Index A | C | D | F | G | H | I | K | M | N | O | P | Q | R | S | T | U | V | W A Activity (class in atomrdf.datamodels.activity) add() (atomrdf.graph.KnowledgeGraph method), [1] (atomrdf.KnowledgeGraph method), [1] archive() (atomrdf.graph.KnowledgeGraph method) (atomrdf.KnowledgeGraph method) AtomAttribute (class in atomrdf.datamodels.structure) AtomicScaleSample (class in atomrdf.datamodels.structure) atomrdf module atomrdf.build.bulk module atomrdf.build.defect module atomrdf.datamodels.activity module atomrdf.datamodels.dataset module atomrdf.datamodels.physicalquantities module atomrdf.datamodels.structure module atomrdf.graph module atomrdf.io.workflow_parser module atomrdf.namespace module atomrdf.properties module atomrdf.stores module atomrdf.visualize module C close() (atomrdf.graph.KnowledgeGraph method) (atomrdf.KnowledgeGraph method) close_store() (atomrdf.graph.KnowledgeGraph method) (atomrdf.KnowledgeGraph method) create_node() (atomrdf.graph.KnowledgeGraph method) (atomrdf.KnowledgeGraph method) create_store() (in module atomrdf.stores) Creator (class in atomrdf.datamodels.dataset) CrystalStructure (class in atomrdf.datamodels.structure) D Dataset (class in atomrdf.datamodels.dataset) debug (atomrdf.io.workflow_parser.WorkflowParser attribute) (atomrdf.WorkflowParser attribute) dislocation() (in module atomrdf.build.defect) F from_dict() (atomrdf.datamodels.dataset.Dataset class method) from_file() (atomrdf.datamodels.structure.AtomicScaleSample class method) (atomrdf.io.workflow_parser.WorkflowParser method) (atomrdf.WorkflowParser method) from_repository() (atomrdf.datamodels.structure.AtomicScaleSample class method) from_workflow_input() (in module atomrdf.io.workflow_parser) G get_basis_positions() (in module atomrdf.properties) get_bravais_lattice() (in module atomrdf.properties) get_cell_volume() (in module atomrdf.properties) get_chemical_composition() (in module atomrdf.properties) get_crystal_structure_name() (in module atomrdf.properties) get_lattice_angle() (in module atomrdf.properties) get_lattice_parameter() (in module atomrdf.properties) get_lattice_vector() (in module atomrdf.properties) get_number_of_atoms() (in module atomrdf.properties) get_position() (in module atomrdf.properties) get_sample_as_structure() (atomrdf.graph.KnowledgeGraph method), [1] (atomrdf.KnowledgeGraph method), [1] get_simulation_cell_angle() (in module atomrdf.properties) get_simulation_cell_length() (in module atomrdf.properties) get_simulation_cell_vector() (in module atomrdf.properties) get_spacegroup_number() (in module atomrdf.properties) get_spacegroup_symbol() (in module atomrdf.properties) get_species() (in module atomrdf.properties) get_string_from_URI() (in module atomrdf.visualize) GEXF_CATEGORY_COLORS (in module atomrdf.visualize) grain_boundary() (in module atomrdf.build.defect) graph (atomrdf.graph.KnowledgeGraph attribute) (atomrdf.KnowledgeGraph attribute) H hash_threshold (atomrdf.io.workflow_parser.WorkflowParser attribute) (atomrdf.WorkflowParser attribute) I interstitial() (in module atomrdf.build.defect) invalidate_cache() (atomrdf.graph.KnowledgeGraph method) (atomrdf.KnowledgeGraph method) K kg (atomrdf.io.workflow_parser.WorkflowParser attribute) (atomrdf.WorkflowParser attribute) KnowledgeGraph (class in atomrdf) (class in atomrdf.graph) M Material (class in atomrdf.datamodels.structure) merge_archive() (atomrdf.graph.KnowledgeGraph method) (atomrdf.KnowledgeGraph method) model_config (atomrdf.datamodels.activity.Activity attribute) (atomrdf.datamodels.dataset.Creator attribute) (atomrdf.datamodels.dataset.Dataset attribute) (atomrdf.datamodels.dataset.Publication attribute) (atomrdf.datamodels.physicalquantities.PhysicalQuantity attribute) (atomrdf.datamodels.structure.AtomAttribute attribute) (atomrdf.datamodels.structure.AtomicScaleSample attribute) (atomrdf.datamodels.structure.CrystalStructure attribute) (atomrdf.datamodels.structure.Material attribute) (atomrdf.datamodels.structure.SimulationCell attribute) (atomrdf.datamodels.structure.UnitCell attribute) module atomrdf