@mat3ra/esse 2024.3.20-0 → 2024.3.25-0

package/lib/js/schema/model/categorized_model.json

@@ -1,542 +0,0 @@
-{
-    "$id": "model/categorized-model",
-    "$schema": "http://json-schema.org/draft-07/schema#",
-    "title": "categorized model",
-    "type": "object",
-    "required": [
-        "categories",
-        "method",
-        "parameters"
-    ],
-    "properties": {
-        "method": {
-            "$schema": "http://json-schema.org/draft-07/schema#",
-            "title": "categorized method",
-            "type": "object",
-            "required": [
-                "units"
-            ],
-            "properties": {
-                "units": {
-                    "type": "array",
-                    "items": {
-                        "$schema": "http://json-schema.org/draft-07/schema#",
-                        "title": "categorized unit method",
-                        "type": "object",
-                        "properties": {
-                            "categories": {
-                                "$schema": "http://json-schema.org/draft-07/schema#",
-                                "title": "Reusable categories schema",
-                                "description": "Used to categorize entities such as models and methods",
-                                "type": "object",
-                                "properties": {
-                                    "tier1": {
-                                        "$schema": "http://json-schema.org/draft-07/schema#",
-                                        "title": "slugified entry or slug",
-                                        "description": "contains either object with slugified entry or slug only as a string",
-                                        "oneOf": [
-                                            {
-                                                "$schema": "http://json-schema.org/draft-07/schema#",
-                                                "title": "slugified entry",
-                                                "description": "container for machine- and human-readable identifier",
-                                                "type": "object",
-                                                "properties": {
-                                                    "name": {
-                                                        "description": "descriptive human-readable name of entry",
-                                                        "type": "string"
-                                                    },
-                                                    "slug": {
-                                                        "description": "machine-readable identifier",
-                                                        "type": "string"
-                                                    }
-                                                },
-                                                "required": [
-                                                    "name",
-                                                    "slug"
-                                                ]
-                                            },
-                                            {
-                                                "type": "string"
-                                            }
-                                        ]
-                                    },
-                                    "tier2": {
-                                        "$schema": "http://json-schema.org/draft-07/schema#",
-                                        "title": "slugified entry or slug",
-                                        "description": "contains either object with slugified entry or slug only as a string",
-                                        "oneOf": [
-                                            {
-                                                "$schema": "http://json-schema.org/draft-07/schema#",
-                                                "title": "slugified entry",
-                                                "description": "container for machine- and human-readable identifier",
-                                                "type": "object",
-                                                "properties": {
-                                                    "name": {
-                                                        "description": "descriptive human-readable name of entry",
-                                                        "type": "string"
-                                                    },
-                                                    "slug": {
-                                                        "description": "machine-readable identifier",
-                                                        "type": "string"
-                                                    }
-                                                },
-                                                "required": [
-                                                    "name",
-                                                    "slug"
-                                                ]
-                                            },
-                                            {
-                                                "type": "string"
-                                            }
-                                        ]
-                                    },
-                                    "tier3": {
-                                        "$schema": "http://json-schema.org/draft-07/schema#",
-                                        "title": "slugified entry or slug",
-                                        "description": "contains either object with slugified entry or slug only as a string",
-                                        "oneOf": [
-                                            {
-                                                "$schema": "http://json-schema.org/draft-07/schema#",
-                                                "title": "slugified entry",
-                                                "description": "container for machine- and human-readable identifier",
-                                                "type": "object",
-                                                "properties": {
-                                                    "name": {
-                                                        "description": "descriptive human-readable name of entry",
-                                                        "type": "string"
-                                                    },
-                                                    "slug": {
-                                                        "description": "machine-readable identifier",
-                                                        "type": "string"
-                                                    }
-                                                },
-                                                "required": [
-                                                    "name",
-                                                    "slug"
-                                                ]
-                                            },
-                                            {
-                                                "type": "string"
-                                            }
-                                        ]
-                                    },
-                                    "type": {
