Method for reading and writing the connectivity of atoms (list of neighbors for each atom). More...

Collaboration diagram for Scine::SwooseUtilities::ConnectivityFileHandler:

Static Public Member Functions
static std::vector< std::list < int > >	readListsOfNeighbors (const std::string &filename)
	Reads the lists of neighbors from a file. More...

static void	writeListsOfNeighbors (const std::string &filename, const std::vector< std::list< int >> &listsOfNeighbors)
	Writes all the neighbors of every atom to a file, i.e. the connectivity of the system. More...

Detailed Description

Method for reading and writing the connectivity of atoms (list of neighbors for each atom).

Member Function Documentation

std::vector< std::list< int > > Scine::SwooseUtilities::ConnectivityFileHandler::readListsOfNeighbors ( const std::string & filename )

static

Reads the lists of neighbors from a file.

Parameters

filename Name of the file from which the connectivity is read.

Returns: The connectivity of the system. It is a vector of a list of neighbor atom indices for each atom.

void Scine::SwooseUtilities::ConnectivityFileHandler::writeListsOfNeighbors	(	const std::string &	filename,
		const std::vector< std::list< int >> &	listsOfNeighbors
	)

static

Writes all the neighbors of every atom to a file, i.e. the connectivity of the system.

Parameters

filename	Name of the file to which the connectivity is written.
The	connectivity of the system. It is a vector of a list of neighbor atom indices for each atom.

The documentation for this class was generated from the following files: