updateProperties(const double* tt, double* cp_R, double* h_RT,
|
||||
double* s_R) const;
|
||||
|
||||
virtual void updatePropertiesTemp(const double temp,
|
||||
@ -130,10 +129,8 @@ public:
|
||||
|
||||
virtual size_t nCoeffs() const;
|
||||
|
||||
virtual void reportParameters(size_t& n, int& type,
|
||||
double& tlow, double& thigh,
|
||||
double& pref,
|
||||
double* const coeffs) const;
|
||||
virtual void reportParameters(size_t& n, int& type, double& tlow, double& thigh,
|
||||
double& pref, double* const coeffs) const;
|
||||
|
||||
virtual void getParameters(AnyMap& thermo) const;
|
||||
|
||||
|
@ -94,8 +94,7 @@ public:
|
||||
* @param h_RT Vector of Dimensionless enthalpies. (length m_kk).
|
||||
* @param s_R Vector of Dimensionless entropies. (length m_kk).
|
||||
*/
|
||||
virtual void update(double T, double* cp_R,
|
||||
double* h_RT, double* s_R) const;
|
||||
virtual void update(double T, double* cp_R, double* h_RT, double* s_R) const;
|
||||
|
||||
//! Minimum temperature.
|
||||
/*!
|
||||
@ -149,11 +148,8 @@ public:
|
||||
* @param maxTemp output - Maximum temperature
|
||||
* @param refPressure output - reference pressure (Pa).
|
||||
*/
|
||||
virtual void reportParams(size_t index, int& type,
|
||||
double* const c,
|
||||
double& minTemp,
|
||||
double& maxTemp,
|
||||
double& refPressure) const;
|
||||
virtual void reportParams(size_t index, int& type, double* const c, double& minTemp,
|
||||
double& maxTemp, double& refPressure) const;
|
||||
|
||||
//! Report the 298 K Heat of Formation of the standard state of one species
|
||||
//! (J kmol-1)
|
||||
|
@ -97,8 +97,7 @@ public:
|
||||
virtual void updateProperties(const double* tt,
|
||||
double* cp_R, double* h_RT, double* s_R) const;
|
||||
|
||||
virtual void updatePropertiesTemp(const double temp,
|
||||
double* cp_R, double* h_RT,
|
||||
virtual void updatePropertiesTemp(const double temp, double* cp_R, double* h_RT,
|
||||
double* s_R) const;
|
||||
|
||||
//! This utility function reports back the type of parameterization and all
|
||||
@ -119,10 +118,8 @@ public:
|
||||
* - coeffs[2] is max temperature
|
||||
* - coeffs[3+i] from i =0,9 are the coefficients themselves
|
||||
*/
|
||||
virtual void reportParameters(size_t& n, int& type,
|
||||
double& tlow, double& thigh,
|
||||
double& pref,
|
||||
double* const coeffs) const;
|
||||
virtual void reportParameters(size_t& n, int& type, double& tlow, double& thigh,
|
||||
double& pref, double* const coeffs) const;
|
||||
|
||||
virtual void getParameters(AnyMap& thermo) const;
|
||||
|
||||
|
@ -82,12 +82,10 @@ public:
|
||||
virtual void updateTemperaturePoly(double T, double* T_poly) const;
|
||||
|
||||
//! @copydoc Nasa9Poly1::updateProperties
|
||||
virtual void updateProperties(const double* tt,
|
||||
double* cp_R, double* h_RT,
|
||||
virtual void updateProperties(const double* tt, double* cp_R, double* h_RT,
|
||||
double* s_R) const;
|
||||
|
||||
virtual void updatePropertiesTemp(const double temp,
|
||||
double* cp_R, double* h_RT,
|
||||
virtual void updatePropertiesTemp(const double temp, double* cp_R, double* h_RT,
|
||||
double* s_R) const;
|
||||
|
||||
virtual size_t nCoeffs() const;
|
||||
@ -111,10 +109,8 @@ public:
|
||||
* coeffs[index+1] = maxTempZone
|
||||
* coeffs[index+2+i] from i =0,9 are the coefficients themselves
|
||||
*/
|
||||
virtual void reportParameters(size_t& n, int& type,
|
||||
double& tlow, double& thigh,
|
||||
double& pref,
|
||||
double* const coeffs) const;
|
||||
virtual void reportParameters(size_t& n, int& type, double& tlow, double& thigh,
|
||||
double& pref, double* const coeffs) const;
|
||||
|
||||
virtual void getParameters(AnyMap& thermo) const;
|
||||
|
||||
|
@ -121,18 +121,15 @@ public:
|
||||
*s_R = s;
|
||||
}
|
||||
|
||||
virtual void updatePropertiesTemp(const double temp,
|
||||
double* cp_R, double* h_RT,
|
||||
virtual void updatePropertiesTemp(const double temp, double* cp_R, double* h_RT,
|
||||
double* s_R) const {
|
||||
double tPoly[6];
|
||||
updateTemperaturePoly(temp, tPoly);
|
||||
updateProperties(tPoly, cp_R, h_RT, s_R);
|
||||
}
|
||||
|
||||
virtual void reportParameters(size_t& n, int& type,
|
||||
double& tlow, double& thigh,
|
||||
double& pref,
|
||||
double* const coeffs) const {
|
||||
virtual void reportParameters(size_t& n, int& type, double& tlow, double& thigh,
|
||||
double& pref, double* const coeffs) const {
|
||||
n = 0;
|
||||
type = NASA1;
|
||||
tlow = m_lowT;
|
||||
|
@ -60,8 +60,7 @@ public:
|
||||
* coeffs]. This is the coefficient order used in the
|
||||
* standard NASA format.
|
||||
*/
|
||||
NasaPoly2(double tlow, double thigh, double pref,
|
||||
const double* coeffs) :
|
||||
NasaPoly2(double tlow, double thigh, double pref, const double* coeffs) :
|
||||
SpeciesThermoInterpType(tlow, thigh, pref),
|
||||
m_midT(coeffs[0]),
|
||||
mnp_low(tlow, coeffs[0], pref, coeffs + 8),
|
||||
@ -125,10 +124,8 @@ public:
|
||||
|
||||
size_t nCoeffs() const { return 15; }
|
||||
|
||||
void reportParameters(size_t& n, int& type,
|
||||
double& tlow, double& thigh,
|
||||
double& pref,
|
||||
double* const coeffs) const {
|
||||
void reportParameters(size_t& n, int& type, double& tlow, double& thigh,
|
||||
double& pref, double* const coeffs) const {
|
||||
mnp_high.reportParameters(n, type, coeffs[0], thigh, pref, coeffs + 1);
|
||||
mnp_low.reportParameters(n, type, tlow, coeffs[0], pref, coeffs + 8);
|
||||
type = NASA2;
|
||||
|
@ -28,8 +28,7 @@ public:
|
||||
* @param id ID of the phase in the input file. If empty, the
|
||||
* first phase definition in the input file will be used.
|
||||
*/
|
||||
explicit PengRobinson(const string& infile="",
|
||||
const string& id="");
|
||||
explicit PengRobinson(const string& infile="", const string& id="");
|
||||
|
||||
virtual string type() const {
|
||||
return "Peng-Robinson";
|
||||
@ -154,8 +153,7 @@ public:
|
||||
|
||||
virtual bool addSpecies(shared_ptr<Species> spec);
|
||||
virtual void initThermo();
|
||||
virtual void getSpeciesParameters(const string& name,
|
||||
AnyMap& speciesNode) const;
|
||||
virtual void getSpeciesParameters(const string& name, AnyMap& speciesNode) const;
|
||||
|
||||
//! Set the pure fluid interaction parameters for a species
|
||||
/*!
|
||||
|
@ -69,8 +69,7 @@ public:
|
||||
* @param id ID of the phase in the input file. Defaults to the
|
||||
* empty string.
|
||||
*/
|
||||
explicit PlasmaPhase(const string& inputFile="",
|
||||
const string& id="");
|
||||
explicit PlasmaPhase(const string& inputFile="", const string& id="");
|
||||
|
||||
virtual string type() const {
|
||||
return "plasma";
|
||||
|
@ -239,8 +239,7 @@ public:
|
||||
* @param id name (ID) of the phase in the input file. If empty, the
|
||||
* first phase definition in the input file will be used.
|
||||
*/
|
||||
explicit RedlichKisterVPSSTP(const string& inputFile="",
|
||||
const string& id="");
|
||||
explicit RedlichKisterVPSSTP(const string& inputFile="", const string& id="");
|
||||
|
||||
virtual string type() const {
|
||||
return "Redlich-Kister";
|
||||
@ -365,7 +364,8 @@ public:
|
||||
//! @name Derivatives of Thermodynamic Variables needed for Applications
|
||||
//! @{
|
||||
|
||||
virtual void getdlnActCoeffds(const double dTds, const double* const dXds, double* dlnActCoeffds) const;
|
||||
virtual void getdlnActCoeffds(const double dTds, const double* const dXds,
|
||||
double* dlnActCoeffds) const;
|
||||
virtual void getdlnActCoeffdlnX_diag(double* dlnActCoeffdlnX_diag) const;
|
||||
virtual void getdlnActCoeffdlnN_diag(double* dlnActCoeffdlnN_diag) const;
|
||||
virtual void getdlnActCoeffdlnN(const size_t ld, double* const dlnActCoeffdlnN);
|
||||
|
@ -26,8 +26,7 @@ public:
|
||||
* @param id name (ID) of the phase in the input file. If empty, the
|
||||
* first phase definition in the input file will be used.