-                                        "$schema": "http://json-schema.org/draft-07/schema#",
-                                        "title": "slugified entry or slug",
-                                        "description": "contains either object with slugified entry or slug only as a string",
-                                        "oneOf": [
-                                            {
-                                                "$schema": "http://json-schema.org/draft-07/schema#",
-                                                "title": "slugified entry",
-                                                "description": "container for machine- and human-readable identifier",
-                                                "type": "object",
-                                                "properties": {
-                                                    "name": {
-                                                        "description": "descriptive human-readable name of entry",
-                                                        "type": "string"
-                                                    },
-                                                    "slug": {
-                                                        "description": "machine-readable identifier",
-                                                        "type": "string"
-                                                    }
-                                                },
-                                                "required": [
-                                                    "name",
-                                                    "slug"
-                                                ]
-                                            },
-                                            {
-                                                "type": "string"
-                                            }
-                                        ]
-                                    },
-                                    "subtype": {
-                                        "$schema": "http://json-schema.org/draft-07/schema#",
-                                        "title": "slugified entry or slug",
-                                        "description": "contains either object with slugified entry or slug only as a string",
-                                        "oneOf": [
-                                            {
-                                                "$schema": "http://json-schema.org/draft-07/schema#",
-                                                "title": "slugified entry",
-                                                "description": "container for machine- and human-readable identifier",
-                                                "type": "object",
-                                                "properties": {
-                                                    "name": {
-                                                        "description": "descriptive human-readable name of entry",
-                                                        "type": "string"
-                                                    },
-                                                    "slug": {
-                                                        "description": "machine-readable identifier",
-                                                        "type": "string"
-                                                    }
-                                                },
-                                                "required": [
-                                                    "name",
-                                                    "slug"
-                                                ]
-                                            },
-                                            {
-                                                "type": "string"
-                                            }
-                                        ]
-                                    }
-                                }
-                            },
-                            "parameters": {
-                                "description": "Instructive parameters defining the method",
-                                "type": "object"
-                            },
-                            "precision": {
-                                "description": "Object showing the actual possible precision based on theory and implementation",
-                                "type": "object"
-                            },
-                            "name": {
-                                "description": "entity name",
-                                "type": "string"
-                            },
-                            "path": {
-                                "$schema": "http://json-schema.org/draft-07/schema#",
-                                "title": "category path schema",
-                                "description": "TODO: Use regex once schema draft version has been updated",
-                                "type": "string"
-                            },
-                            "tags": {
-                                "description": "entity tags",
-                                "type": "array",
-                                "items": {
-                                    "type": "string"
-                                }
-                            }
-                        }
-                    }
-                },
-                "name": {
-                    "description": "entity name",
-                    "type": "string"
-                },
-                "path": {
-                    "$schema": "http://json-schema.org/draft-07/schema#",
-                    "title": "category path schema",
-                    "description": "TODO: Use regex once schema draft version has been updated",
-                    "type": "string"
-                },
-                "tags": {
-                    "description": "entity tags",
-                    "type": "array",
-                    "items": {
-                        "type": "string"
-                    }
-                }
-            }
-        },
-        "categories": {
-            "$schema": "http://json-schema.org/draft-07/schema#",
-            "title": "Reusable categories schema",
-            "description": "Used to categorize entities such as models and methods",
-            "type": "object",
-            "properties": {
-                "tier1": {
-                    "$schema": "http://json-schema.org/draft-07/schema#",
-                    "title": "slugified entry or slug",
-                    "description": "contains either object with slugified entry or slug only as a string",
-                    "oneOf": [
-                        {
-                            "$schema": "http://json-schema.org/draft-07/schema#",
-                            "title": "slugified entry",
-                            "description": "container for machine- and human-readable identifier",
-                            "type": "object",
-                            "properties": {
-                                "name": {
-                                    "description": "descriptive human-readable name of entry",
-                                    "type": "string"
-                                },
-                                "slug": {
-                                    "description": "machine-readable identifier",
