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

Public Member Functions

 PropertyLoading (std::size_t numberOfBlocks, std::size_t numberOfComponents)
 
bool operator== (PropertyLoading const &) const =default
 
void resize (std::size_t newNumberOfComponents)
 
void addSample (std::size_t blockIndex, const Loadings &loading, const double &weight)
 
Loadings averagedLoading (std::size_t blockIndex) const
 
Loadings averagedLoading () const
 
std::pair< Loadings, LoadingsaverageLoading () const
 
std::pair< double, double > averageLoadingNumberOfMolecules (std::size_t comp) const
 
std::string writeAveragesStatistics (std::vector< Component > components, std::optional< double > frameworkMass, std::optional< int3 > numberOfUnitCells) const
 
std::string repr () const
 Returns a string representation of the PropertyLoading.
 

Public Attributes

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

Friends

Archive< std::ofstream > & operator<< (Archive< std::ofstream > &archive, const PropertyLoading &l)
 
Archive< std::ifstream > & operator>> (Archive< std::ifstream > &archive, PropertyLoading &l)
 

Member Function Documentation

◆ repr()

std::string PropertyLoading::repr ( ) const

Returns a string representation of the PropertyLoading.

Generates a simple string indicating a test representation of the PropertyLoading.

Returns
A string representing the PropertyLoading.

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