Commit 0ae29760 authored by Markus Scheidgen's avatar Markus Scheidgen
Browse files

Refactored QuantityHistogram.

parent 44c7e693
{
"ems.chemical": {
"name": "ems.chemical",
"description": null,
"many": false
},
"ems.sample_constituents": {
"name": "ems.sample_constituents",
"description": null,
"many": false
},
"ems.sample_microstructure": {
"name": "ems.sample_microstructure",
"description": null,
"many": false
},
"ems.experiment_summary": {
"name": "ems.experiment_summary",
"description": null,
"many": false
},
"ems.experiment_location": {
"name": "ems.experiment_location",
"description": null,
"many": false
},
"ems.experiment_time": {
"name": "ems.experiment_time",
"description": null,
"many": false
},
"ems.method": {
"name": "ems.method",
"description": null,
"many": false
},
"ems.probing_method": {
"name": "ems.probing_method",
"description": null,
"many": false
},
"ems.repository_name": {
"name": "ems.repository_name",
"description": null,
"many": false
},
"ems.repository_url": {
"name": "ems.repository_url",
"description": null,
"many": false
},
"ems.entry_repository_url": {
"name": "ems.entry_repository_url",
"description": null,
"many": false
},
"ems.preview_url": {
"name": "ems.preview_url",
"description": null,
"many": false
},
"ems.quantities": {
"name": "ems.quantities",
"description": null,
"many": false
},
"ems.group_hash": {
"name": "ems.group_hash",
"description": null,
"many": false
},
"labels.label": {
"name": "labels.label",
"description": null,
"many": false
},
"labels.type": {
"name": "labels.type",
"description": null,
"many": false
},
"labels.source": {
"name": "labels.source",
"description": null,
"many": false
},
"optimade.elements": {
"name": "optimade.elements",
"description": "Names of the different elements present in the structure.",
"many": false
},
"optimade.nelements": {
"name": "optimade.nelements",
"description": "Number of different elements in the structure as an integer.",
"many": false
},
"optimade.elements_ratios": {
"name": "optimade.elements_ratios",
"description": "Relative proportions of different elements in the structure.",
"many": false
},
"optimade.chemical_formula_descriptive": {
"name": "optimade.chemical_formula_descriptive",
"description": "The chemical formula for a structure as a string in a form chosen by the API\nimplementation.",
"many": false
},
"optimade.chemical_formula_reduced": {
"name": "optimade.chemical_formula_reduced",
"description": "The reduced chemical formula for a structure as a string with element symbols and\ninteger chemical proportion numbers. The proportion number MUST be omitted if it is 1.",
"many": false
},
"optimade.chemical_formula_hill": {
"name": "optimade.chemical_formula_hill",
"description": "The chemical formula for a structure in Hill form with element symbols followed by\ninteger chemical proportion numbers. The proportion number MUST be omitted if it is 1.",
"many": false
},
"optimade.chemical_formula_anonymous": {
"name": "optimade.chemical_formula_anonymous",
"description": "The anonymous formula is the chemical_formula_reduced, but where the elements are\ninstead first ordered by their chemical proportion number, and then, in order left to\nright, replaced by anonymous symbols A, B, C, ..., Z, Aa, Ba, ..., Za, Ab, Bb, ... and\nso on.",
"many": false
},
"optimade.dimension_types": {
"name": "optimade.dimension_types",
"description": "List of three integers. For each of the three directions indicated by the three lattice\nvectors (see property lattice_vectors). This list indicates if the direction is\nperiodic (value 1) or non-periodic (value 0). Note: the elements in this list each\nrefer to the direction of the corresponding entry in lattice_vectors and not\nthe Cartesian x, y, z directions.",
"many": false
},
"optimade.nsites": {
"name": "optimade.nsites",
"description": "An integer specifying the length of the cartesian_site_positions property.",
"many": false
},
"optimade.structure_features": {
"name": "optimade.structure_features",
"description": "A list of strings that flag which special features are used by the structure.\n\n- disorder: This flag MUST be present if any one entry in the species list has a\nchemical_symbols list that is longer than 1 element.\n- unknown_positions: This flag MUST be present if at least one component of the\ncartesian_site_positions list of lists has value null.\n- assemblies: This flag MUST be present if the assemblies list is present.",
"many": false
},
"dft.basis_set": {
"name": "dft.basis_set",
"description": "The used basis set functions.",
"many": false
},
"dft.xc_functional": {
"name": "dft.xc_functional",
"description": "The libXC based xc functional classification used in the simulation.",
"many": false
},
"dft.system": {
"name": "dft.system",
"description": "The system type of the simulated system.",
"many": false
},
"dft.compound_type": {
"name": "dft.compound_type",
"description": "The compound type of the simulated system.",
"many": false
},
"dft.crystal_system": {
"name": "dft.crystal_system",
"description": "The crystal system type of the simulated system.",
"many": false
},
"dft.spacegroup": {
"name": "dft.spacegroup",
"description": "The spacegroup of the simulated system as number.",
"many": false
},
"dft.spacegroup_symbol": {
"name": "dft.spacegroup_symbol",
"description": "The spacegroup as international short symbol.",
"many": false
},
"dft.code_name": {
"name": "dft.code_name",
"description": "The name of the used code.",
"many": false
},
"dft.code_version": {
"name": "dft.code_version",
"description": "The version of the used code.",
"many": false
},
"dft.n_geometries": {
"name": "dft.n_geometries",
"description": "Number of unique geometries.",
"many": false
},
"dft.n_calculations": {
"name": "dft.n_calculations",
"description": "Number of single configuration calculation sections",
"many": false
},
"dft.n_total_energies": {
"name": "dft.n_total_energies",
"description": "Number of total energy calculations",