|
||||
*/
|
||||
explicit RedlichKwongMFTP(const string& infile="",
|
||||
const string& id="");
|
||||
explicit RedlichKwongMFTP(const string& infile="", const string& id="");
|
||||
|
||||
virtual string type() const {
|
||||
return "Redlich-Kwong";
|
||||
@ -123,8 +122,7 @@ public:
|
||||
|
||||
virtual bool addSpecies(shared_ptr<Species> spec);
|
||||
virtual void initThermo();
|
||||
virtual void getSpeciesParameters(const string& name,
|
||||
AnyMap& speciesNode) const;
|
||||
virtual void getSpeciesParameters(const string& name, AnyMap& speciesNode) const;
|
||||
|
||||
//! Set the pure fluid interaction parameters for a species
|
||||
/*!
|
||||
|
@ -122,8 +122,7 @@ public:
|
||||
* - `t[4] = log(t)`
|
||||
* - `t[5] = 1.0/t;
|
||||
*/
|
||||
virtual void updateProperties(const double* tt,
|
||||
double* cp_R, double* h_RT,
|
||||
virtual void updateProperties(const double* tt, double* cp_R, double* h_RT,
|
||||
double* s_R) const {
|
||||
double A = m_coeff[0];
|
||||
double Bt = m_coeff[1]*tt[0];
|
||||
@ -138,18 +137,15 @@ public:
|
||||
*s_R = A*tt[4] + Bt + 0.5*Ct2 + 1.0/3.0*Dt3 - 0.5*Etm2 + G;
|
||||
}
|
||||
|
||||
virtual void updatePropertiesTemp(const double temp,
|
||||
double* cp_R, double* h_RT,
|
||||
virtual void updatePropertiesTemp(const double temp, double* cp_R, double* h_RT,
|
||||
double* s_R) const {
|
||||
double tPoly[6];
|
||||
updateTemperaturePoly(temp, tPoly);
|
||||
updateProperties(tPoly, cp_R, h_RT, s_R);
|
||||
}
|
||||
|
||||
virtual void reportParameters(size_t& n, int& type,
|
||||
double& tlow, double& thigh,
|
||||
double& pref,
|
||||
double* const coeffs) const {
|
||||
virtual void reportParameters(size_t& n, int& type, double& tlow, double& thigh,
|
||||
double& pref, double* const coeffs) const {
|
||||
n = 0;
|
||||
type = SHOMATE;
|
||||
tlow = m_lowT;
|
||||
@ -295,8 +291,7 @@ public:
|
||||
}
|
||||
|
||||
//! @copydoc ShomatePoly::updateProperties
|
||||
virtual void updateProperties(const double* tt,
|
||||
double* cp_R, double* h_RT,
|
||||
virtual void updateProperties(const double* tt, double* cp_R, double* h_RT,
|
||||
double* s_R) const {
|
||||
double T = 1000 * tt[0];
|
||||
if (T <= m_midT) {
|
||||
@ -319,10 +314,8 @@ public:
|
||||
|
||||
virtual size_t nCoeffs() const { return 15; }
|
||||
|
||||
virtual void reportParameters(size_t& n, int& type,
|
||||
double& tlow, double& thigh,
|
||||
double& pref,
|
||||
double* const coeffs) const {
|
||||
virtual void reportParameters(size_t& n, int& type, double& tlow, double& thigh,
|
||||
double& pref, double* const coeffs) const {
|
||||
msp_low.reportParameters(n, type, tlow, coeffs[0], pref, coeffs + 1);
|
||||
msp_high.reportParameters(n, type, coeffs[0], thigh, pref, coeffs + 8);
|
||||
type = SHOMATE2;
|
||||
|
@ -185,8 +185,7 @@ public:
|
||||
* @param h_RT Vector of Dimensionless enthalpies. (length m_kk).
|
||||
* @param s_R Vector of Dimensionless entropies. (length m_kk).
|
||||
*/
|
||||
virtual void updateProperties(const double* tt,
|
||||
double* cp_R, double* h_RT,
|
||||
virtual void updateProperties(const double* tt, double* cp_R, double* h_RT,
|
||||
double* s_R) const;
|
||||
|
||||
//! Compute the reference-state property of one species
|
||||
@ -222,9 +221,8 @@ public:
|
||||
* @param coeffs Vector of coefficients used to set the
|
||||
* parameters for the standard state.
|
||||
*/
|
||||
virtual void reportParameters(size_t& index, int& type,
|
||||
double& minTemp, double& maxTemp,
|
||||
double& refPressure,
|
||||
virtual void reportParameters(size_t& index, int& type, double& minTemp,
|
||||
double& maxTemp, double& refPressure,
|
||||
double* const coeffs) const;
|
||||
|
||||
//! Return the parameters of the species thermo object such that an
|
||||
|
@ -96,8 +96,7 @@ public:
|
||||
* @param id name of the phase id in the file.
|
||||
* If this is blank, the first phase in the file is used.
|
||||
*/
|
||||
explicit StoichSubstance(const string& infile="",
|
||||
const string& id="");
|
||||
explicit StoichSubstance(const string& infile="", const string& id="");
|
||||
|
||||
virtual string type() const {
|
||||
return "fixed-stoichiometry";
|
||||
@ -225,8 +224,7 @@ public:
|
||||
//! @}
|
||||
|
||||
virtual void initThermo();
|
||||
virtual void getSpeciesParameters(const string& name,
|
||||
AnyMap& speciesNode) const;
|
||||
virtual void getSpeciesParameters(const string& name, AnyMap& speciesNode) const;
|
||||
};
|
||||
|
||||
}
|
||||
|
@ -1424,8 +1424,7 @@ private:
|
||||
* are being calculated.
|
||||
* @param doUV True if solving for UV, false for HP.
|
||||
*/
|
||||
void setState_HPorUV(double h, double p,
|
||||
double tol=1e-9, bool doUV = false);
|
||||
void setState_HPorUV(double h, double p, double tol=1e-9, bool doUV = false);
|
||||
|
||||
//! Carry out work in SP and SV calculations.
|
||||
/*!
|
||||
@ -1688,8 +1687,7 @@ public:
|
||||
* @param name Name of the species
|
||||
* @param speciesNode Mapping to be populated with parameters
|
||||
*/
|
||||
virtual void getSpeciesParameters(const string& name,
|
||||
AnyMap& speciesNode) const {}
|
||||
virtual void getSpeciesParameters(const string& name, AnyMap& speciesNode) const {}
|
||||
|
||||
//! Access input data associated with the phase description
|
||||
const AnyMap& input() const;
|
||||
|
@ -73,8 +73,7 @@ public:
|
||||
* @param inputFile String name of the input file
|
||||
* @param id string id of the phase name
|
||||
*/
|
||||
explicit WaterSSTP(const string& inputFile="",
|
||||
const string& id="");
|
||||
explicit WaterSSTP(const string& inputFile="", const string& id="");
|
||||
|
||||
virtual string type() const {
|
||||
return "liquid-water-IAPWS95";
|
||||
|
@ -81,9 +81,8 @@ public:
|
||||
*
|
||||
* @param fluxes Vector of species molar fluxes due to diffusional driving force
|
||||
*/
|
||||
virtual void getMolarFluxes(const double* const state1,
|
||||
const double* const state2, const double delta,
|
||||
double* const fluxes);
|
||||
virtual void getMolarFluxes(const double* const state1, const double* const state2,
|
||||
const double delta, double* const fluxes);
|
||||
|
||||
// new methods added in this class
|
||||
|
||||
|
@ -102,8 +102,7 @@ public:
|
||||
* @param delta Distance from state 1 to state 2 (m).
|
||||
* @param fluxes Output mass fluxes of the species. (length = m_nsp)
|
||||
*/
|
||||
virtual void getMassFluxes(const double* state1,
|
||||
const double* state2, double delta,
|
||||
virtual void getMassFluxes(const double* state1, const double* state2, double delta,
|
||||
double* fluxes);
|
||||
|
||||
virtual void init(ThermoPhase* thermo, int mode=0, int log_level=0);
|
||||
|
@ -55,7 +55,8 @@ public:
|
||||
* @param thermo ThermoPhase object
|
||||
* @param log_level log level
|
||||
*/
|
||||
virtual Transport* newTransport(const string& model, ThermoPhase* thermo, int log_level=0);
|
||||
virtual Transport* newTransport(const string& model, ThermoPhase* thermo,
|
||||
int log_level=0);
|
||||
|
||||
//! Build a new transport manager using the default transport manager
|
||||
//! in the phase description and return a base class pointer to it
|
||||
|
@ -250,8 +250,7 @@ public:
|
||||
//! coefficient
|
||||
//! @returns the index of this parameter in the vector of sensitivity
|
||||
//! parameters (global across all reactors)
|
||||
size_t registerSensitivityParameter(const string& name, double value,
|
||||
double scale);
|
||||
size_t registerSensitivityParameter(const string& name, double value, double scale);
|
||||
|
||||
//! The name of the p-th sensitivity parameter added to this ReactorNet.
