#include <GS_chem.hh>
Public Member Functions | |
node_is_in_component () | |
empty construction More... | |
node_is_in_component (const int componentID, const ComponentIdVec &componentVec, const IndexMap *idxMap) | |
template<typename VERTEX > | |
bool | operator() (const VERTEX &node) 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 |
A boost graph node filter used as VertexPredicate 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 44 of file GS_chem.hh.
ggl::chem::GS_chem::node_is_in_component::node_is_in_component | ( | ) |
ggl::chem::GS_chem::node_is_in_component::node_is_in_component | ( | const int | componentID, |
const ComponentIdVec & | componentVec, | ||
const IndexMap * | idxMap | ||
) |
construction
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 |
bool ggl::chem::GS_chem::node_is_in_component::operator() | ( | const VERTEX & | node | ) | const |
Check if a vertex should be part of the filtered graph that represents a specific connected component of a boost graph.
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protected |
Definition at line 47 of file GS_chem.hh.
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protected |
Definition at line 49 of file GS_chem.hh.
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protected |
the index map of the underlying graph to get the index of a requested vertex
Definition at line 52 of file GS_chem.hh.