@mat3ra/esse 2023.12.25-2

package/schema/system/database_source.json

@@ -0,0 +1,40 @@
+{
+    "$id": "system/database-source",
+    "$schema": "http://json-schema.org/draft-04/schema#",
+    "title": "database source schema",
+    "description": "information about a database source",
+    "type": "object",
+    "properties": {
+        "id": {
+            "description": "ID string for the materials uploaded from a third party source inside the third party source. For materialsproject.org an example ID is mp-32",
+            "type": "string"
+        },
+        "source": {
+            "description": "Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.",
+            "type": "string"
+        },
+        "origin": {
+            "description": "A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).",
+            "type": "boolean",
+            "comment": "Deprecated. To be removed."
+        },
+        "data": {
+            "description": "Original response from external source.",
+            "type": "object"
+        },
+        "doi":{
+            "description": "Digital Object Identifier, e.g. 10.1088/0953-8984/25/10/105506",
+            "type": "string"
+        },
+        "url": {
+            "description": "The URL of the original record, e.g. https://next-gen.materialsproject.org/materials/mp-48",
+            "type": "string",
+            "comment": "ToDo: update to use URI type per https://json-schema.org/understanding-json-schema/reference/string#resource-identifiers"
+        }
+    },
+    "required": [
+        "id",
+        "source",
+        "origin"
+    ]
+}

package/schema/system/defaultable.json

@@ -0,0 +1,12 @@
+{
+    "$id": "system/defaultable",
+    "$schema": "http://json-schema.org/draft-04/schema#",
+    "title": "defaultable entity schema",
+    "properties": {
+        "isDefault": {
+            "description": "Identifies that entity is defaultable",
+            "type": "boolean",
+            "default": false
+        }
+    }
+}

package/schema/system/description.json

@@ -0,0 +1,14 @@
+{
+    "$id": "system/description",
+    "$schema": "http://json-schema.org/draft-04/schema#",
+    "title": "extended base entity schema",
+    "properties": {
+        "description": {
+            "description": "entity description",
+            "type": "string"
+        },
+        "descriptionObject": {
+            "type": "object"
+        }
+    }
+}

package/schema/system/entity_reference.json

@@ -0,0 +1,19 @@
+{
+    "$id": "system/entity-reference",
+    "$schema": "http://json-schema.org/draft-04/schema#",
+    "title": "entity reference schema",
+    "properties": {
+        "_id": {
+            "description": "entity identity",
+            "type": "string"
+        },
+        "cls": {
+            "description": "entity class",
+            "type": "string"
+        },
+        "slug": {
+            "description": "entity slug",
+            "type": "string"
+        }
+    }
+}

package/schema/system/file_source.json

@@ -0,0 +1,30 @@
+{
+    "$id": "system/file-source",
+    "$schema": "http://json-schema.org/draft-04/schema#",
+    "title": "file source schema",
+    "description": "file source with the information inside",
+    "type": "object",
+    "properties": {
+        "extension": {
+            "description": "file extension",
+            "type": "string"
+        },
+        "filename": {
+            "description": "file name without extension",
+            "type": "string"
+        },
+        "text": {
+            "description": "file content as raw text",
+            "type": "string"
+        },
+        "hash": {
+            "description": "MD5 hash based on file content",
+            "type": "string"
+        }
+    },
+    "required": [
+        "filename",
+        "text",
+        "hash"
+    ]
+}

package/schema/system/history.json

@@ -0,0 +1,25 @@
+{
+    "$id": "system/history",
+    "$schema": "http://json-schema.org/draft-04/schema#",
+    "title": "history schema",
+    "properties": {
+        "history": {
+            "type": "array",
+            "items": {
+                "type": "object",
+                "properties": {
+                    "id": {
+                        "type": "string"
+                    },
+                    "revision": {
+                        "type": "number"
+                    }
+                },
+                "required": [
+                    "id",
+                    "revision"
+                ]
+            }
+        }
+    }
+}

