RASPA3 3.0.12
A molecular simulation code for computing adsorption and diffusion in nanoporous materials
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PropertyEnthalpy Struct Referenceexport
Collaboration diagram for PropertyEnthalpy:

Public Member Functions

 PropertyEnthalpy (std::size_t numberOfBlocks, std::size_t numberOfComponents)
 
bool operator== (PropertyEnthalpy const &) const =default
 
void resize (std::size_t newNumberOfComponents)
 
void addSample (std::size_t blockIndex, const EnthalpyOfAdsorptionTerms &terms, const double &weight)
 
EnthalpyOfAdsorption averagedEnthalpy (std::size_t blockIndex) const
 
EnthalpyOfAdsorption averagedEnthalpy () const
 
std::pair< EnthalpyOfAdsorption, EnthalpyOfAdsorptionaverageEnthalpy () const
 
std::vector< double > blockEnthalpies (std::size_t &k, double &idealGasTerm) const
 
std::string writeAveragesStatistics (std::vector< std::size_t > &swappableComponents, std::vector< Component > &components) const
 
nlohmann::json jsonAveragesStatistics (std::vector< std::size_t > &swappableComponents, std::vector< Component > &components) const
 

Public Attributes

std::uint64_t versionNumber {1}
 
std::size_t numberOfBlocks
 
std::size_t numberOfComponents
 
std::vector< std::pair< EnthalpyOfAdsorptionTerms, double > > bookKeepingEnthalpyOfAdsorptionTerms
 

Friends

Archive< std::ofstream > & operator<< (Archive< std::ofstream > &archive, const PropertyEnthalpy &p)
 
Archive< std::ifstream > & operator>> (Archive< std::ifstream > &archive, PropertyEnthalpy &p)
 

The documentation for this struct was generated from the following file: