RASPA3 3.0.12
A molecular simulation code for computing adsorption and diffusion in nanoporous materials
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Public Member Functions | Public Attributes | Friends | List of all members
Loadings Struct Referenceexport
module loadings
Collaboration diagram for Loadings:
Collaboration graph
[legend]

Public Member Functions

 Loadings (std::size_t size)
 
bool operator== (Loadings const &) const =default
 
void resize (std::size_t numberOfComponents)
 
 Loadings (std::size_t size, const std::vector< std::size_t > &numberOfIntegerMolecules, const SimulationBox &box)
 
double & operator() (std::size_t compA)
 
std::string printStatus (const Component &compA, std::optional< double > frameworkMass, std::optional< int3 > numberOfUnitCells) const
 
std::string printStatus (const Component &compA, const Loadings &average, const Loadings &error, std::optional< double > frameworkMass, std::optional< int3 > numberOfUnitCells) const
 
Loadings & operator+= (const Loadings &b)
 

Public Attributes

std::uint64_t versionNumber {1}
 
std::size_t size
 
double totalNumberOfMolecules
 
double totalDensity
 
std::vector< double > numberOfMolecules
 
std::vector< double > numberDensities
 
std::vector< double > inverseNumberDensities
 

Friends

Archive< std::ofstream > & operator<< (Archive< std::ofstream > &archive, const Loadings &l)
 
Archive< std::ifstream > & operator>> (Archive< std::ifstream > &archive, Loadings &l)
 
The documentation for this struct was generated from the following file: