Public Attributes
std::map< std::size_t, CompSite >	to_CompSite

std::map< CompSite, std::size_t >	to_siteid

std::map< CompCIndex, std::size_t >	CompCIndex_to_siteid

Eigen::ArrayXi	counts
	An array of counts of each siteid for the entire mixture.

Eigen::ArrayXi	N_sites
	How many total sites are on each molecule.

Eigen::ArrayXi	N_unique_sites
	How many unique types of sites are on each molecule.

Eigen::ArrayXi	comp_index
	The pure component indices associated with each siteid.

std::vector< std::vector< std::string > >	molecule_sites

Detailed Description

Definition at line 53 of file association.hpp.

Member Data Documentation

Eigen::ArrayXi teqp::association::Association::IndexMapper::comp_index

The pure component indices associated with each siteid.

Definition at line 60 of file association.hpp.

std::map<CompCIndex, std::size_t> teqp::association::Association::IndexMapper::CompCIndex_to_siteid

Definition at line 56 of file association.hpp.

Eigen::ArrayXi teqp::association::Association::IndexMapper::counts

An array of counts of each siteid for the entire mixture.

Definition at line 57 of file association.hpp.

std::vector<std::vector<std::string> > teqp::association::Association::IndexMapper::molecule_sites

Definition at line 61 of file association.hpp.

Eigen::ArrayXi teqp::association::Association::IndexMapper::N_sites

How many total sites are on each molecule.

Definition at line 58 of file association.hpp.

Eigen::ArrayXi teqp::association::Association::IndexMapper::N_unique_sites

How many unique types of sites are on each molecule.

Definition at line 59 of file association.hpp.

std::map<std::size_t, CompSite> teqp::association::Association::IndexMapper::to_CompSite

Definition at line 54 of file association.hpp.

std::map<CompSite, std::size_t> teqp::association::Association::IndexMapper::to_siteid

Definition at line 55 of file association.hpp.

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