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

Public Member Functions

 ConnectivityTable (std::size_t numberOfBeads)
 
bool operator[] (std::size_t i, std::size_t j) const
 
std::vector< bool >::reference operator[] (std::size_t i, std::size_t j)
 
std::string print (const std::string &prestring) const
 
bool checkIsConnectedSubgraph (const std::vector< std::size_t > &set)
 
std::optional< std::vector< std::size_t > > checkValidityNextBeads (const std::vector< std::size_t > &placedBeads) const
 
std::vector< std::size_t > findAllNeighbors (std::size_t currentBead) const
 
std::vector< std::array< std::size_t, 2 > > findAllBonds () const
 
std::vector< std::array< std::size_t, 3 > > findAllBends () const
 
std::vector< std::array< std::size_t, 4 > > findAllTorsions () const
 
std::vector< std::array< std::size_t, 2 > > findAllVanDerWaals () const
 
std::tuple< std::optional< std::size_t >, std::size_t, std::vector< std::size_t > > nextBeads (const std::vector< std::size_t > &placedBeads) const
 

Public Attributes

std::uint64_t versionNumber {1}
 
std::size_t numberOfBeads
 
std::vector< bool > table
 

Friends

Archive< std::ofstream > & operator<< (Archive< std::ofstream > &archive, const ConnectivityTable &b)
 
Archive< std::ifstream > & operator>> (Archive< std::ifstream > &archive, ConnectivityTable &b)
 

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