Index

_

__init__() (linchemin.cgu.graph_transformations.data_model_converters.DataModelCatalog method) (linchemin.cgu.graph_transformations.data_model_converters.DataModelConverter method) (linchemin.cgu.graph_transformations.format_translators.GraphFormatCatalog method) (linchemin.cgu.graph_transformations.format_translators.GraphFormatTranslator method) (linchemin.cgu.iron.Direction method) (linchemin.cgu.iron.Edge method) (linchemin.cgu.iron.Iron method) (linchemin.cgu.iron.Node method) (linchemin.cgu.syngraph.BipartiteSynGraph method) (linchemin.cgu.syngraph.MonopartiteMolSynGraph method) (linchemin.cgu.syngraph.MonopartiteReacSynGraph method) (linchemin.cgu.syngraph.SynGraph method) (linchemin.cheminfo.atom_mapping.Mapper method) (linchemin.cheminfo.atom_mapping.MappingOutput method) (linchemin.cheminfo.constructors.ChemicalEquationConstructor method) (linchemin.cheminfo.constructors.MoleculeConstructor method) (linchemin.cheminfo.models.ChemicalEquation method) (linchemin.cheminfo.models.Molecule method) (linchemin.cheminfo.models.Ratam method) (linchemin.configuration.config.ConfigurationFileHandler method) (linchemin.interfaces.workflows.WorkflowOutput method) (linchemin.rem.clustering.ClusterCalculator method) (linchemin.rem.clustering.ClusterFactory method) (linchemin.rem.graph_distance.Ged method) (linchemin.rem.graph_distance.GedFactory method) (linchemin.rem.route_descriptors.DescriptorsCalculatorFactory method) (linchemin.rem.route_descriptors.RouteDescriptor method)

A

add_edge() (linchemin.cgu.iron.Iron method) add_node() (linchemin.cgu.iron.Iron method) (linchemin.cgu.syngraph.SynGraph method)

add_reaction_to_syngraph() (in module linchemin.cgu.syngraph_operations)

B

BipartiteSynGraph (class in linchemin.cgu.syngraph)

C

ChemicalEquation (class in linchemin.cheminfo.models) ChemicalEquationConstructor (class in linchemin.cheminfo.constructors) ClusterCalculator (class in linchemin.rem.clustering) clusterer() (in module linchemin.rem.clustering) ClusterFactory (class in linchemin.rem.clustering)

compute_descriptor() (linchemin.rem.route_descriptors.RouteDescriptor method) compute_distance_matrix() (in module linchemin.rem.graph_distance) compute_ged() (linchemin.rem.graph_distance.Ged method) ConfigurationFileHandler (class in linchemin.configuration.config) converter() (in module linchemin.cgu.convert)

D

DataModelCatalog (class in linchemin.cgu.graph_transformations.data_model_converters) DataModelConverter (class in linchemin.cgu.graph_transformations.data_model_converters)

descriptor_calculator() (in module linchemin.rem.route_descriptors) DescriptorsCalculatorFactory (class in linchemin.rem.route_descriptors) Direction (class in linchemin.cgu.iron)

E

Edge (class in linchemin.cgu.iron)

extract_reactions_from_syngraph() (in module linchemin.cgu.syngraph_operations)

F

facade() (in module linchemin.interfaces.facade)

facade_helper() (in module linchemin.interfaces.facade) from_iron() (linchemin.cgu.graph_transformations.format_translators.GraphFormatTranslator method)

G

Ged (class in linchemin.rem.graph_distance) GedFactory (class in linchemin.rem.graph_distance) get_clustering() (linchemin.rem.clustering.ClusterCalculator method)

get_workflow_options() (in module linchemin.interfaces.workflows) graph_distance_factory() (in module linchemin.rem.graph_distance) GraphFormatCatalog (class in linchemin.cgu.graph_transformations.format_translators) GraphFormatTranslator (class in linchemin.cgu.graph_transformations.format_translators)

I

Iron (class in linchemin.cgu.iron)

iron_to_syngraph() (linchemin.cgu.graph_transformations.data_model_converters.DataModelConverter method)

L

linchemin.cgu.convert module linchemin.cgu.graph_transformations.data_model_converters module linchemin.cgu.graph_transformations.format_translators module linchemin.cgu.iron module linchemin.cgu.route_mining module linchemin.cgu.syngraph module linchemin.cgu.syngraph_operations module linchemin.cgu.translate module linchemin.cheminfo.atom_mapping module

linchemin.cheminfo.constructors module linchemin.cheminfo.models module linchemin.configuration.config module linchemin.interfaces module, [1] linchemin.interfaces.facade module linchemin.interfaces.workflows module linchemin.rem.clustering module linchemin.rem.graph_distance module linchemin.rem.route_descriptors module

M

map_chemical_equations() (linchemin.cheminfo.atom_mapping.Mapper method) Mapper (class in linchemin.cheminfo.atom_mapping) MappingOutput (class in linchemin.cheminfo.atom_mapping) merge_syngraph() (in module linchemin.cgu.syngraph_operations) mine_routes() (in module linchemin.cgu.route_mining) module linchemin.cgu.convert linchemin.cgu.graph_transformations.data_model_converters linchemin.cgu.graph_transformations.format_translators linchemin.cgu.iron linchemin.cgu.route_mining linchemin.cgu.syngraph linchemin.cgu.syngraph_operations linchemin.cgu.translate linchemin.cheminfo.atom_mapping linchemin.cheminfo.constructors linchemin.cheminfo.models linchemin.configuration.config linchemin.interfaces, [1] linchemin.interfaces.facade linchemin.interfaces.workflows linchemin.rem.clustering linchemin.rem.graph_distance linchemin.rem.route_descriptors

Molecule (class in linchemin.cheminfo.models) MoleculeConstructor (class in linchemin.cheminfo.constructors) MonopartiteMolSynGraph (class in linchemin.cgu.syngraph) MonopartiteReacSynGraph (class in linchemin.cgu.syngraph)

N

Node (class in linchemin.cgu.iron)

P

perform_atom_mapping() (in module linchemin.cheminfo.atom_mapping)

process_routes() (in module linchemin.interfaces.workflows)

R

Ratam (class in linchemin.cheminfo.models)

remove_reaction_from_syngraph() (in module linchemin.cgu.syngraph_operations) RouteDescriptor (class in linchemin.rem.route_descriptors)

S

SynGraph (class in linchemin.cgu.syngraph)

syngraph_to_iron() (linchemin.cgu.graph_transformations.data_model_converters.DataModelConverter method)

T

to_iron() (linchemin.cgu.graph_transformations.format_translators.GraphFormatTranslator method)

translator() (in module linchemin.cgu.translate)

W

WorkflowOutput (class in linchemin.interfaces.workflows)