package/schema/system/in_set.json

@@ -0,0 +1,28 @@
+{
+    "$id": "system/in-set",
+    "$schema": "http://json-schema.org/draft-04/schema#",
+    "title": "System in-set schema",
+    "properties": {
+        "inSet": {
+            "type": "array",
+            "items": {
+                "allOf": [
+                    {
+                        "$ref": "entity_reference.json"
+                    },
+                    {
+                        "type": "object",
+                        "properties": {
+                            "type": {
+                                "type": "string"
+                            },
+                            "index": {
+                                "type": "number"
+                            }
+                        }
+                    }
+                ]
+            }
+        }
+    }
+}

package/schema/system/is_multi_material.json

@@ -0,0 +1,10 @@
+{
+    "$id": "system/is-multi-material",
+    "$schema": "http://json-schema.org/draft-04/schema#",
+    "title": "is multi schema",
+    "properties": {
+        "isMultiMaterial": {
+            "type": "boolean"
+        }
+    }
+}

package/schema/system/is_outdated.json

@@ -0,0 +1,10 @@
+{
+    "$id": "system/is-outdated",
+    "$schema": "http://json-schema.org/draft-04/schema#",
+    "title": "is outdated schema",
+    "properties": {
+        "isOutdated": {
+            "type": "boolean"
+        }
+    }
+}

package/schema/system/job_extended.json

@@ -0,0 +1,39 @@
+{
+    "$id": "system/job-extended",
+    "$schema": "http://json-schema.org/draft-04/schema#",
+    "title": "extended job schema",
+    "properties": {
+        "mode": {
+            "type": "string"
+        },
+        "isExternal": {
+            "type": "boolean"
+        },
+        "_materials": {
+            "type": "array",
+            "items": {
+                "allOf": [
+                    {
+                        "$ref": "entity_reference.json"
+                    }
+                ]
+            }
+        },
+        "_materialsSet": {
+            "allOf": [
+                {
+                    "$ref": "entity_reference.json"
+                }
+            ]
+        },
+        "purged": {
+            "type": "boolean"
+        },
+        "purgedAt": {
+            "type": "number"
+        },
+        "dataset": {
+            "type": "object"
+        }
+    }
+}

package/schema/system/message.json

@@ -0,0 +1,67 @@
+{
+    "$id": "system/message",
+    "$schema": "http://json-schema.org/draft-04/schema#",
+    "title": "message schema",
+    "description": "communication message between Rupy and web application.",
+    "properties": {
+        "header": {
+            "type": "object",
+            "properties": {
+                "entity": {
+                    "type": "object",
+                    "properties": {
+                        "_id": {
+                            "description": "job identifier",
+                            "type": "string"
+                        },
+                        "name": {
+                            "description": "entity name.",
+                            "type": "string",
+                            "enum": [
+                                "job",
+                                "unit"
+                            ]
+                        },
+                        "flowchartId": {
+                            "description": "unit identifier within the workflow",
+                            "type": "string"
+                        },
+                        "probe": {
+                            "description": "source of the message.",
+                            "type": "string",
+                            "enum": [
+                                "monitor",
+                                "postprocessor"
+                            ]
+                        }
+                    },
+                    "required": [
+                        "_id",
+                        "name"
+                    ]
+                },
+                "version": {
+                    "description": "Rupy-Webapp communication schema version.",
+                    "type": "string"
+                },
+                "timestamp": {
+                    "description": "Timestamp of the message.",
+                    "type": "number"
+                }
+            },
+            "required": [
+                "entity",
+                "version",
+                "timestamp"
+            ]
+        },
+        "payload": {
+            "description": "Actual payload of the message.",
+            "type": "object"
+        }
+    },
+    "required": [
+        "header",
+        "payload"
+    ]
+}

package/schema/system/metadata.json

@@ -0,0 +1,10 @@
+{
+    "$id": "system/metadata",
+    "$schema": "http://json-schema.org/draft-04/schema#",
+    "title": "metadata schema",
+    "properties": {
+        "metadata": {
+            "type": "object"
+        }
+    }
+}

package/schema/system/name.json

@@ -0,0 +1,11 @@
+{
+    "$id": "system/name",
+    "$schema": "http://json-schema.org/draft-04/schema#",
+    "title": "name entity schema",
+    "properties": {
+        "name": {
+            "description": "entity name",
+            "type": "string"
+        }
+    }
+}

