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1 change: 0 additions & 1 deletion docs/contributors.md
Original file line number Diff line number Diff line change
Expand Up @@ -15,7 +15,6 @@ Pierre Schrooyen <br>
Laurent Soucasse <br>
Alessandro Turchi <br>
[Ruben Di Battista](https://rdb.is) <br>
Matthew Goodson - [Corvid Technologies](https://www.corvidtec.com)

Have you contributed but don't see your name? Open a PR on Github and add
yourself in this file, we will be happy to add you.
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1 change: 1 addition & 0 deletions docs/input-files.md
Original file line number Diff line number Diff line change
Expand Up @@ -119,6 +119,7 @@ Attribute | Possible Values | D
`thermal_conductivity` | `CG`, __LDLT__, `Wilke` | choice of heavy particle translational thermal conductivity algorithm
`thermo_db` | __RRHO__, `NASA-7`, `NASA-9` | choice of [thermodynamic database](#thermodynamic_databases)
`state_model` | __ChemNonEq1T__, `ChemNonEqTTv`, `Equil`, `EquilTP` | choice of [state model](#statemodels)
`use_transport` | `no`, __yes__ | whether or not to load transport data
`viscosity` | `CG`, `Gupta-Yos`, __LDLT__, `Wilke` | choice of viscosity algorithm

### Species List Descriptor
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93 changes: 48 additions & 45 deletions src/general/MixtureOptions.h
Original file line number Diff line number Diff line change
Expand Up @@ -51,14 +51,15 @@ class MixtureOptions
* species list.
*/
MixtureOptions();

/**
* Copy constructor.
*/
MixtureOptions(const MixtureOptions& options)
: m_species_descriptor(options.m_species_descriptor),
m_compositions(options.m_compositions),
m_default_composition(options.m_default_composition),
m_load_transport(options.m_load_transport),
m_source(options.m_source),
m_state_model(options.m_state_model),
m_thermo_db(options.m_thermo_db),
Expand All @@ -67,32 +68,32 @@ class MixtureOptions
m_thermal_conductivity(options.m_thermal_conductivity),
m_gsi_mechanism(options.m_gsi_mechanism)
{ }

/**
* Constructs a new MixtureOptions object from a mixture file (without the
* .xml extension). The file is first assumed to reside in the relative
* path from the local directory. If it does not exist there, then
* MPP_DATA_DIRECTORY/mixtures is checked.
*/
MixtureOptions(const std::string& mixture);


/**
* Constructs a new MixtureOptions object from a mixture file (without the
* .xml extension). The file is first assumed to reside in the relative
* path from the local directory. If it does not exist there, then
* MPP_DATA_DIRECTORY/mixtures is checked.
*/
MixtureOptions(const char* mixture);

/**
* Constructs a new MixtureOptions from an XmlElement.
*/
MixtureOptions(Utilities::IO::XmlElement& element);

/**
* Destructor.
*/
~MixtureOptions() {}
* Constructs a new MixtureOptions object from a mixture file (without the
* .xml extension). The file is first assumed to reside in the relative
* path from the local directory. If it does not exist there, then
* MPP_DATA_DIRECTORY/mixtures is checked.
*/
MixtureOptions(const std::string& mixture);

/**
* Constructs a new MixtureOptions object from a mixture file (without the
* .xml extension). The file is first assumed to reside in the relative
* path from the local directory. If it does not exist there, then
* MPP_DATA_DIRECTORY/mixtures is checked.
*/
MixtureOptions(const char* mixture);

/**
* Constructs a new MixtureOptions from an XmlElement.
*/
MixtureOptions(Utilities::IO::XmlElement& element);

/**
* Destructor.
*/
~MixtureOptions() {}

/**
* Assignment operator.
Expand All @@ -102,7 +103,7 @@ class MixtureOptions
swap(*this, options);
return *this;
}

/**
* Loads the mixture options from a mixture input file.
*/
Expand All @@ -117,63 +118,63 @@ class MixtureOptions
* Gets the source of this mixture options (mixture file name).
*/
const std::string& getSource() const {
return m_source;
return m_source;
}

/**
* Sets the options back to a default state.
*/
void setDefaultOptions();

/**
* Gets the list of species names.
*/
const std::string& getSpeciesDescriptor() const {
return m_species_descriptor;
}

/**
* Sets the list of species names.
*/
void setSpeciesDescriptor(const std::string& descriptor) {
m_species_descriptor = descriptor;
}

/**
* Gets the mixture state model to be used.
*/
const std::string& getStateModel() const {
return m_state_model;
}

/**
* Sets the mixture state model to be used.
*/
void setStateModel(const std::string& state_model) {
m_state_model.assign(state_model);
}

/**
* Gets the thermodynamic database type to use.
*/
const std::string& getThermodynamicDatabase() const {
return m_thermo_db;
}

/**
* Sets which thermodynamic database is to be used.
*/
void setThermodynamicDatabase(const std::string& thermo_db) {
m_thermo_db = thermo_db;
}

/**
* Gets the name of the reaction mechanism to use.
*/
const std::string& getMechanism() const {
return m_mechanism;
}

/**
* Sets the name of the reaction mechanism.
*/
Expand All @@ -187,37 +188,37 @@ class MixtureOptions
const std::string& getViscosityAlgorithm() const {
return m_viscosity;
}

/**
* Sets which viscosity algorithm to use.
*/
void setViscosityAlgorithm(const std::string& viscosity) {
m_viscosity = viscosity;
}

/**
* Gets the thermal conductivity algorithm to use.
*/
const std::string& getThermalConductivityAlgorithm() const {
return m_thermal_conductivity;
}

/**
* Sets the thermal conductivity algorithm to use.
*/
void setThermalConductivityAlgorithm(
const std::string& thermal_conductivity)
const std::string& thermal_conductivity)
{
m_thermal_conductivity = thermal_conductivity;
}

/**
* Gets the Gas-Surface Interaction mechanism to use.
*/
const std::string& getGSIMechanism() const {
return m_gsi_mechanism;
}

/**
* Sets the Gas-Surface Interaction mechanism to use.
*/
Expand Down Expand Up @@ -326,7 +327,7 @@ class MixtureOptions

bool addComposition(
const Thermodynamics::Composition& c, bool make_default = false);

const std::vector<Thermodynamics::Composition>& compositions() const {
return m_compositions;
}
Expand All @@ -340,13 +341,15 @@ class MixtureOptions
private:

std::string m_species_descriptor;

std::vector<Thermodynamics::Composition> m_compositions;
int m_default_composition;
//std::vector<std::pair<std::string, double> > m_default_composition;
//bool m_has_default_composition;

std::string m_source;
bool m_load_transport;

std::string m_source;
std::string m_state_model;
std::string m_thermo_db;
std::string m_mechanism;
Expand Down