Index

A

AboutButton() (class) add_libraries_command() (in module smartsexplore.smarts.commands) add_library() (in module smartsexplore.smarts.actions) add_library_command() (in module smartsexplore.smarts.commands) appDescription() (class) appDescription.beforeMount() (appDescription method) appDescription.computed (appDescription attribute) appDescription.computed.displayMatches() (appDescription.computed method) appDescription.computed.edgeActiveFn() (appDescription.computed method) appDescription.computed.edgeClassFn() (appDescription.computed method) appDescription.computed.edgeColorFn() (appDescription.computed method) appDescription.computed.edgeStyleFn() (appDescription.computed method) appDescription.computed.graphLibraries() (appDescription.computed method) appDescription.computed.libraryToColor() (appDescription.computed method) appDescription.computed.nodeActiveFn() (appDescription.computed method)

appDescription.computed.nodeClassFn() (appDescription.computed method) appDescription.computed.nodeColorFn() (appDescription.computed method) appDescription.computed.nodeVisibleFn_() (appDescription.computed method) appDescription.computed.similarityToColor() (appDescription.computed method) appDescription.data() (appDescription method) appDescription.watch (appDescription attribute) appDescription.watch."settings.searchString"() (appDescription.watch."settings method) appDescription.watch.graphLibraries() (appDescription.watch method) appDescription.watch.selectedObject() (appDescription.watch method) ArrowheadMarker() (class) ArrowheadMarkers() (class) attach_to_blueprint() (in module smartsexplore.database.commands) (in module smartsexplore.molecules.routes) (in module smartsexplore.smarts.commands) (in module smartsexplore.smarts.routes)

C

calculate_edges() (in module smartsexplore.smarts.actions) calculate_edges_command() (in module smartsexplore.smarts.commands) calculate_molecule_matches() (in module smartsexplore.molecules.actions)

close_session() (in module smartsexplore.database.util) create_app() (in module smartsexplore) create_molecules_from_smiles_file() (in module smartsexplore.molecules.actions)

D

data() (in module smartsexplore.smarts.routes) deliver_molecule_image() (in module smartsexplore.molecules.routes) deliver_smartssubset() (in module smartsexplore.smarts.routes) deliver_smartsview() (in module smartsexplore.smarts.routes) DirectedEdge (class in smartsexplore.database.models) draw_all_smarts_command() (in module smartsexplore.smarts.commands)

draw_all_subsets_command() (in module smartsexplore.smarts.commands) draw_molecules_from_molset() (in module smartsexplore.molecules.draw) draw_multiple_smarts() (in module smartsexplore.smarts.draw) draw_multiple_smarts_subset_relations() (in module smartsexplore.smarts.draw) draw_one_smarts() (in module smartsexplore.smarts.draw) draw_one_smarts_subset_relation() (in module smartsexplore.smarts.draw)

E

Edge() (class)

F

from_db() (in module smartsexplore.smarts.to_json)

from_id (smartsexplore.database.models.DirectedEdge attribute) from_smarts (smartsexplore.database.models.DirectedEdge attribute)

G

get_db() (in module smartsexplore.database.util) get_session() (in module smartsexplore.database.util) getLibrariesFromGraph() (built-in function) Graph() (class) Graph._createEdge() (Graph method) Graph._createNode() (Graph method) Graph._findMarkAndSortEqualEdges() (Graph method)

Graph.addEdge() (Graph method) Graph.addNode() (Graph method) Graph.getCCs() (Graph method) Graph.getEdgeById() (Graph method) Graph.getNodeById() (Graph method) Graph.plainClone() (Graph method) Graph.runDFS() (Graph method) Graph.setPositionsFromCCs() (Graph method)

H

high_id (smartsexplore.database.models.UndirectedEdge attribute)

high_smarts (smartsexplore.database.models.UndirectedEdge attribute)

I

id (smartsexplore.database.models.DirectedEdge attribute) (smartsexplore.database.models.Match attribute) (smartsexplore.database.models.Molecule attribute) (smartsexplore.database.models.MoleculeSet attribute) (smartsexplore.database.models.SMARTS attribute) (smartsexplore.database.models.UndirectedEdge attribute)

InfoBox() (class) InfoBox.computed (InfoBox attribute) InfoBox.computed.objType() (InfoBox.computed method) InfoBox.computed.previewHref() (InfoBox.computed method) InfoBox.computed.title() (InfoBox.computed method) init_db() (in module smartsexplore.database.util) init_db_command() (in module smartsexplore.database.commands)

L

librariesToColorMapping() (built-in function) library (smartsexplore.database.models.SMARTS attribute)

low_id (smartsexplore.database.models.UndirectedEdge attribute) low_smarts (smartsexplore.database.models.UndirectedEdge attribute)

M

Match (class in smartsexplore.database.models) matches_for_molecule_set() (in module smartsexplore.molecules.routes) MatchesGrid() (class) MatchesGrid.methods (MatchesGrid attribute) MatchesGrid.methods.getMoleculeImageURL() (MatchesGrid.methods method) MatchesGrid.props (MatchesGrid attribute) MatchesGrid.props.classFn (MatchesGrid.props attribute) MatchesGrid.props.matches (MatchesGrid.props attribute) matchesSearchRegexp() (built-in function) mcssim (smartsexplore.database.models.DirectedEdge attribute) (smartsexplore.database.models.UndirectedEdge attribute) module smartsexplore smartsexplore.database smartsexplore.database.commands smartsexplore.database.models smartsexplore.database.util smartsexplore.molecules smartsexplore.molecules.actions smartsexplore.molecules.draw smartsexplore.molecules.routes smartsexplore.parsers smartsexplore.smarts smartsexplore.smarts.actions smartsexplore.smarts.commands smartsexplore.smarts.draw smartsexplore.smarts.routes smartsexplore.smarts.to_json smartsexplore.util

