ggl::chem::GS_chem::edge_is_in_component Class Reference

#include <GS_chem.hh>

Public Member Functions
	edge_is_in_component ()
	empty construction More...
	edge_is_in_component (const int componentID, const ComponentIdVec &componentVec, const IndexMap *idxMap, const Molecule &m)
template<typename EDGE >
bool	operator() (const EDGE &e) const

Protected Attributes
int	componentID
	componentID the index of the connected component to represent More...
const ComponentIdVec *	componentVec
	the connected component ID for each vertex More...
const IndexMap *	idxMap
const Molecule *	m
	the molecule graph where the edges of interest are from More...

Detailed Description

A boost graph edge filter used as EdgePredicate of a boost::filtered_graph to represent a specific connected component of a Molecule. This is needed if the added Molecule represents a set of molecules to generate a SMILES string for each of them.

Definition at line 82 of file GS_chem.hh.

Constructor & Destructor Documentation

ggl::chem::GS_chem::edge_is_in_component::edge_is_in_component

(

)

ggl::chem::GS_chem::edge_is_in_component::edge_is_in_component	(	const int	componentID,
		const ComponentIdVec &	componentVec,
		const IndexMap *	idxMap,
		const Molecule &	m
	)

construction

Parameters

componentID	the index of the connected component to represent
componentVec	the connected component ID for each vertex
idxMap	the index map of the underlying graph to get the index of a requested vertex
m	the molecule graph where the edges of interest are from

Member Function Documentation

template<typename EDGE >

bool ggl::chem::GS_chem::edge_is_in_component::operator()

(

const EDGE &

e

)

const

Check if an edge should be part of the filtered graph that represents a specific connected component of a boost graph.

Returns

true if source and target graph are within the component and should be represented, false otherwise.

Field Documentation

int ggl::chem::GS_chem::edge_is_in_component::componentID

protected

Definition at line 85 of file GS_chem.hh.

const ComponentIdVec* ggl::chem::GS_chem::edge_is_in_component::componentVec

protected

Definition at line 87 of file GS_chem.hh.

const IndexMap* ggl::chem::GS_chem::edge_is_in_component::idxMap

protected

the index map of the underlying graph to get the index of a requested vertex

Definition at line 90 of file GS_chem.hh.

const Molecule* ggl::chem::GS_chem::edge_is_in_component::m

protected

Definition at line 92 of file GS_chem.hh.

---

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

• src/ggl/chem/GS_chem.hh