|
||||
const string& sensitivityParameterName(size_t p) const {
|
||||
|
@ -23,8 +23,7 @@ using namespace Cantera;
|
||||
using std::cout;
|
||||
using std::endl;
|
||||
|
||||
void write_csv(const string& name, const vector<string>& names,
|
||||
const Array2D& data)
|
||||
void write_csv(const string& name, const vector<string>& names, const Array2D& data)
|
||||
{
|
||||
std::ofstream s(name);
|
||||
for (size_t i = 0; i < data.nRows(); i++) {
|
||||
|
@ -95,8 +95,7 @@ void timeit_matrix(Eigen::SparseMatrix<double> (Kinetics::*function)(),
|
||||
statistics(times, loops, runs);
|
||||
}
|
||||
|
||||
void benchmark(const string& mech, const string& phase,
|
||||
const string& fuel)
|
||||
void benchmark(const string& mech, const string& phase, const string& fuel)
|
||||
{
|
||||
auto sol = newSolution(mech, phase, "none");
|
||||
auto& gas = *(sol->thermo());
|
||||
|
@ -973,8 +973,7 @@ AnyValue& AnyValue::operator=(AnyMap&& value) {
|
||||
return *this;
|
||||
}
|
||||
|
||||
std::unordered_map<string, const AnyMap*> AnyValue::asMap(
|
||||
const string& name) const
|
||||
std::unordered_map<string, const AnyMap*> AnyValue::asMap(const string& name) const
|
||||
{
|
||||
std::unordered_map<string, const AnyMap*> mapped;
|
||||
for (const auto& item : asVector<AnyMap>()) {
|
||||
@ -1032,8 +1031,7 @@ const AnyMap& AnyValue::getMapWhere(const string& key, const string& value) cons
|
||||
}
|
||||
}
|
||||
|
||||
AnyMap& AnyValue::getMapWhere(const string& key, const string& value,
|
||||
bool create)
|
||||
AnyMap& AnyValue::getMapWhere(const string& key, const string& value, bool create)
|
||||
{
|
||||
if (is<vector<AnyMap>>()) {
|
||||
if (value == "") {
|
||||
@ -1529,8 +1527,7 @@ long int AnyMap::getInt(const string& key, long int default_) const
|
||||
return (hasKey(key)) ? m_data.at(key).asInt() : default_;
|
||||
}
|
||||
|
||||
const string& AnyMap::getString(const string& key,
|
||||
const string& default_) const
|
||||
const string& AnyMap::getString(const string& key, const string& default_) const
|
||||
{
|
||||
return (hasKey(key)) ? m_data.at(key).asString() : default_;
|
||||
}
|
||||
@ -1556,7 +1553,7 @@ double AnyMap::convert(const string& key, const string& dest,
|
||||
}
|
||||
|
||||
vector<double> AnyMap::convertVector(const string& key, const string& dest,
|
||||
size_t nMin, size_t nMax) const
|
||||
size_t nMin, size_t nMax) const
|
||||
{
|
||||
return units().convert(at(key).asVector<AnyValue>(nMin, nMax), dest);
|
||||
}
|
||||
@ -1771,8 +1768,7 @@ AnyMap AnyMap::fromYamlString(const string& yaml) {
|
||||
return amap;
|
||||
}
|
||||
|
||||
AnyMap AnyMap::fromYamlFile(const string& name,
|
||||
const string& parent_name)
|
||||
AnyMap AnyMap::fromYamlFile(const string& name, const string& parent_name)
|
||||
{
|
||||
string fullName;
|
||||
// See if a file with this name exists in a path relative to the parent file
|
||||
@ -1885,9 +1881,8 @@ void formatInputFile(fmt::memory_buffer& b, const shared_ptr<AnyMap>& metadata,
|
||||
}
|
||||
}
|
||||
|
||||
string InputFileError::formatError(const string& message,
|
||||
int lineno, int column,
|
||||
const shared_ptr<AnyMap>& metadata)
|
||||
string InputFileError::formatError(const string& message, int lineno, int column,
|
||||
const shared_ptr<AnyMap>& metadata)
|
||||
{
|
||||
if (!metadata) {
|
||||
return message;
|
||||
@ -1900,11 +1895,10 @@ string InputFileError::formatError(const string& message,
|
||||
return to_string(b);
|
||||
}
|
||||
|
||||
string InputFileError::formatError2(const string& message,
|
||||
int line1, int column1,
|
||||
const shared_ptr<AnyMap>& metadata1,
|
||||
int line2, int column2,
|
||||
const shared_ptr<AnyMap>& metadata2)
|
||||
string InputFileError::formatError2(const string& message, int line1, int column1,
|
||||
const shared_ptr<AnyMap>& metadata1,
|
||||
int line2, int column2,
|
||||
const shared_ptr<AnyMap>& metadata2)
|
||||
{
|
||||
if (!metadata1 || !metadata2) {
|
||||
return message;
|
||||
@ -1929,8 +1923,7 @@ string InputFileError::formatError2(const string& message,
|
||||
return to_string(b);
|
||||
}
|
||||
|
||||
void warn_deprecated(const string& source, const AnyBase& node,
|
||||
const string& message)
|
||||
void warn_deprecated(const string& source, const AnyBase& node, const string& message)
|
||||
{
|
||||
if (!node.m_metadata) {
|
||||
warn_deprecated(source, message);
|
||||
|
@ -535,8 +535,7 @@ void UnitSystem::setDefaultActivationEnergy(const string& e_units)
|
||||
m_explicit_activation_energy = true;
|
||||
}
|
||||
|
||||
double UnitSystem::convert(double value, const string& src,
|
||||
const string& dest) const
|
||||
double UnitSystem::convert(double value, const string& src, const string& dest) const
|
||||
{
|
||||
return convert(value, Units(src), Units(dest));
|
||||
}
|
||||
@ -656,13 +655,13 @@ double UnitSystem::convertRateCoeff(const AnyValue& v, const Units& dest) const
|
||||
}
|
||||
|
||||
vector<double> UnitSystem::convert(const vector<AnyValue>& vals,
|
||||
const string& dest) const
|
||||
const string& dest) const
|
||||
{
|
||||
return convert(vals, Units(dest));
|
||||
}
|
||||
|
||||
vector<double> UnitSystem::convert(const vector<AnyValue>& vals,
|
||||
const Units& dest) const
|
||||
const Units& dest) const
|
||||
{
|
||||
vector<double> out;
|
||||
for (const auto& val : vals) {
|
||||
@ -703,8 +702,7 @@ double UnitSystem::convertActivationEnergy(double value, const string& src,
|
||||
return value;
|
||||
}
|
||||
|
||||
double UnitSystem::convertActivationEnergyTo(double value,
|
||||
const string& dest) const
|
||||
double UnitSystem::convertActivationEnergyTo(double value, const string& dest) const
|
||||
{
|
||||
return convertActivationEnergyTo(value, Units(dest));
|
||||
}
|
||||
@ -724,8 +722,7 @@ double UnitSystem::convertActivationEnergyTo(double value,
|
||||
}
|
||||
}
|
||||
|
||||
double UnitSystem::convertActivationEnergyFrom(double value,
|
||||
const string& src) const
|
||||
double UnitSystem::convertActivationEnergyFrom(double value, const string& src) const
|
||||
{
|
||||
Units usrc(src);
|
||||
if (usrc.convertible(Units("J/kmol"))) {
|
||||
@ -740,8 +737,7 @@ double UnitSystem::convertActivationEnergyFrom(double value,
|
||||
}
|
||||
}
|
||||
|
||||
double UnitSystem::convertActivationEnergy(const AnyValue& v,
|
||||
const string& dest) const
|
||||
double UnitSystem::convertActivationEnergy(const AnyValue& v, const string& dest) const
|
||||
{
|
||||
try {
|
||||
auto [value, units] = split_unit(v);
|
||||
|
@ -132,8 +132,7 @@ void Application::ApplicationDestroy()
|
||||
}
|
||||
}
|
||||
|
||||
void Application::warn_deprecated(const string& method,
|
||||
const string& extra)
|
||||
void Application::warn_deprecated(const string& method, const string& extra)
|
||||
{
|
||||
if (m_fatal_deprecation_warnings) {
|
||||
throw CanteraError(method, "Deprecated: " + extra);
|
||||
@ -144,9 +143,7 @@ void Application::warn_deprecated(const string& method,
|
||||
warnlog("Deprecation", fmt::format("{}: {}", method, extra));
|
||||
}
|
||||
|
||||
void Application::warn(const string& warning,
|
||||
const string& method,
|
||||
const string& extra)
|
||||
void Application::warn(const string& warning, const string& method, const string& extra)
|
||||
{
|
||||
if (m_fatal_warnings) {
|
||||
throw CanteraError(method, extra);
|
||||
|
@ -339,8 +339,7 @@ public:
|
||||
//! @param warning Warning type; see Logger::warn()
|
||||
//! @param method Name of method triggering the warning
|
||||
//! @param extra Additional information printed for the warning
|
||||
void warn(const string& warning,
|
||||
const string& method, const string& extra="");
|
||||
void warn(const string& warning, const string& method, const string& extra="");
|
||||
|
||||
//! Globally disable printing of (user) warnings. Used primarily to
|
||||
//! prevent certain tests from failing.