atomrdf.build.bulk atomrdf.build.defect atomrdf.datamodels.activity atomrdf.datamodels.dataset atomrdf.datamodels.physicalquantities atomrdf.datamodels.structure atomrdf.graph atomrdf.io.workflow_parser atomrdf.namespace atomrdf.properties atomrdf.stores atomrdf.visualize N n_samples (atomrdf.graph.KnowledgeGraph property) (atomrdf.KnowledgeGraph property) O ontology (atomrdf.graph.KnowledgeGraph attribute) (atomrdf.KnowledgeGraph attribute) P parse() (atomrdf.io.workflow_parser.WorkflowParser method) (atomrdf.WorkflowParser method) parse_generic() (in module atomrdf.io.workflow_parser) parse_math_operations() (atomrdf.io.workflow_parser.WorkflowParser method) (atomrdf.WorkflowParser method) parse_object() (in module atomrdf.visualize) parse_operation() (in module atomrdf.io.workflow_parser) parse_operations() (atomrdf.io.workflow_parser.WorkflowParser method) (atomrdf.WorkflowParser method) parse_sample() (in module atomrdf.io.workflow_parser) parse_samples() (atomrdf.io.workflow_parser.WorkflowParser method) (atomrdf.WorkflowParser method) parse_workflow() (in module atomrdf.io.workflow_parser) parse_workflow_yaml() (in module atomrdf.io.workflow_parser) parse_workflows() (atomrdf.io.workflow_parser.WorkflowParser method) (atomrdf.WorkflowParser method) PhysicalQuantity (class in atomrdf.datamodels.physicalquantities) precision (atomrdf.io.workflow_parser.WorkflowParser attribute) (atomrdf.WorkflowParser attribute) properties (atomrdf.graph.KnowledgeGraph property) (atomrdf.KnowledgeGraph property) property_map (atomrdf.io.workflow_parser.WorkflowParser attribute) (atomrdf.WorkflowParser attribute) Publication (class in atomrdf.datamodels.dataset) purge() (atomrdf.graph.KnowledgeGraph method) (atomrdf.KnowledgeGraph method) Q query() (atomrdf.graph.KnowledgeGraph method), [1] (atomrdf.KnowledgeGraph method), [1] R reconstruct_workflow() (atomrdf.graph.KnowledgeGraph method) (atomrdf.KnowledgeGraph method) reconstruct_workflow_by_sample() (atomrdf.graph.KnowledgeGraph method) (atomrdf.KnowledgeGraph method) remove() (atomrdf.graph.KnowledgeGraph method) (atomrdf.KnowledgeGraph method) S sample_ids (atomrdf.graph.KnowledgeGraph property) (atomrdf.KnowledgeGraph property) sample_map (atomrdf.io.workflow_parser.WorkflowParser attribute) (atomrdf.WorkflowParser attribute) sample_names (atomrdf.graph.KnowledgeGraph property) (atomrdf.KnowledgeGraph property) search_property() (atomrdf.graph.KnowledgeGraph method) (atomrdf.KnowledgeGraph method) sgraph (atomrdf.graph.KnowledgeGraph attribute) (atomrdf.KnowledgeGraph attribute) SimulationCell (class in atomrdf.datamodels.structure) stacking_fault() (in module atomrdf.build.defect) store (atomrdf.graph.KnowledgeGraph attribute) (atomrdf.KnowledgeGraph attribute) store_alchemy() (in module atomrdf.stores) store_memory() (in module atomrdf.stores) store_oxigraph() (in module atomrdf.stores) substitutional() (in module atomrdf.build.defect) T terms (atomrdf.graph.KnowledgeGraph attribute) (atomrdf.KnowledgeGraph attribute) to_file() (atomrdf.datamodels.structure.AtomicScaleSample method) (atomrdf.graph.KnowledgeGraph method) (atomrdf.KnowledgeGraph method) to_gexf() (atomrdf.graph.KnowledgeGraph method) (atomrdf.KnowledgeGraph method) (in module atomrdf.visualize) trace() (atomrdf.graph.KnowledgeGraph method) (atomrdf.KnowledgeGraph method) triples() (atomrdf.graph.KnowledgeGraph method), [1] (atomrdf.KnowledgeGraph method), [1] U unarchive() (atomrdf.graph.KnowledgeGraph class method) (atomrdf.KnowledgeGraph class method) UnitCell (class in atomrdf.datamodels.structure) update_attributes() (atomrdf.datamodels.structure.AtomicScaleSample method) V value() (atomrdf.graph.KnowledgeGraph method) (atomrdf.KnowledgeGraph method) visualise() (atomrdf.graph.KnowledgeGraph method) (atomrdf.KnowledgeGraph method) visualize() (atomrdf.graph.KnowledgeGraph method) (atomrdf.KnowledgeGraph method) visualize_graph() (in module atomrdf.visualize) W WorkflowParser (class in atomrdf) (class in atomrdf.io.workflow_parser) write() (atomrdf.graph.KnowledgeGraph method) (atomrdf.KnowledgeGraph method)
