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Merge pull request #150 from parikshitbajpai/rename_Data
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Rename `ReinitData` to `ReinitializationData` for style consistency.
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dschwen committed Nov 16, 2023
2 parents 2a4e65c + 87026c1 commit 4591607
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Showing 2 changed files with 9 additions and 7 deletions.
8 changes: 5 additions & 3 deletions src/Thermochimica-cxx.C
Original file line number Diff line number Diff line change
Expand Up @@ -472,9 +472,10 @@ namespace Thermochimica
return {moleFraction, info};
}

reinitData getReinitData()
ReinitializationData
getReinitData()
{
reinitData data;
ReinitializationData data;
int available;
auto [elements, species] = getReinitDataSizes();
data.assemblage.resize(elements);
Expand All @@ -490,7 +491,8 @@ namespace Thermochimica
return data;
}

void setReinitData(const reinitData &data)
void
setReinitData(const ReinitializationData & data)
{
auto [elements, species] = getReinitDataSizes();
TCAPI_setReinitData(&elements, &species, data.assemblage.data(), data.molesPhase.data(), data.elementPotential.data(), data.chemicalPotential.data(), data.moleFraction.data(), data.elementsUsed.data());
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8 changes: 4 additions & 4 deletions src/Thermochimica-cxx.h
Original file line number Diff line number Diff line change
Expand Up @@ -33,7 +33,7 @@ namespace Thermochimica
void resetThermoAll();

// utilitiy functions for consistency check / database record

std::size_t getNumberElementsDatabase();
std::vector<std::string> getElementsDatabase();
std::string getElementAtIndex(int element_index);
Expand Down Expand Up @@ -90,7 +90,7 @@ namespace Thermochimica
getMqmqaConstituentFraction(const std::string &phaseName, int sublattice, const std::string &constituent);

// Reinitialization data
struct reinitData
struct ReinitializationData
{
std::vector<int> assemblage;
std::vector<double> molesPhase;
Expand All @@ -103,8 +103,8 @@ namespace Thermochimica
bool reinitAvailable;
};

reinitData getReinitData();
void setReinitData(const reinitData &data);
ReinitializationData getReinitData();
void setReinitData(const ReinitializationData & data);

// Heat capacity, enthalpy, and entropy
void setHeatCapacityEnthalpyEntropyRequested(bool requested);
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