|
||||
|
@ -59,8 +59,7 @@ void _warn_deprecated(const string& method, const string& extra)
|
||||
app()->warn_deprecated(method, extra);
|
||||
}
|
||||
|
||||
void _warn(const string& warning,
|
||||
const string& method, const string& extra)
|
||||
void _warn(const string& warning, const string& method, const string& extra)
|
||||
{
|
||||
app()->warn(warning, method, extra);
|
||||
}
|
||||
|
@ -30,8 +30,7 @@ namespace ba = boost::algorithm;
|
||||
namespace Cantera
|
||||
{
|
||||
|
||||
string vec2str(const vector<double>& v, const string& fmt,
|
||||
const string& sep)
|
||||
string vec2str(const vector<double>& v, const string& fmt, const string& sep)
|
||||
{
|
||||
char buf[64];
|
||||
std::stringstream o;
|
||||
|
@ -163,8 +163,7 @@ void ChemEquil::update(const ThermoPhase& s)
|
||||
}
|
||||
}
|
||||
|
||||
int ChemEquil::setInitialMoles(ThermoPhase& s, vector<double>& elMoleGoal,
|
||||
int loglevel)
|
||||
int ChemEquil::setInitialMoles(ThermoPhase& s, vector<double>& elMoleGoal, int loglevel)
|
||||
{
|
||||
MultiPhase mp;
|
||||
mp.addPhase(&s, 1.0);
|
||||
@ -672,8 +671,8 @@ int ChemEquil::equilibrate(ThermoPhase& s, const char* XYstr,
|
||||
}
|
||||
|
||||
|
||||
int ChemEquil::dampStep(ThermoPhase& mix, vector<double>& oldx,
|
||||
double oldf, vector<double>& grad, vector<double>& step, vector<double>& x,
|
||||
int ChemEquil::dampStep(ThermoPhase& mix, vector<double>& oldx, double oldf,
|
||||
vector<double>& grad, vector<double>& step, vector<double>& x,
|
||||
double& f, vector<double>& elmols, double xval, double yval)
|
||||
{
|
||||
// Carry out a delta damping approach on the dimensionless element
|
||||
|
@ -238,8 +238,7 @@ void MultiPhase::getChemPotentials(double* mu) const
|
||||
}
|
||||
}
|
||||
|
||||
void MultiPhase::getValidChemPotentials(double not_mu,
|
||||
double* mu, bool standard) const
|
||||
void MultiPhase::getValidChemPotentials(double not_mu, double* mu, bool standard) const
|
||||
{
|
||||
updatePhases();
|
||||
// iterate over the phases
|
||||
@ -421,8 +420,7 @@ void MultiPhase::setState_TP(const double T, const double Pres)
|
||||
updatePhases();
|
||||
}
|
||||
|
||||
void MultiPhase::setState_TPMoles(const double T, const double Pres,
|
||||
const double* n)
|
||||
void MultiPhase::setState_TPMoles(const double T, const double Pres, const double* n)
|
||||
{
|
||||
m_temp = T;
|
||||
m_press = Pres;
|
||||
@ -469,9 +467,8 @@ double MultiPhase::volume() const
|
||||
return sum;
|
||||
}
|
||||
|
||||
double MultiPhase::equilibrate_MultiPhaseEquil(int XY, double err,
|
||||
int maxsteps, int maxiter,
|
||||
int loglevel)
|
||||
double MultiPhase::equilibrate_MultiPhaseEquil(int XY, double err, int maxsteps,
|
||||
int maxiter, int loglevel)
|
||||
{
|
||||
bool strt = false;
|
||||
double dta = 0.0;
|
||||
|
@ -152,8 +152,7 @@ MultiPhaseEquil::MultiPhaseEquil(MultiPhase* mix, bool start, int loglevel) : m_
|
||||
// has all non-zero mole numbers for the included species.
|
||||
}
|
||||
|
||||
double MultiPhaseEquil::equilibrate(int XY, double err,
|
||||
int maxsteps, int loglevel)
|
||||
double MultiPhaseEquil::equilibrate(int XY, double err, int maxsteps, int loglevel)
|
||||
{
|
||||
int i;
|
||||
m_iter = 0;
|
||||
@ -398,8 +397,7 @@ void MultiPhaseEquil::unsort(vector<double>& x)
|
||||
}
|
||||
}
|
||||
|
||||
void MultiPhaseEquil::step(double omega, vector<double>& deltaN,
|
||||
int loglevel)
|
||||
void MultiPhaseEquil::step(double omega, vector<double>& deltaN, int loglevel)
|
||||
{
|
||||
if (omega < 0.0) {
|
||||
throw CanteraError("MultiPhaseEquil::step","negative omega");
|
||||
|
@ -26,8 +26,7 @@ vcs_MultiPhaseEquil::vcs_MultiPhaseEquil(MultiPhase* mix, int printLvl) :
|
||||
{
|
||||
}
|
||||
|
||||
int vcs_MultiPhaseEquil::equilibrate_TV(int XY, double xtarget,
|
||||
int estimateEquil,
|
||||
int vcs_MultiPhaseEquil::equilibrate_TV(int XY, double xtarget, int estimateEquil,
|
||||
int printLvl, double err,
|
||||
int maxsteps, int loglevel)
|
||||
{
|
||||
@ -123,11 +122,9 @@ int vcs_MultiPhaseEquil::equilibrate_TV(int XY, double xtarget,
|
||||
"No convergence for V");
|
||||
}
|
||||
|
||||
int vcs_MultiPhaseEquil::equilibrate_HP(double Htarget,
|
||||
int XY, double Tlow, double Thigh,
|
||||
int estimateEquil,
|
||||
int printLvl, double err,
|
||||
int maxsteps, int loglevel)
|
||||
int vcs_MultiPhaseEquil::equilibrate_HP(double Htarget, int XY, double Tlow,
|
||||
double Thigh, int estimateEquil, int printLvl, double err, int maxsteps,
|
||||
int loglevel)
|
||||
{
|
||||
int maxiter = 100;
|
||||
int iSuccess;
|
||||
@ -239,11 +236,8 @@ int vcs_MultiPhaseEquil::equilibrate_HP(double Htarget,
|
||||
"No convergence for T");
|
||||
}
|
||||
|
||||
int vcs_MultiPhaseEquil::equilibrate_SP(double Starget,
|
||||
double Tlow, double Thigh,
|
||||
int estimateEquil,
|
||||
int printLvl, double err,
|
||||
int maxsteps, int loglevel)
|
||||
int vcs_MultiPhaseEquil::equilibrate_SP(double Starget, double Tlow, double Thigh,
|
||||
int estimateEquil, int printLvl, double err, int maxsteps, int loglevel)
|
||||
{
|
||||
int maxiter = 100;
|
||||
int strt = estimateEquil;
|
||||
@ -365,9 +359,8 @@ int vcs_MultiPhaseEquil::equilibrate_SP(double Starget,
|
||||
"No convergence for T");
|
||||
}
|
||||
|
||||
int vcs_MultiPhaseEquil::equilibrate(int XY, int estimateEquil,
|
||||
int printLvl, double err,
|
||||
int maxsteps, int loglevel)
|
||||
int vcs_MultiPhaseEquil::equilibrate(int XY, int estimateEquil, int printLvl,
|
||||
double err, int maxsteps, int loglevel)
|
||||
{
|
||||
double xtarget;
|
||||
if (XY == TP) {
|
||||
@ -410,8 +403,7 @@ int vcs_MultiPhaseEquil::equilibrate(int XY, int estimateEquil,
|
||||
}
|
||||
}
|
||||
|
||||
int vcs_MultiPhaseEquil::equilibrate_TP(int estimateEquil,
|
||||
int printLvl, double err,
|
||||
int vcs_MultiPhaseEquil::equilibrate_TP(int estimateEquil, int printLvl, double err,
|
||||
int maxsteps, int loglevel)
|
||||
{
|
||||
int maxit = maxsteps;
|
||||
|
@ -600,7 +600,8 @@ void vcs_VolPhase::setCreationMoleNumbers(const double* const n_k,
|
||||
}
|
||||
}
|
||||
|
||||
const vector<double>& vcs_VolPhase::creationMoleNumbers(vector<size_t> &creationGlobalRxnNumbers) const
|
||||
const vector<double>& vcs_VolPhase::creationMoleNumbers(
|
||||
vector<size_t> &creationGlobalRxnNumbers) const
|
||||
{
|
||||
creationGlobalRxnNumbers = creationGlobalRxnNumbers_;
|
||||
return creationMoleNumbers_;
|
||||
|
@ -23,7 +23,8 @@ namespace Cantera
|
||||
|
||||
namespace {
|
||||
|
||||
void printProgress(const vector<string>& spName, const vector<double>& soln, const vector<double>& ff)
|
||||
void printProgress(const vector<string>& spName, const vector<double>& soln,
|
||||
const vector<double>& ff)
|
||||
{
|
||||
double sum = 0.0;
|
||||
plogf(" --- Summary of current progress:\n");
|
||||
|
@ -36,8 +36,7 @@ void Group::validate()
|
||||
}
|
||||
}
|
||||
|
||||
std::ostream& Group::fmt(std::ostream& s,
|
||||
const vector<string>& esymbols) const
|
||||
std::ostream& Group::fmt(std::ostream& s, const vector<string>& esymbols) const
|
||||
{
|
||||
s << "(";
|
||||
bool first = true;
|
||||
|
@ -541,9 +541,8 @@ void InterfaceKinetics::resizeSpecies()
|
||||
m_phi.resize(nPhases(), 0.0);
|
||||
}
|
||||
|
||||
void InterfaceKinetics::advanceCoverages(double tstep, double rtol,
|
||||
double atol, double maxStepSize,
|
||||
size_t maxSteps, size_t maxErrTestFails)
|
||||
void InterfaceKinetics::advanceCoverages(double tstep, double rtol, double atol,
|
||||
double maxStepSize, size_t maxSteps, size_t maxErrTestFails)
|
||||
{
|
||||
if (m_integrator == 0) {
|
||||
vector<InterfaceKinetics*> k{this};
|
||||
|
@ -214,8 +214,7 @@ void InterfaceRateBase::getCoverageDependencies(AnyMap& dependencies,
|
||||
}
|
||||
}
|
||||
|
||||
void InterfaceRateBase::addCoverageDependence(const string& sp,
|
||||
double a, double m,
|