"many": false
},
"dft.n_quantities": {
"name": "dft.n_quantities",
"description": "Number of metainfo quantities parsed from the entry.",
"many": false
},
"dft.quantities": {
"name": "dft.quantities",
"description": "All quantities that are used by this entry.",
"many": true
},
"dft.searchable_quantities": {
"name": "dft.searchable_quantities",
"description": "Energy-related quantities.",
"many": true
},
"dft.geometries": {
"name": "dft.geometries",
"description": "Hashes for each simulated geometry",
"many": false
},
"dft.group_hash": {
"name": "dft.group_hash",
"description": "Hashes that describe unique geometries simulated by this code run.",
"many": true
},
"dft.labels_springer_compound_class": {
"name": "dft.labels_springer_compound_class",
"description": "Springer compund classification.",
"many": true
},
"dft.labels_springer_classification": {
"name": "dft.labels_springer_classification",
"description": "Springer classification by property.",
"many": true
},
"upload_id": {
"name": "upload_id",
"description": "A random UUID that uniquely identifies the upload of the entry.",
"many": true
},
"calc_id": {
"name": "calc_id",
"description": "A unique ID based on the upload id and entry's mainfile.",
"many": true
},
"calc_hash": {
"name": "calc_hash",
"description": "A raw file content based checksum/hash.",
"many": true
},
"mainfile": {
"name": "mainfile",
"description": "Search within the mainfile path.",
"many": true
},
"mainfile_path": {
"name": "mainfile_path",
"description": "Search for the exact mainfile.",
"many": true
},
"path": {
"name": "path",
"description": "Search within the paths.",
"many": false
},
"files": {
"name": "files",
"description": "Search for exact paths.",
"many": true
},
"pid": {
"name": "pid",
"description": "The unique, sequentially enumerated, integer persistent identifier",
"many": true
},
"raw_id": {
"name": "raw_id",
"description": "A raw format specific id that was acquired from the files of this entry",
"many": true
},
"domain": {
"name": "domain",
"description": "The material science domain",
"many": false
},
"published": {
"name": "published",
"description": "Indicates if the entry is published",
"many": false
},
"processed": {
"name": "processed",
"description": "Indicates that the entry is successfully processed.",
"many": false
},
"last_processing": {
"name": "last_processing",
"description": "The datetime of the last attempted processing.",
"many": false
},
"nomad_version": {
"name": "nomad_version",
"description": "The NOMAD version used for the last processing attempt.",
"many": true
},
"nomad_commit": {
"name": "nomad_commit",
"description": "The NOMAD commit used for the last processing attempt.",
"many": true
},
"parser_name": {
"name": "parser_name",
"description": "The NOMAD parser used for the last processing attempt.",
"many": true
},
"comment": {
"name": "comment",
"description": "A user provided comment.",
"many": false
},
"references": {
"name": "references",
"description": "User provided references (URLs).",
"many": false
},
"uploader.user_id": {
"name": "uploader.user_id",
"description": "The unique, persistent keycloak UUID",
"many": false
},
"uploader.name": {
"name": "uploader.name",
"description": null,
"many": false
},
"uploader.email": {
"name": "uploader.email",
"description": null,
"many": false
},
"uploader": {
"name": "uploader",
"description": "Search uploader with exact names.",
"many": true
},
"uploader_id": {
"name": "uploader_id",
"description": "The uploader of the entry",
"many": false
},
"authors": {
"name": "authors",
"description": "Search authors with exact names.",
"many": true
},
"owners": {
"name": "owners",
"description": "Search owner with exact names.",
"many": true
},
"with_embargo": {
"name": "with_embargo",
"description": "Indicated if this entry is under an embargo",
"many": false
},
"upload_time": {
"name": "upload_time",
"description": "The datetime this entry was uploaded to nomad",
"many": false
},
"upload_name": {
"name": "upload_name",
"description": "The user provided upload name",
"many": true
},
"datasets.dataset_id": {
"name": "datasets.dataset_id",
"description": "The unique identifier for this dataset as a string. It should be\na randomly generated UUID, similar to other nomad ids.",
"many": false
},
"datasets.name": {
"name": "datasets.name",
"description": "The human readable name of the dataset as string. The dataset name must be\nunique for the user.",
"many": false
},
"datasets.doi": {
"name": "datasets.doi",
"description": "The optional Document Object Identifier (DOI) associated with this dataset.\nNomad can register DOIs that link back to the respective representation of\nthe dataset in the nomad UI. This quantity holds the string representation of\nthis DOI. There is only one per dataset. The DOI is just the DOI name, not its\nfull URL, e.g. \"10.17172/nomad/2019.10.29-1\".",
"many": false
},
"datasets.created": {
"name": "datasets.created",
"description": "The date when the dataset was first created.",
"many": false
},
"datasets": {
"name": "datasets",
"description": "Search for a particular dataset by exact name.",
"many": true
},
"dataset_id": {
"name": "dataset_id",
"description": "Search for a particular dataset by its id.",
"many": true
},
"external_id": {
"name": "external_id",
"description": "A user provided external id.",
"many": true
},
"last_edit": {
"name": "last_edit",
"description": "The datetime the user metadata was edited last.",
"many": false
},
"formula": {
"name": "formula",
"description": "A (reduced) chemical formula.",
"many": false
},
"atoms": {
"name": "atoms",
"description": "The atom labels of all atoms of the entry's material.",
"many": true
},
"only_atoms": {
"name": "only_atoms",
"description": "The atom labels concatenated in order-number order.",
"many": true
},
"n_atoms": {
"name": "n_atoms",
"description": "The number of atoms in the entry's material",
"many": false
}
}
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