indigoX
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Namespaces | |
BaseGraph | |
Classes | |
class | BaseGraph |
Template base class for all graphs used in the indigoX library. More... | |
class | CMGEdge |
Class for the edges of an IXCondensedMolecularGraph. More... | |
class | CMGVertex |
Class for the vertices of an IXCondensedMolecularGraph. More... | |
class | CondensedMolecularGraph |
struct | Directed |
Type for specifying that a graph is directed. More... | |
struct | GraphLabel |
Type for applying a numerical label to a vertex or edge. More... | |
class | IXAGVertex |
Class for the vertices of an IXAssignmentGraph. More... | |
class | IXAssignmentGraph |
Class used to assign electrons to a molecule. More... | |
class | MGEdge |
Class for the edges of a IXMolecularGraph. More... | |
class | MGVertex |
Class for the vertices of a IXMolecularGraph. More... | |
class | MolecularGraph |
Class containing a graph representation of a molecule. More... | |
struct | Undirected |
Type for specifying that a graph is undirected. More... | |
Typedefs | |
using | _AGVertex = std::weak_ptr< IXAGVertex > |
using | _AssignmentGraph = std::weak_ptr< IXAssignmentGraph > |
using | AGVertex = std::shared_ptr< IXAGVertex > |
using | AssignmentGraph = std::shared_ptr< IXAssignmentGraph > |
using | ContractedSymmetry = CMGVertex::ContractedSymmetry |
using | EdgeIsoMask = eastl::bitset< 14, uint16_t > |
type used to store the isomorphism testing mask for IXCMGEdge. More... | |
using | VertexIsoMask = eastl::bitset< 37, uint64_t > |
type used to store the isomorphism testing mask for IXCMGVertex. More... | |
Functions | |
CondensedMolecularGraph | Condense (const MolecularGraph &G) |
using _AGVertex = std::weak_ptr<IXAGVertex> |
using _AssignmentGraph = std::weak_ptr<IXAssignmentGraph> |
using AGVertex = std::shared_ptr<IXAGVertex> |
using AssignmentGraph = std::shared_ptr<IXAssignmentGraph> |
using EdgeIsoMask = eastl::bitset<14, uint16_t> |
type used to store the isomorphism testing mask for IXCMGEdge.
using VertexIsoMask = eastl::bitset<37, uint64_t> |
type used to store the isomorphism testing mask for IXCMGVertex.
CondensedMolecularGraph indigox::graph::Condense | ( | const MolecularGraph & | G | ) |