||||
void InterfaceRateBase::addCoverageDependence(const string& sp, double a, double m,
|
||||
const vector<double>& e)
|
||||
{
|
||||
if (std::find(m_cov.begin(), m_cov.end(), sp) == m_cov.end()) {
|
||||
|
@ -197,8 +197,7 @@ pair<size_t, size_t> Kinetics::checkDuplicates(bool throw_err) const
|
||||
return {npos, npos};
|
||||
}
|
||||
|
||||
double Kinetics::checkDuplicateStoich(map<int, double>& r1,
|
||||
map<int, double>& r2) const
|
||||
double Kinetics::checkDuplicateStoich(map<int, double>& r1, map<int, double>& r2) const
|
||||
{
|
||||
std::unordered_set<int> keys; // species keys (k+1 or -k-1)
|
||||
for (auto& [speciesKey, stoich] : r1) {
|
||||
@ -278,8 +277,7 @@ size_t Kinetics::kineticsSpeciesIndex(const string& nm) const
|
||||
return npos;
|
||||
}
|
||||
|
||||
size_t Kinetics::kineticsSpeciesIndex(const string& nm,
|
||||
const string& ph) const
|
||||
size_t Kinetics::kineticsSpeciesIndex(const string& nm, const string& ph) const
|
||||
{
|
||||
warn_deprecated("Kinetics::kineticsSpeciesIndex(species_name, phase_name)",
|
||||
"To be removed after Cantera 3.0. Use kineticsSpeciesIndex(species_name).\n"
|
||||
|
@ -155,8 +155,7 @@ shared_ptr<Kinetics> newKinetics(const vector<shared_ptr<ThermoPhase>>& phases,
|
||||
}
|
||||
|
||||
unique_ptr<Kinetics> newKinetics(const vector<ThermoPhase*>& phases,
|
||||
const string& filename,
|
||||
const string& phase_name)
|
||||
const string& filename, const string& phase_name)
|
||||
{
|
||||
warn_deprecated("newKinetics(vector<ThermoPhase*>&, const string&, const string&)",
|
||||
"To be removed after Cantera 3.0; superseded by\nnewKinetics"
|
||||
|
@ -973,8 +973,7 @@ void parseReactionEquation(Reaction& R, const string& equation,
|
||||
}
|
||||
}
|
||||
|
||||
vector<shared_ptr<Reaction>> getReactions(const AnyValue& items,
|
||||
Kinetics& kinetics)
|
||||
vector<shared_ptr<Reaction>> getReactions(const AnyValue& items, Kinetics& kinetics)
|
||||
{
|
||||
vector<shared_ptr<Reaction>> all_reactions;
|
||||
for (const auto& node : items.asVector<AnyMap>()) {
|
||||
|
@ -47,8 +47,7 @@ Path::Path(SpeciesNode* begin, SpeciesNode* end)
|
||||
end->addPath(this);
|
||||
}
|
||||
|
||||
void Path::addReaction(size_t rxnNumber, double value,
|
||||
const string& label)
|
||||
void Path::addReaction(size_t rxnNumber, double value, const string& label)
|
||||
{
|
||||
m_rxn[rxnNumber] += value;
|
||||
m_total += value;
|
||||
@ -126,8 +125,7 @@ void ReactionPathDiagram::add(ReactionPathDiagram& d)
|
||||
}
|
||||
}
|
||||
|
||||
void ReactionPathDiagram::findMajorPaths(double athreshold, size_t lda,
|
||||
double* a)
|
||||
void ReactionPathDiagram::findMajorPaths(double athreshold, size_t lda, double* a)
|
||||
{
|
||||
double netmax = 0.0;
|
||||
for (size_t n = 0; n < nNodes(); n++) {
|
||||
|
@ -319,9 +319,8 @@ void solveSP::evalSurfLarge(const double* CSolnSP)
|
||||
}
|
||||
}
|
||||
|
||||
void solveSP::fun_eval(double* resid, const double* CSoln,
|
||||
const double* CSolnOld, const bool do_time,
|
||||
const double deltaT)
|
||||
void solveSP::fun_eval(double* resid, const double* CSoln, const double* CSolnOld,
|
||||
const bool do_time, const double deltaT)
|
||||
{
|
||||
size_t k;
|
||||
double lenScale = 1.0E-9;
|
||||
@ -426,8 +425,7 @@ void solveSP::fun_eval(double* resid, const double* CSoln,
|
||||
}
|
||||
}
|
||||
|
||||
void solveSP::resjac_eval(DenseMatrix& jac,
|
||||
double resid[], double CSoln[],
|
||||
void solveSP::resjac_eval(DenseMatrix& jac, double resid[], double CSoln[],
|
||||
const double CSolnOld[], const bool do_time,
|
||||
const double deltaT)
|
||||
{
|
||||
@ -572,10 +570,8 @@ void solveSP::calcWeights(double wtSpecies[], double wtResid[],
|
||||
}
|
||||
}
|
||||
|
||||
double solveSP::calc_t(double netProdRateSolnSP[],
|
||||
double XMolSolnSP[],
|
||||
int* label, int* label_old,
|
||||
double* label_factor, int ioflag)
|
||||
double solveSP::calc_t(double netProdRateSolnSP[], double XMolSolnSP[], int* label,
|
||||
int* label_old, double* label_factor, int ioflag)
|
||||
{
|
||||
double inv_timeScale = 1.0E-10;
|
||||
size_t kindexSP = 0;
|
||||
|
@ -25,8 +25,7 @@ int FuncEval::evalNoThrow(double t, double* y, double* ydot)
|
||||
}
|
||||
return -1; // unrecoverable error
|
||||
} catch (...) {
|
||||
string msg = "FuncEval::eval_nothrow: unhandled exception"
|
||||
" of unknown type\n";
|
||||
string msg = "FuncEval::eval_nothrow: unhandled exception of unknown type\n";
|
||||
if (suppressErrors()) {
|
||||
m_errors.push_back(msg);
|
||||
} else {
|
||||
@ -58,8 +57,7 @@ int FuncEval::evalDaeNoThrow(double t, double* y, double* ydot, double* r)
|
||||
}
|
||||
return -1; // unrecoverable error
|
||||
} catch (...) {
|
||||
string msg = "FuncEval::eval_nothrow: unhandled exception"
|
||||
" of unknown type\n";
|
||||
string msg = "FuncEval::eval_nothrow: unhandled exception of unknown type\n";
|
||||
if (suppressErrors()) {
|
||||
m_errors.push_back(msg);
|
||||
} else {
|
||||
|
@ -10,8 +10,7 @@
|
||||
namespace Cantera
|
||||
{
|
||||
|
||||
double linearInterp(double x, const vector<double>& xpts,
|
||||
const vector<double>& fpts)
|
||||
double linearInterp(double x, const vector<double>& xpts, const vector<double>& fpts)
|
||||
{
|
||||
if (x <= xpts[0]) {
|
||||
return fpts[0];
|
||||
@ -22,8 +21,8 @@ double linearInterp(double x, const vector<double>& xpts,
|
||||
auto loc = lower_bound(xpts.begin(), xpts.end(), x);
|
||||
int iloc = int(loc - xpts.begin()) - 1;
|
||||
double ff = fpts[iloc] +
|
||||
(x - xpts[iloc])*(fpts[iloc + 1]
|
||||
- fpts[iloc])/(xpts[iloc + 1] - xpts[iloc]);
|
||||
(x - xpts[iloc])*(fpts[iloc + 1]
|
||||
- fpts[iloc])/(xpts[iloc + 1] - xpts[iloc]);
|
||||
return ff;
|
||||
}
|
||||
|
||||
|
@ -32,8 +32,7 @@ public:
|
||||
* Newton step between specified lower and upper bounds. This function only
|
||||
* considers one domain.
|
||||
*/
|
||||
double bound_step(const double* x, const double* step,
|
||||
Domain1D& r, int loglevel)
|
||||
double bound_step(const double* x, const double* step, Domain1D& r, int loglevel)
|
||||
{
|
||||
size_t np = r.nPoints();
|
||||
size_t nv = r.nComponents();
|
||||
@ -99,8 +98,7 @@ double bound_step(const double* x, const double* step,
|
||||
* The second term, @f$ \epsilon_{a,n} @f$, is the absolute error tolerance for
|
||||
* component n.
|
||||
*/
|
||||
double norm_square(const double* x,
|
||||
const double* step, Domain1D& r)
|
||||
double norm_square(const double* x, const double* step, Domain1D& r)
|
||||
{
|
||||
double sum = 0.0;
|
||||
double f2max = 0.0;
|
||||
@ -144,8 +142,7 @@ void MultiNewton::resize(size_t sz)
|
||||
m_stp1.resize(m_n);
|
||||
}
|
||||
|
||||
double MultiNewton::norm2(const double* x,
|
||||
const double* step, OneDim& r) const
|
||||
double MultiNewton::norm2(const double* x, const double* step, OneDim& r) const
|
||||
{
|
||||
double sum = 0.0;
|
||||
size_t nd = r.nDomains();
|
||||
@ -157,8 +154,7 @@ double MultiNewton::norm2(const double* x,
|
||||
return sqrt(sum);
|
||||
}
|
||||
|
||||
void MultiNewton::step(double* x, double* step,
|
||||
OneDim& r, MultiJac& jac, int loglevel)
|
||||
void MultiNewton::step(double* x, double* step, OneDim& r, MultiJac& jac, int loglevel)
|
||||
{
|
||||
r.eval(npos, x, step);
|
||||
for (size_t n = 0; n < r.size(); n++) {
|
||||
@ -191,8 +187,8 @@ void MultiNewton::step(double* x, double* step,
|
||||
}
|
||||
}
|
||||
|
||||
double MultiNewton::boundStep(const double* x0,
|
||||
const double* step0, const OneDim& r, int loglevel)
|
||||
double MultiNewton::boundStep(const double* x0, const double* step0, const OneDim& r,
|
||||
int loglevel)
|
||||
{
|
||||
double fbound = 1.0;
|
||||
for (size_t i = 0; i < r.nDomains(); i++) {
|
||||
@ -284,8 +280,7 @@ int MultiNewton::dampStep(const double* x0, const double* step0,
|
||||
}
|
||||
}
|
||||
|
||||
int MultiNewton::solve(double* x0, double* x1,