package/schema/system/owner.json

@@ -0,0 +1,19 @@
+{
+    "$id": "system/owner",
+    "$schema": "http://json-schema.org/draft-04/schema#",
+    "title": "Entity owner reference schema",
+    "allOf": [
+        {
+            "$ref": "entity_reference.json"
+        }
+    ],
+    "properties": {
+        "cls": {
+            "description": "Entity owner class",
+            "type": "string",
+            "enum": [
+                "Account"
+            ]
+        }
+    }
+}

package/schema/system/path.json

@@ -0,0 +1,11 @@
+{
+    "$id": "system/path",
+    "$schema": "http://json-schema.org/draft-04/schema#",
+    "title": "path schema",
+    "type": "object",
+    "properties": {
+        "path": {
+            "$ref": "../core/reusable/category_path.json"
+        }
+    }
+}

package/schema/system/path_entity.json

@@ -0,0 +1,13 @@
+{
+    "$id": "system/path-entity",
+    "$schema": "http://json-schema.org/draft-04/schema#",
+    "title": "path entity schema",
+    "allOf": [
+        {
+            "$ref": "./name.json"
+        },
+        {
+            "$ref": "./path.json"
+        }
+    ]
+}

package/schema/system/schema_version.json

@@ -0,0 +1,12 @@
+{
+    "$id": "system/schema-version",
+    "$schema": "http://json-schema.org/draft-04/schema#",
+    "title": "schema version",
+    "properties": {
+        "schemaVersion": {
+            "description": "entity's schema version. Used to distinct between different schemas.",
+            "type": "string",
+            "default": "2022.8.16"
+        }
+    }
+}

package/schema/system/scope.json

@@ -0,0 +1,10 @@
+{
+    "$id": "system/scope",
+    "$schema": "http://json-schema.org/draft-04/schema#",
+    "title": "scope schema",
+    "properties": {
+        "scope": {
+            "type": "string"
+        }
+    }
+}

package/schema/system/set.json

@@ -0,0 +1,16 @@
+{
+    "$id": "system/set",
+    "$schema": "http://json-schema.org/draft-04/schema#",
+    "title": "Entity set schema",
+    "properties": {
+        "isEntitySet": {
+            "type": "boolean"
+        },
+        "entitySetType": {
+            "type": "string"
+        },
+        "entityCls": {
+            "type": "string"
+        }
+    }
+}

package/schema/system/sharing.json

@@ -0,0 +1,10 @@
+{
+    "$id": "system/sharing",
+    "$schema": "http://json-schema.org/draft-04/schema#",
+    "title": "extended sharing schema",
+    "properties": {
+        "sharedCount": {
+            "type": "number"
+        }
+    }
+}

package/schema/system/soft_removable.json

@@ -0,0 +1,15 @@
+{
+    "$id": "system/soft-removable",
+    "$schema": "http://json-schema.org/draft-04/schema#",
+    "title": "soft removable entity schema",
+    "properties": {
+        "removedAt": {
+            "description": "Timestamp of the moment when entity was removed",
+            "type": "string"
+        },
+        "removed": {
+            "description": "Identifies that entity was removed",
+            "type": "boolean"
+        }
+    }
+}

package/schema/system/status.json

@@ -0,0 +1,31 @@
+{
+    "$id": "system/status",
+    "$schema": "http://json-schema.org/draft-04/schema#",
+    "title": "status schema",
+    "properties": {
+        "status": {
+            "type": "string"
+        },
+        "statusTrack": {
+            "type": "array",
+            "items": {
+                "type": "object",
+                "properties": {
+                    "trackedAt": {
+                        "type": "number"
+                    },
+                    "status": {
+                        "type": "string"
+                    },
+                    "repetition": {
+                        "type": "number"
+                    }
+                },
+                "required": [
+                    "trackedAt",
+                    "status"
+                ]
+            }
+        }
+    }
+}