Molecule (class in smartsexplore.database.models) molecule (smartsexplore.database.models.Match attribute) molecule_id (smartsexplore.database.models.Match attribute) molecules (smartsexplore.database.models.MoleculeSet attribute) molecules_to_temporary_smiles_file() (in module smartsexplore.database.util) MoleculeSet (class in smartsexplore.database.models) molset (smartsexplore.database.models.Molecule attribute) molset_id (smartsexplore.database.models.Molecule attribute)

N

name (smartsexplore.database.models.Molecule attribute) (smartsexplore.database.models.SMARTS attribute)

Node() (class) NoSMARTSException

P

parse_moleculematch() (in module smartsexplore.parsers) parse_smartscompare() (in module smartsexplore.parsers)

pattern (smartsexplore.database.models.Molecule attribute) (smartsexplore.database.models.SMARTS attribute)

R

RangeSlider() (class) RangeSlider.mounted() (RangeSlider method) RangeSlider.props (RangeSlider attribute) RangeSlider.props.max (RangeSlider.props attribute) RangeSlider.props.min (RangeSlider.props attribute)

RangeSlider.props.modelValue (RangeSlider.props attribute) RangeSlider.props.startMax (RangeSlider.props attribute) RangeSlider.props.startMin (RangeSlider.props attribute) RangeSlider.props.step (RangeSlider.props attribute) run_process() (in module smartsexplore.util)

S

SimulatedGraph() (class) SMARTS (class in smartsexplore.database.models) smarts (smartsexplore.database.models.Match attribute) smarts_id (smartsexplore.database.models.Match attribute) smartsexplore module smartsexplore.database module smartsexplore.database.commands module smartsexplore.database.models module smartsexplore.database.util module smartsexplore.molecules module smartsexplore.molecules.actions module smartsexplore.molecules.draw module smartsexplore.molecules.routes module smartsexplore.parsers module smartsexplore.smarts module smartsexplore.smarts.actions module smartsexplore.smarts.commands module smartsexplore.smarts.draw module smartsexplore.smarts.routes module smartsexplore.smarts.to_json module smartsexplore.util module SmartsGraph() (class) SmartsGraph.beforeMount() (SmartsGraph method)

SmartsGraph.computed (SmartsGraph attribute) SmartsGraph.computed.activeEdges() (SmartsGraph.computed method) SmartsGraph.computed.activeNodes() (SmartsGraph.computed method) SmartsGraph.computed.nodeClassFn_() (SmartsGraph.computed method) SmartsGraph.methods (SmartsGraph attribute) SmartsGraph.methods.handleBackgroundClick() (SmartsGraph.methods method) SmartsGraph.methods.handleNodeDblClick() (SmartsGraph.methods method) SmartsGraph.methods.handleNodeDrag() (SmartsGraph.methods method) SmartsGraph.methods.handleNodeDragEnd() (SmartsGraph.methods method) SmartsGraph.methods.handleNodeDragStart() (SmartsGraph.methods method) SmartsGraph.methods.initGraphSimulation() (SmartsGraph.methods method) SmartsGraph.methods.initGraphZoom() (SmartsGraph.methods method) SmartsGraph.methods.initSimulation() (SmartsGraph.methods method) SmartsGraph.methods.onSimulationTick() (SmartsGraph.methods method) SmartsGraph.methods.restartSimulation() (SmartsGraph.methods method) SmartsGraph.mounted() (SmartsGraph method) SmartsGraph.props (SmartsGraph attribute) SmartsGraph.props.edgeActiveFn (SmartsGraph.props attribute) SmartsGraph.props.edgeClassFn (SmartsGraph.props attribute) SmartsGraph.props.edgeColorFn (SmartsGraph.props attribute) SmartsGraph.props.edgeStyleFn (SmartsGraph.props attribute) SmartsGraph.props.graph (SmartsGraph.props attribute) SmartsGraph.props.nodeActiveFn (SmartsGraph.props attribute) SmartsGraph.props.nodeClassFn (SmartsGraph.props attribute) SmartsGraph.props.nodeColorFn (SmartsGraph.props attribute) SmartsGraph.props.nodeStyleFn (SmartsGraph.props attribute) SmartsInfo() (class) SmartsNode() (class) SmartsNodes() (class) SmartsSubsetEdge() (class) SmartsSubsetEdgeInfo() (class) SmartsSubsetEdgeInfo.computed (SmartsSubsetEdgeInfo attribute) SmartsSubsetEdgeInfo.computed.commonMatches() (SmartsSubsetEdgeInfo.computed method) SmartsSubsetEdgeInfo.computed.differentMatches() (SmartsSubsetEdgeInfo.computed method) SmartsSubsetEdgeInfo.props (SmartsSubsetEdgeInfo attribute) SmartsSubsetEdgeInfo.props.edge (SmartsSubsetEdgeInfo.props attribute) SmartsSubsetEdgeInfo.props.showMatches (SmartsSubsetEdgeInfo.props attribute) SmartsSubsetEdges() (class) spsim (smartsexplore.database.models.DirectedEdge attribute) (smartsexplore.database.models.UndirectedEdge attribute)

T

to_id (smartsexplore.database.models.DirectedEdge attribute)

to_smarts (smartsexplore.database.models.DirectedEdge attribute)

U

UndirectedEdge (class in smartsexplore.database.models)

upload_molecule_set() (in module smartsexplore.molecules.routes)

W

write_smarts_to_tempfile() (in module smartsexplore.database.util)