|
||||
OneDim& r, MultiJac& jac, int loglevel)
|
||||
int MultiNewton::solve(double* x0, double* x1, OneDim& r, MultiJac& jac, int loglevel)
|
||||
{
|
||||
clock_t t0 = clock();
|
||||
int m = 0;
|
||||
|
@ -379,8 +379,7 @@ void OneDim::init()
|
||||
m_init = true;
|
||||
}
|
||||
|
||||
double OneDim::timeStep(int nsteps, double dt, double* x,
|
||||
double* r, int loglevel)
|
||||
double OneDim::timeStep(int nsteps, double dt, double* x, double* r, int loglevel)
|
||||
{
|
||||
// set the Jacobian age parameter to the transient value
|
||||
newton().setOptions(m_ts_jac_age);
|
||||
|
@ -58,7 +58,8 @@ Sim1D::Sim1D(vector<Domain1D*>& domains) :
|
||||
m_steps = { 10 };
|
||||
}
|
||||
|
||||
void Sim1D::setInitialGuess(const string& component, vector<double>& locs, vector<double>& vals)
|
||||
void Sim1D::setInitialGuess(const string& component, vector<double>& locs,
|
||||
vector<double>& vals)
|
||||
{
|
||||
for (size_t dom=0; dom<nDomains(); dom++) {
|
||||
Domain1D& d = domain(dom);
|
||||
@ -125,9 +126,8 @@ void Sim1D::save(const string& fname, const string& id,
|
||||
}
|
||||
}
|
||||
|
||||
void Sim1D::save(const string& fname, const string& name,
|
||||
const string& desc, bool overwrite, int compression,
|
||||
const string& basis)
|
||||
void Sim1D::save(const string& fname, const string& name, const string& desc,
|
||||
bool overwrite, int compression, const string& basis)
|
||||
{
|
||||
size_t dot = fname.find_last_of(".");
|
||||
string extension = (dot != npos) ? toLowerCopy(fname.substr(dot+1)) : "";
|
||||
|
@ -348,8 +348,7 @@ void StFlow::_finalize(const double* x)
|
||||
}
|
||||
}
|
||||
|
||||
void StFlow::eval(size_t jg, double* xg,
|
||||
double* rg, integer* diagg, double rdt)
|
||||
void StFlow::eval(size_t jg, double* xg, double* rg, integer* diagg, double rdt)
|
||||
{
|
||||
// if evaluating a Jacobian, and the global point is outside the domain of
|
||||
// influence for this domain, then skip evaluating the residual
|
||||
|
@ -18,8 +18,7 @@ Refiner::Refiner(Domain1D& domain) :
|
||||
m_active.resize(m_nv, true);
|
||||
}
|
||||
|
||||
void Refiner::setCriteria(double ratio, double slope,
|
||||
double curve, double prune)
|
||||
void Refiner::setCriteria(double ratio, double slope, double curve, double prune)
|
||||
{
|
||||
if (ratio < 2.0) {
|
||||
throw CanteraError("Refiner::setCriteria",
|
||||
@ -41,8 +40,7 @@ void Refiner::setCriteria(double ratio, double slope,
|
||||
m_prune = prune;
|
||||
}
|
||||
|
||||
int Refiner::analyze(size_t n, const double* z,
|
||||
const double* x)
|
||||
int Refiner::analyze(size_t n, const double* z, const double* x)
|
||||
{
|
||||
if (n >= m_npmax) {
|
||||
throw CanteraError("Refiner::analyze", "max number of grid points reached ({}).", m_npmax);
|
||||
@ -226,8 +224,7 @@ void Refiner::show()
|
||||
}
|
||||
}
|
||||
|
||||
int Refiner::getNewGrid(int n, const double* z,
|
||||
int nn, double* zn)
|
||||
int Refiner::getNewGrid(int n, const double* z, int nn, double* zn)
|
||||
{
|
||||
int nnew = static_cast<int>(m_loc.size());
|
||||
if (nnew + n > nn) {
|
||||
|
@ -60,10 +60,8 @@ void ConstCpPoly::updatePropertiesTemp(const double temp,
|
||||
*s_R = m_s0_R + m_cp0_R * (logt - m_logt0);
|
||||
}
|
||||
|
||||
void ConstCpPoly::reportParameters(size_t& n, int& type,
|
||||
double& tlow, double& thigh,
|
||||
double& pref,
|
||||
double* const coeffs) const
|
||||
void ConstCpPoly::reportParameters(size_t& n, int& type, double& tlow, double& thigh,
|
||||
double& pref, double* const coeffs) const
|
||||
{
|
||||
n = 0;
|
||||
type = CONSTANT_CP;
|
||||
|
@ -339,8 +339,7 @@ void DebyeHuckel::setDefaultIonicRadius(double value)
|
||||
}
|
||||
}
|
||||
|
||||
void DebyeHuckel::setBeta(const string& sp1, const string& sp2,
|
||||
double value)
|
||||
void DebyeHuckel::setBeta(const string& sp1, const string& sp2, double value)
|
||||
{
|
||||
size_t k1 = speciesIndex(sp1);
|
||||
if (k1 == npos) {
|
||||
@ -477,8 +476,7 @@ void DebyeHuckel::getParameters(AnyMap& phaseNode) const
|
||||
phaseNode["activity-data"] = std::move(activityNode);
|
||||
}
|
||||
|
||||
void DebyeHuckel::getSpeciesParameters(const string& name,
|
||||
AnyMap& speciesNode) const
|
||||
void DebyeHuckel::getSpeciesParameters(const string& name, AnyMap& speciesNode) const
|
||||
{
|
||||
MolalityVPSSTP::getSpeciesParameters(name, speciesNode);
|
||||
size_t k = speciesIndex(name);
|
||||
|
@ -325,8 +325,7 @@ double HMWSoln::satPressure(double t) {
|
||||
return pres;
|
||||
}
|
||||
|
||||
static void check_nParams(const string& method, size_t nParams,
|
||||
size_t m_formPitzerTemp)
|
||||
static void check_nParams(const string& method, size_t nParams, size_t m_formPitzerTemp)
|
||||
{
|
||||
if (m_formPitzerTemp == PITZER_TEMP_CONSTANT && nParams != 1) {
|
||||
throw CanteraError(method, "'constant' temperature model requires one"
|
||||
|
@ -34,8 +34,7 @@ double cCut_default = .05;
|
||||
namespace Cantera
|
||||
{
|
||||
|
||||
IdealMolalSoln::IdealMolalSoln(const string& inputFile,
|
||||
const string& id_) :
|
||||
IdealMolalSoln::IdealMolalSoln(const string& inputFile, const string& id_) :
|
||||
IMS_X_o_cutoff_(X_o_cutoff_default),
|
||||
IMS_gamma_o_min_(gamma_o_min_default),
|
||||
IMS_gamma_k_min_(gamma_k_min_default),
|
||||
|
@ -288,8 +288,7 @@ void LatticePhase::getParameters(AnyMap& phaseNode) const
|
||||
phaseNode["site-density"].setQuantity(m_site_density, "kmol/m^3");
|
||||
}
|
||||
|
||||
void LatticePhase::getSpeciesParameters(const string& name,
|
||||
AnyMap& speciesNode) const
|
||||
void LatticePhase::getSpeciesParameters(const string& name, AnyMap& speciesNode) const
|
||||
{
|
||||
ThermoPhase::getSpeciesParameters(name, speciesNode);
|
||||
size_t k = speciesIndex(name);
|
||||
|
@ -231,8 +231,7 @@ double MolalityVPSSTP::osmoticCoefficient() const
|
||||
return oc;
|
||||
}
|
||||
|
||||
void MolalityVPSSTP::setState_TPM(double t, double p,
|
||||
const double* const molalities)
|
||||
void MolalityVPSSTP::setState_TPM(double t, double p, const double* const molalities)
|
||||
{
|
||||
setMolalities(molalities);
|
||||
setState_TP(t, p);
|
||||
|
@ -131,10 +131,8 @@ size_t Mu0Poly::nCoeffs() const
|
||||
return 2*m_numIntervals + 4;
|
||||
}
|
||||
|
||||
void Mu0Poly::reportParameters(size_t& n, int& type,
|
||||
double& tlow, double& thigh,
|
||||
double& pref,
|
||||
double* const coeffs) const
|
||||
void Mu0Poly::reportParameters(size_t& n, int& type, double& tlow, double& thigh,
|
||||
double& pref, double* const coeffs) const
|
||||
{
|
||||
n = 0;
|
||||
type = MU0_INTERP;
|
||||
|
@ -91,8 +91,7 @@ void MultiSpeciesThermo::update_single(size_t k, double t, double* cp_R,
|
||||
}
|
||||
}
|
||||
|
||||
void MultiSpeciesThermo::update(double t, double* cp_R,
|
||||
double* h_RT, double* s_R) const
|
||||
void MultiSpeciesThermo::update(double t, double* cp_R, double* h_RT, double* s_R) const
|
||||
{
|
||||
auto iter = m_sp.begin();
|
||||
auto jter = m_tpoly.begin();
|
||||
@ -115,9 +114,8 @@ int MultiSpeciesThermo::reportType(size_t index) const
|
||||
return -1;
|
||||
}
|
||||
|
||||
void MultiSpeciesThermo::reportParams(size_t index, int& type,
|
||||
double* const c, double& minTemp_, double& maxTemp_,
|
||||
double& refPressure_) const
|
||||
void MultiSpeciesThermo::reportParams(size_t index, int& type, double* const c,
|
||||
double& minTemp_, double& maxTemp_, double& refPressure_) const
|
||||
{
|
||||
const SpeciesThermoInterpType* sp = provideSTIT(index);
|
||||
size_t n;
|
||||
|
@ -55,8 +55,7 @@ void Nasa9Poly1::updateTemperaturePoly(double T, double* T_poly) const
|
||||
T_poly[6] = std::log(T);
|
||||
}
|
||||
|
||||
void Nasa9Poly1::updateProperties(const double* tt,
|
||||
double* cp_R, double* h_RT,
|
||||
void Nasa9Poly1::updateProperties(const double* tt, double* cp_R, double* h_RT,
|
||||