package/schema/system/tags.json

@@ -0,0 +1,14 @@
+{
+    "$id": "system/tags",
+    "$schema": "http://json-schema.org/draft-04/schema#",
+    "title": "entity tags schema",
+    "properties": {
+        "tags": {
+            "description": "entity tags",
+            "type": "array",
+            "items": {
+                "type": "string"
+            }
+        }
+    }
+}

package/schema/system/timestampable.json

@@ -0,0 +1,37 @@
+{
+    "$id": "system/timestampable",
+    "$schema": "http://json-schema.org/draft-04/schema#",
+    "title": "timestampable entity schema",
+    "properties": {
+        "createdAt": {
+            "description": "entity creation time",
+            "type": "string",
+            "format": "date-time"
+        },
+        "updatedAt": {
+            "description": "entity last modification time",
+            "type": "string",
+            "format": "date-time"
+        },
+        "createdBy": {
+            "oneOf": [
+                {
+                    "type": "string"
+                },
+                {
+                    "type": "number"
+                }
+            ]
+        },
+        "updatedBy": {
+            "oneOf": [
+                {
+                    "type": "string"
+                },
+                {
+                    "type": "number"
+                }
+            ]
+        }
+    }
+}

package/schema/system/use_values.json

@@ -0,0 +1,10 @@
+{
+    "$id": "system/use-values",
+    "$schema": "http://json-schema.org/draft-04/schema#",
+    "title": "use values schema",
+    "properties": {
+        "useValues": {
+            "type": "boolean"
+        }
+    }
+}

package/schema/workflow/base.json

@@ -0,0 +1,39 @@
+{
+    "$id": "workflow/base",
+    "$schema": "http://json-schema.org/draft-04/schema#",
+    "title": "base workflow schema",
+    "type": "object",
+    "allOf": [
+        {
+            "$ref": "../in_memory_entity/named_defaultable_has_metadata.json"
+        }
+    ],
+    "properties": {
+        "properties": {
+            "description": "Array of characteristic properties calculated by this workflow (TODO: add enums)",
+            "type": "array",
+            "items": {
+                "description": "property names, eg. `band_gaps`, `band_structure`",
+                "oneOf": [
+                    {
+                        "type": "string"
+                    },
+                    {
+                        "type": "object"
+                    }
+                ]
+            }
+        },
+        "isUsingDataset": {
+            "description": "Whether to use the dataset tab in the job designer. Mutually exclusive with using the materials tab.",
+            "type": "boolean"
+        },
+        "workflows": {
+            "description": "Array of workflows with the same schema as the current one.",
+            "type": "array",
+            "items": {
+                "type": "object"
+            }
+        }
+    }
+}

package/schema/workflow/base_flow.json

@@ -0,0 +1,39 @@
+{
+    "$id": "workflow/base-flow",
+    "$schema": "http://json-schema.org/draft-04/schema#",
+    "title": "BaseFlow",
+    "type": "object",
+    "properties": {
+        "_id": {
+            "description": "subworkflow identity",
+            "type": "string"
+        },
+        "name": {
+            "description": "Human-readable name of the subworkflow. e.g. Total-energy",
+            "type": "string"
+        },
+        "properties": {
+            "description": "Array of characteristic properties calculated by this subworkflow",
+            "type": "array",
+            "items": {
+                "description": "property names, eg. `band_gaps`, `band_structure`",
+                "oneOf": [
+                    {
+                        "type": "string"
+                    },
+                    {
+                        "type": "object"
+                    }
+                ]
+            }
+        },
+        "compute": {
+            "description": "compute parameters",
+            "$ref": "../job/compute.json"
+        }
+    },
+    "required": [
+        "name",
+        "units"
+    ]
+}

package/schema/workflow/scope.json

@@ -0,0 +1,20 @@
+{
+    "$id": "workflow/scope",
+    "$schema": "http://json-schema.org/draft-04/schema#",
+    "title": "workflow scope schema",
+    "type": "object",
+    "properties": {
+        "global": {
+            "type": "object",
+            "additionalProperties": true
+        },
+        "local": {
+            "type": "object",
+            "additionalProperties": true
+        }
+    },
+    "required": [
+        "global",
+        "local"
+    ]
+}