Data Structures

Here are the data structures with brief descriptions:

[detail level 12345]

ggl
chem
AP_disabled	Disables aromaticity prediction
AP_NSPDK	NSPDK-based aromaticity prediction
AP_NSPDK_Model	NSPDK aromaticity model
AromaticityPerception	Interface - aromaticity prediction
AdjacencyComp	Comparator for edge processing order
AdjacencyData
RingDescriptor
RingSizeLess
ChemRule	Chemical graph grammar rule
TransitionState
ChemRule_Constants	Consistency codes and constants
ClassIDGraph
EC_MoleculeDecomposition	Molecule energy ala Jankowski et al
EnergyCalculation	Interface molecule energy calculation
EnergyCalculationConstants	Constants for energy calculations
GS_chem	Interface molecule graph storage
edge_is_in_component
node_is_in_component
GS_MolCheck	Molecule correction graph storage
GS_SMILES	SMILES graph storage
GS_SMILES_MOL	SMILES graph storage using STL SMILES-Graph map
GS_SMILES_MOLp	SMILES graph storage using STL SMILES-GraphPointer map
GS_SMILES_OB	SMILES graph storage OpenBabel
GS_SMILES_OB_MOL	SMILES graph storage OpenBabel using STL SMILES-Graph map
GS_SMILES_OB_MOLp	SMILES graph storage OpenBabel using STL SMILES-GraphPointer map
LeftSidePattern	LeftSidePattern graph of a ggl::chem::ChemRule
MC_MC_NodeAdjacency	Match constraints of MoleculeComponents
MC_MC_NodeLabel
MoleculeComponent	Molecule component definition
RingFragment	Ring fragment description
MoleculeComponent_GML_grammar	MoleculeComponent parser
definition	The definition of the GML grammar
MoleculeComponent_GMLparser	MoleculeComponent parser
MoleculeDecomposition	Molecule energy estimation ala Jankowski et al
DecompositionReporter
MC_MC_RingNode
priority_order
RingDescriptor	Descriptor of a ring within the molecule
MoleculeOB	OpenBabel molecule object port
MoleculeUtil	Molecule utility factory
AtomLabelData
BondLabelData
MR_Reactions	Reaction match reporter
Reaction	Reaction description
ReactionRateCalculation	Interface reaction rate calculation
ReactionTransitionState	Transition state of a reaction
RRC_ArrheniusLaw	Arrhenius law based reaction rate calculation
RRC_Fixed
RRC_TState
SMILES_grammar	SMILES molecule parser
definition	The definition of the SMILES grammar
atom1_parser
atom2_parser
Atom_closure	Utility helper class for parsing
AtomInfo
bond_parser
simpleSymbol_parser
SMILESparser	SMILES molecule parser
SMILESwriter	Molecule to SMILES writer
NodeData
SMILESwriterOB	Molecule to SMILES writer via OpenBabel
DFS_ApplyRule
DFS_ABORTION	Dummy class to trigger DFS abortion via exception handling
DFS_Visitor
Graph_GML_grammar	Graph GML parser
definition	The definition of the GML grammar
keys_map
keyvalue_closure
lt_edge
lt_node
Graph_GML_writer	Graph GML writer
Graph_GMLparser	Graph GML parser
Graph_gSpan_writer	Graph gSpan writer
Graph_GXL_writer	Graph GXL writer
Graph_Storage	Interface graph storage
GS_STL_pushAllPT	Stores new graph pointers in STL push-back container
GS_STL_pushAllT	Graph storage within STL push-back container
GS_STL_pushUniquePT	Unique storage of new graph pointers in STL push-back container
GS_STL_pushUniqueT	Unique storage of graphs in STL push-back container
GS_stream	Graph storage within output stream
LeftSidePattern	Rule left side pattern
EdgeDescriptor
MR_ApplyRule	Graph Grammar Rule application for each reported match
RightSidePattern	Rule right side graph
EdgeDescriptor
Rule
EdgeContextProperty
NodeContextProperty
NodeRightLabelProperty
RuleCnP
RuleSide
Rule_ConCodes	Rule consistency codes
Rule_GML_error	Rule parsing error
Rule_GML_grammar	Graph grammar rule parser
definition	The definition of the GML grammar
keys_map
keyvalue_closure
lt_edge
lt_node
Rule_GML_writer	Rule GML writer
Rule_GMLparser	Graph grammar rule parser
sgm
GM_vf2	VF2 graph isomorphism
EdgeLabelComparator
NodeComparator
Graph_boost	Graph_Interface wrapper for boost graphs
EdgeDescriptor
Graph_boostV_p	Graph_Interface wrapper for set of boost graphs
EdgeDescriptor
Graph_Interface	Interface of graphs for graph matching
Edge_iterator
EdgeDescriptor
OutEdge_iterator
GraphMatching	Interface graph isomorphism
GraphScaffold
RR_Annotation
hash_string
Match_Reporter	Interface graph match reporting
MC_Edge	Interface edge match constraint
MC_EdgeLabel	Constrains edge labels within a match
MC_Node	Interface node match constraints
MC_NodeAdjacency	Constrains a node's adjacency for a match
MC_NodeLabel	Constrains a node's labels for a matching
MC_NoEdge	Forbids an edge within a match
MR_Counting	Counts matches
MR_StoringInsertT
MR_StoringT	Stores each match in an STL container
MR_stream	Writes each match to an output stream
MR_SymmBreak	Symmetry breaking among matches
NSPDK_port	Ports NSPDK functionality to SGM
PA_OrderCheck	Order based automorphism exclusion
Pattern
Pattern_Automorphism	Automorphism description for patterns
Pattern_Interface	Pattern description to be matched
Match_Constraint
RingPerception	Interface ring enumeration
RingReporter	Interface to report found rings
RP_Hanser96	Ring enumeration ala Hanser et al
degree_sort
LoopBondReporter
RingInfo	Information on the current ring part
SGM_vf2	VF2-based subgraph matching
EdgeLabelComparator
NodeComparator
SubGraph	Subgraph of a Graph_Interface for matching
EdgeDescriptor
SubGraphMatching	Interface for subgraph monomorphism
SubGraphPattern
VF2_MatchingHandler	General VF2-matching functionalities
LabelComparator
NodeData	Data handler for node information used for node comparison
VF2_match_handler	Handles match reporting from VF2-engine