double* s_R) const
|
||||
{
|
||||
|
||||
@ -80,8 +79,7 @@ void Nasa9Poly1::updateProperties(const double* tt,
|
||||
*s_R = sdivR;
|
||||
}
|
||||
|
||||
void Nasa9Poly1::updatePropertiesTemp(const double temp,
|
||||
double* cp_R, double* h_RT,
|
||||
void Nasa9Poly1::updatePropertiesTemp(const double temp, double* cp_R, double* h_RT,
|
||||
double* s_R) const
|
||||
{
|
||||
double tPoly[7];
|
||||
@ -89,10 +87,8 @@ void Nasa9Poly1::updatePropertiesTemp(const double temp,
|
||||
updateProperties(tPoly, cp_R, h_RT, s_R);
|
||||
}
|
||||
|
||||
void Nasa9Poly1::reportParameters(size_t& n, int& type,
|
||||
double& tlow, double& thigh,
|
||||
double& pref,
|
||||
double* const coeffs) const
|
||||
void Nasa9Poly1::reportParameters(size_t& n, int& type, double& tlow, double& thigh,
|
||||
double& pref, double* const coeffs) const
|
||||
{
|
||||
n = 0;
|
||||
type = NASA9;
|
||||
|
@ -114,9 +114,7 @@ void Nasa9PolyMultiTempRegion::updateTemperaturePoly(double T, double* T_poly) c
|
||||
}
|
||||
|
||||
void Nasa9PolyMultiTempRegion::updateProperties(const double* tt,
|
||||
double* cp_R,
|
||||
double* h_RT,
|
||||
double* s_R) const
|
||||
double* cp_R, double* h_RT, double* s_R) const
|
||||
{
|
||||
m_currRegion = 0;
|
||||
for (size_t i = 1; i < m_regionPts.size(); i++) {
|
||||
@ -130,8 +128,7 @@ void Nasa9PolyMultiTempRegion::updateProperties(const double* tt,
|
||||
}
|
||||
|
||||
void Nasa9PolyMultiTempRegion::updatePropertiesTemp(const double temp,
|
||||
double* cp_R, double* h_RT,
|
||||
double* s_R) const
|
||||
double* cp_R, double* h_RT, double* s_R) const
|
||||
{
|
||||
// Now find the region
|
||||
m_currRegion = 0;
|
||||
@ -151,9 +148,7 @@ size_t Nasa9PolyMultiTempRegion::nCoeffs() const
|
||||
}
|
||||
|
||||
void Nasa9PolyMultiTempRegion::reportParameters(size_t& n, int& type,
|
||||
double& tlow, double& thigh,
|
||||
double& pref,
|
||||
double* const coeffs) const
|
||||
double& tlow, double& thigh, double& pref, double* const coeffs) const
|
||||
{
|
||||
n = 0;
|
||||
type = NASA9MULTITEMP;
|
||||
|
@ -188,11 +188,8 @@ double PDSS::satPressure(double t)
|
||||
throw NotImplementedError("PDSS::satPressure");
|
||||
}
|
||||
|
||||
void PDSS::reportParams(size_t& kindex, int& type,
|
||||
double* const c,
|
||||
double& minTemp_,
|
||||
double& maxTemp_,
|
||||
double& refPressure_) const
|
||||
void PDSS::reportParams(size_t& kindex, int& type, double* const c, double& minTemp_,
|
||||
double& maxTemp_, double& refPressure_) const
|
||||
{
|
||||
warn_deprecated("PDSS:reportParams", "To be removed after Cantera 3.0. "
|
||||
"Use getParameters(AnyMap&) instead.");
|
||||
|
@ -647,10 +647,8 @@ void PDSS_HKFT::convertDGFormation()
|
||||
m_Mu0_tr_pr = dg + totalSum;
|
||||
}
|
||||
|
||||
void PDSS_HKFT::reportParams(size_t& kindex, int& type,
|
||||
double* const c,
|
||||
double& minTemp_,
|
||||
double& maxTemp_,
|
||||
void PDSS_HKFT::reportParams(size_t& kindex, int& type, double* const c,
|
||||
double& minTemp_, double& maxTemp_,
|
||||
double& refPressure_) const
|
||||
{
|
||||
// Fill in the first part
|
||||
|
@ -26,8 +26,7 @@ PengRobinson::PengRobinson(const string& infile, const string& id_)
|
||||
initThermoFile(infile, id_);
|
||||
}
|
||||
|
||||
void PengRobinson::setSpeciesCoeffs(const string& species, double a, double b,
|
||||
double w)
|
||||
void PengRobinson::setSpeciesCoeffs(const string& species, double a, double b, double w)
|
||||
{
|
||||
size_t k = speciesIndex(species);
|
||||
if (k == npos) {
|
||||
@ -421,8 +420,7 @@ void PengRobinson::initThermo()
|
||||
}
|
||||
}
|
||||
|
||||
void PengRobinson::getSpeciesParameters(const string& name,
|
||||
AnyMap& speciesNode) const
|
||||
void PengRobinson::getSpeciesParameters(const string& name, AnyMap& speciesNode) const
|
||||
{
|
||||
MixtureFugacityTP::getSpeciesParameters(name, speciesNode);
|
||||
size_t k = speciesIndex(name);
|
||||
|
@ -753,9 +753,8 @@ double Phase::sum_xlogx() const
|
||||
return m_mmw * sumxlogx + std::log(m_mmw);
|
||||
}
|
||||
|
||||
size_t Phase::addElement(const string& symbol, double weight,
|
||||
int atomic_number, double entropy298,
|
||||
int elem_type)
|
||||
size_t Phase::addElement(const string& symbol, double weight, int atomic_number,
|
||||
double entropy298, int elem_type)
|
||||
{
|
||||
// Look up the atomic weight if not given
|
||||
if (weight == 0.0) {
|
||||
|
@ -17,8 +17,7 @@ using namespace std;
|
||||
|
||||
namespace Cantera
|
||||
{
|
||||
RedlichKisterVPSSTP::RedlichKisterVPSSTP(const string& inputFile,
|
||||
const string& id_)
|
||||
RedlichKisterVPSSTP::RedlichKisterVPSSTP(const string& inputFile, const string& id_)
|
||||
{
|
||||
initThermoFile(inputFile, id_);
|
||||
}
|
||||
|
@ -68,8 +68,8 @@ void RedlichKwongMFTP::setSpeciesCoeffs(const string& species,
|
||||
b_vec_Curr_[k] = b;
|
||||
}
|
||||
|
||||
void RedlichKwongMFTP::setBinaryCoeffs(const string& species_i,
|
||||
const string& species_j, double a0, double a1)
|
||||
void RedlichKwongMFTP::setBinaryCoeffs(const string& species_i, const string& species_j,
|
||||
double a0, double a1)
|
||||
{
|
||||
size_t ki = speciesIndex(species_i);
|
||||
if (ki == npos) {
|
||||
@ -590,7 +590,8 @@ double RedlichKwongMFTP::liquidVolEst(double TKelvin, double& presGuess) const
|
||||
return v;
|
||||
}
|
||||
|
||||
double RedlichKwongMFTP::densityCalc(double TKelvin, double presPa, int phaseRequested, double rhoguess)
|
||||
double RedlichKwongMFTP::densityCalc(double TKelvin, double presPa, int phaseRequested,
|
||||
double rhoguess)
|
||||
{
|
||||
// It's necessary to set the temperature so that m_a_current is set correctly.
|
||||
setTemperature(TKelvin);
|
||||
|
@ -170,8 +170,7 @@ void SingleSpeciesTP::getCp_R_ref(double* cpr) const
|
||||
|
||||
// ------------------ Setting the State ------------------------
|
||||
|
||||
void SingleSpeciesTP::setState_HP(double h, double p,
|
||||
double tol)
|
||||
void SingleSpeciesTP::setState_HP(double h, double p, double tol)
|
||||
{
|
||||
double dt;
|
||||
setPressure(p);
|
||||
@ -186,8 +185,7 @@ void SingleSpeciesTP::setState_HP(double h, double p,
|
||||
"no convergence. dt = {}", dt);
|
||||
}
|
||||
|
||||
void SingleSpeciesTP::setState_UV(double u, double v,
|
||||
double tol)
|
||||
void SingleSpeciesTP::setState_UV(double u, double v, double tol)
|
||||
{
|
||||
double dt;
|
||||
if (v == 0.0) {
|
||||
@ -206,8 +204,7 @@ void SingleSpeciesTP::setState_UV(double u, double v,
|
||||
"no convergence. dt = {}\nu = {} v = {}", dt, u, v);
|
||||
}
|
||||
|
||||
void SingleSpeciesTP::setState_SP(double s, double p,
|
||||
double tol)
|
||||
void SingleSpeciesTP::setState_SP(double s, double p, double tol)
|
||||
{
|
||||
double dt;
|
||||
setPressure(p);
|
||||
@ -222,8 +219,7 @@ void SingleSpeciesTP::setState_SP(double s, double p,
|
||||
"no convergence. dt = {}", dt);
|
||||
}
|
||||
|
||||
void SingleSpeciesTP::setState_SV(double s, double v,
|
||||
double tol)
|
||||
void SingleSpeciesTP::setState_SV(double s, double v, double tol)
|
||||
{
|
||||
double dt;
|
||||
if (v == 0.0) {
|
||||
|
@ -67,8 +67,7 @@ double SpeciesThermoInterpType::reportHf298(double* const h298) const
|
||||
throw NotImplementedError("SpeciesThermoInterpType::reportHf298");
|
||||
}
|
||||
|
||||
void SpeciesThermoInterpType::modifyOneHf298(const size_t k,
|
||||
const double Hf298New)
|
||||
void SpeciesThermoInterpType::modifyOneHf298(const size_t k, const double Hf298New)
|
||||
{
|
||||
throw NotImplementedError("SpeciesThermoInterpType::modifyOneHf298");
|
||||
}
|
||||
|
@ -765,9 +765,8 @@ double ThermoPhase::stoichAirFuelRatio(const Composition& fuelComp,
|
||||
return stoichAirFuelRatio(fuel.data(), ox.data(), basis);
|
||||
}
|
||||
|
||||
double ThermoPhase::stoichAirFuelRatio(const string& fuelComp,
|
||||
const string& oxComp,
|
||||
ThermoBasis basis) const
|
||||
double ThermoPhase::stoichAirFuelRatio(const string& fuelComp, const string& oxComp,
|
||||
ThermoBasis basis) const
|
||||
{
|
||||
return stoichAirFuelRatio(
|
||||
parseCompString(fuelComp.find(":") != string::npos ? fuelComp : fuelComp+":1.0"),
|
||||
@ -878,9 +877,8 @@ double ThermoPhase::equivalenceRatio(const Composition& fuelComp,
|
||||
return equivalenceRatio(fuel.data(), ox.data(), basis);
|
||||
}
|
||||
|
||||
double ThermoPhase::equivalenceRatio(const string& fuelComp,
|
||||
const string& oxComp,
|
||||
ThermoBasis basis) const
|
||||
double ThermoPhase::equivalenceRatio(const string& fuelComp, const string& oxComp,
|
||||
ThermoBasis basis) const
|
||||
{
|
||||
return equivalenceRatio(
|
||||
parseCompString(fuelComp.find(":") != string::npos ? fuelComp : fuelComp+":1.0"),
|
||||
@ -982,10 +980,8 @@ double ThermoPhase::mixtureFraction(const Composition& fuelComp,
|
||||
return mixtureFraction(fuel.data(), ox.data(), basis, element);
|
||||
}
|
||||
|
||||
double ThermoPhase::mixtureFraction(const string& fuelComp,
|
||||
const string& oxComp,
|
||||
ThermoBasis basis,
|
||||
const string& element) const
|
||||
double ThermoPhase::mixtureFraction(const string& fuelComp, const string& oxComp,
|
||||
ThermoBasis basis, const string& element) const
|
||||
{
|
||||
return mixtureFraction(
|
||||
parseCompString(fuelComp.find(":") != string::npos ? fuelComp : fuelComp+":1.0"),
|
||||
@ -993,10 +989,8 @@ double ThermoPhase::mixtureFraction(const string& fuelComp,
|
||||
basis, element);
|
||||
}
|
||||
|
||||
double ThermoPhase::mixtureFraction(const double* fuelComp,
|
||||
const double* oxComp,
|
||||
ThermoBasis basis,
|
||||
const string& element) const
|
||||
double ThermoPhase::mixtureFraction(const double* fuelComp, const double* oxComp,
|
||||
ThermoBasis basis, const string& element) const
|
||||
{
|
||||
vector<double> fuel, ox;
|
||||
if (basis == ThermoBasis::molar) { // convert input compositions to mass fractions
|
||||
@ -1075,8 +1069,7 @@ const MultiSpeciesThermo& ThermoPhase::speciesThermo(int k) const
|
||||
}
|
||||
|
||||
|
||||
void ThermoPhase::initThermoFile(const string& inputFile,
|
||||
const string& id)
|
||||
void ThermoPhase::initThermoFile(const string& inputFile, const string& id)
|
||||
{
|
||||
if (inputFile.empty()) {
|
||||
// No input file specified - nothing to set up
|
||||
@ -1303,7 +1296,8 @@ void ThermoPhase::getdlnActCoeffdlnN(const size_t ld, double* const dlnActCoeffd
|
||||
return;
|
||||
}
|
||||
|
||||
void ThermoPhase::getdlnActCoeffdlnN_numderiv(const size_t ld, double* const dlnActCoeffdlnN)
|
||||
void ThermoPhase::getdlnActCoeffdlnN_numderiv(const size_t ld,
|
||||
double* const dlnActCoeffdlnN)
|
||||
{
|
||||
double deltaMoles_j = 0.0;
|
||||
double pres = pressure();
|
||||
|
@ -93,8 +93,7 @@ double WaterProps::density_T(double T, double P, int ifunc)
|
||||
return rho;
|
||||
}
|
||||
|
||||
double WaterProps::relEpsilon(double T, double P_pascal,
|
||||
int ifunc)
|
||||
double WaterProps::relEpsilon(double T, double P_pascal, int ifunc)
|
||||
{
|
||||
static const double U1 = 3.4279E2;
|
||||
static const double U2 = -5.0866E-3;
|
||||
|
@ -73,7 +73,7 @@ double WaterPropsIAPWS::pressure() const
|
||||
}
|
||||
|
||||
double WaterPropsIAPWS::density(double temperature, double pressure,
|
||||
int phase, double rhoguess)
|
||||
int phase, double rhoguess)
|
||||
{
|
||||
if (fabs(pressure - P_c) / P_c < 1.e-8 &&
|
||||
fabs(temperature - T_c) / T_c < 1.e-8) {
|
||||
@ -132,8 +132,7 @@ double WaterPropsIAPWS::density(double temperature, double pressure,
|
||||
return density_retn;
|
||||
}
|
||||
|
||||
double WaterPropsIAPWS::density_const(double pressure,
|
||||
int phase, double rhoguess) const
|
||||
double WaterPropsIAPWS::density_const(double pressure, int phase, double rhoguess) const
|
||||
{
|
||||
double temperature = T_c / tau;
|
||||
double deltaGuess = 0.0;
|
||||
|
@ -410,8 +410,7 @@ double MMCollisionInt::cstar(double ts, double deltastar)
|
||||
return quadInterp(log(ts), &m_logTemp[i1], values.data());
|
||||
}
|
||||
|
||||
void MMCollisionInt::fit_omega22(int degree, double deltastar,
|
||||
double* o22)
|
||||
void MMCollisionInt::fit_omega22(int degree, double deltastar, double* o22)
|
||||
{
|
||||
int n = m_nmax - m_nmin + 1;
|
||||
vector<double> values(n);
|
||||
@ -433,8 +432,7 @@ void MMCollisionInt::fit_omega22(int degree, double deltastar,
|
||||
}
|
||||
}
|
||||
|
||||
void MMCollisionInt::fit(int degree, double deltastar,
|
||||
double* a, double* b, double* c)
|
||||
void MMCollisionInt::fit(int degree, double deltastar, double* a, double* b, double* c)
|
||||
{
|
||||
int n = m_nmax - m_nmin + 1;
|
||||
vector<double> values(n);
|
||||
|
@ -41,8 +41,7 @@ public:
|
||||
double astar(double ts, double deltastar);
|
||||
double bstar(double ts, double deltastar);
|
||||
double cstar(double ts, double deltastar);
|
||||
void fit(int degree, double deltastar,
|
||||
double* astar, double* bstar, double* cstar);
|
||||
void fit(int degree, double deltastar, double* astar, double* bstar, double* cstar);
|
||||
void fit_omega22(int degree, double deltastar, double* om22);
|
||||
double omega11(double ts, double deltastar) {
|
||||
return omega22(ts, deltastar)/astar(ts, deltastar);
|
||||
|
@ -253,8 +253,8 @@ void MultiTransport::getSpeciesFluxes(size_t ndim, const double* const grad_T,
|
||||
}
|
||||
}
|
||||
|
||||
void MultiTransport::getMassFluxes(const double* state1, const double* state2, double delta,
|
||||
double* fluxes)
|
||||
void MultiTransport::getMassFluxes(const double* state1, const double* state2,
|
||||
double delta, double* fluxes)
|
||||
{
|
||||
double* x1 = m_spwork1.data();
|
||||
double* x2 = m_spwork2.data();
|
||||
|
@ -373,8 +373,7 @@ double ReactorNet::sensitivity(size_t k, size_t p)
|
||||
return m_integ->sensitivity(k, p) / denom;
|
||||
}
|
||||
|
||||
void ReactorNet::evalJacobian(double t, double* y,
|
||||
double* ydot, double* p, Array2D* j)
|
||||
void ReactorNet::evalJacobian(double t, double* y, double* ydot, double* p, Array2D* j)
|
||||
{
|
||||
//evaluate the unperturbed ydot
|
||||
eval(t, y, ydot, p);
|
||||
|
@ -21,8 +21,7 @@ public:
|
||||
}
|
||||
|
||||
void SetUp() {
|
||||
string Xref = "H:1.0, R1A:1.0, R1B:1.0, R2:1.0, "
|
||||
"R3:1.0, R4:1.0, R5:1.0, R6:1.0";
|
||||
string Xref = "H:1.0, R1A:1.0, R1B:1.0, R2:1.0, R3:1.0, R4:1.0, R5:1.0, R6:1.0";
|
||||
|
||||
soln_->thermo()->setState_TPX(900.0, 101325 * 8.0, Xref);
|
||||
}
|
||||
|
@ -15,7 +15,8 @@ public:
|
||||
ck_tran.init(phase.get(), CK_Mode);
|
||||
}
|
||||
|
||||
void check_viscosity_poly(const string& speciek, const vector<double>& visc_coeff_expected, int cmode) {
|
||||
void check_viscosity_poly(const string& speciek,
|
||||
const vector<double>& visc_coeff_expected, int cmode) {
|
||||
size_t k = phase->speciesIndex(speciek);
|
||||
vector<double> coeffs (cmode == CK_Mode ? 4 : 5);
|
||||
if (cmode == CK_Mode) {
|
||||
@ -28,7 +29,8 @@ public:
|
||||
}
|
||||
}
|
||||
|
||||
void check_cond_poly(const string& speciek, const vector<double>& cond_coeff_expected, int cmode) {
|
||||
void check_cond_poly(const string& speciek,
|
||||
const vector<double>& cond_coeff_expected, int cmode) {
|
||||
MixTransport tran;
|
||||
tran.init(phase.get(), cmode);
|
||||
size_t k = phase->speciesIndex(speciek);
|
||||
@ -43,7 +45,8 @@ public:
|
||||
}
|
||||
}
|
||||
|
||||
void check_bindiff_poly(const string& speciek, const string& speciej, const vector<double>& bindiff_coeff_expected, int cmode) {
|
||||
void check_bindiff_poly(const string& speciek, const string& speciej,
|
||||
const vector<double>& bindiff_coeff_expected, int cmode) {
|
||||
size_t k = phase->speciesIndex(speciek);
|
||||
size_t j = phase->speciesIndex(speciej);
|
||||
vector<double> coeffs (cmode == CK_Mode ? 4 : 5);
|
||||
|
Loading…
Reference in New Issue
Block a user