-                                    "type": "string"
-                                }
-                            },
-                            "required": [
-                                "name",
-                                "slug"
-                            ]
-                        },
-                        {
-                            "type": "string"
-                        }
-                    ]
-                },
-                "tier2": {
-                    "$schema": "http://json-schema.org/draft-07/schema#",
-                    "title": "slugified entry or slug",
-                    "description": "contains either object with slugified entry or slug only as a string",
-                    "oneOf": [
-                        {
-                            "$schema": "http://json-schema.org/draft-07/schema#",
-                            "title": "slugified entry",
-                            "description": "container for machine- and human-readable identifier",
-                            "type": "object",
-                            "properties": {
-                                "name": {
-                                    "description": "descriptive human-readable name of entry",
-                                    "type": "string"
-                                },
-                                "slug": {
-                                    "description": "machine-readable identifier",
-                                    "type": "string"
-                                }
-                            },
-                            "required": [
-                                "name",
-                                "slug"
-                            ]
-                        },
-                        {
-                            "type": "string"
-                        }
-                    ]
-                },
-                "tier3": {
-                    "$schema": "http://json-schema.org/draft-07/schema#",
-                    "title": "slugified entry or slug",
-                    "description": "contains either object with slugified entry or slug only as a string",
-                    "oneOf": [
-                        {
-                            "$schema": "http://json-schema.org/draft-07/schema#",
-                            "title": "slugified entry",
-                            "description": "container for machine- and human-readable identifier",
-                            "type": "object",
-                            "properties": {
-                                "name": {
-                                    "description": "descriptive human-readable name of entry",
-                                    "type": "string"
-                                },
-                                "slug": {
-                                    "description": "machine-readable identifier",
-                                    "type": "string"
-                                }
-                            },
-                            "required": [
-                                "name",
-                                "slug"
-                            ]
-                        },
-                        {
-                            "type": "string"
-                        }
-                    ]
-                },
-                "type": {
-                    "$schema": "http://json-schema.org/draft-07/schema#",
-                    "title": "slugified entry or slug",
-                    "description": "contains either object with slugified entry or slug only as a string",
-                    "oneOf": [
-                        {
-                            "$schema": "http://json-schema.org/draft-07/schema#",
-                            "title": "slugified entry",
-                            "description": "container for machine- and human-readable identifier",
-                            "type": "object",
-                            "properties": {
-                                "name": {
-                                    "description": "descriptive human-readable name of entry",
-                                    "type": "string"
-                                },
-                                "slug": {
-                                    "description": "machine-readable identifier",
-                                    "type": "string"
-                                }
-                            },
-                            "required": [
-                                "name",
-                                "slug"
-                            ]
-                        },
-                        {
-                            "type": "string"
-                        }
-                    ]
-                },
-                "subtype": {
-                    "$schema": "http://json-schema.org/draft-07/schema#",
-                    "title": "slugified entry or slug",
-                    "description": "contains either object with slugified entry or slug only as a string",
-                    "oneOf": [
-                        {
-                            "$schema": "http://json-schema.org/draft-07/schema#",
-                            "title": "slugified entry",
-                            "description": "container for machine- and human-readable identifier",
-                            "type": "object",
-                            "properties": {
-                                "name": {
-                                    "description": "descriptive human-readable name of entry",
-                                    "type": "string"
-                                },
-                                "slug": {
-                                    "description": "machine-readable identifier",
-                                    "type": "string"
-                                }
-                            },
-                            "required": [
-                                "name",
-                                "slug"
-                            ]
-                        },
-                        {
-                            "type": "string"
-                        }
-                    ]
-                }
-            }
-        },
-        "parameters": {
-            "type": "object",
-            "description": "Model parameters defined in-place or via model mixins"
-        },
-        "reference": {
-            "$schema": "http://json-schema.org/draft-07/schema#",
-            "title": "literature reference schema",
-            "type": "object",
-            "properties": {
-                "type": {
-                    "enum": [
-                        "literature"
-                    ]
-                },
-                "doi": {
-                    "type": "string",
-                    "description": "Digital Object Identifier of the reference."
-                },
-                "isbn": {
-                    "type": "string",
-                    "description": "International Standard Book Number of the reference."
-                },
-                "issn": {
-                    "type": "string",
-                    "description": "International Standard Serial Number of the reference."
-                },
-                "url": {
-                    "type": "string",
-                    "description": "Internet address of the reference."
-                },
-                "title": {
-                    "type": "string",
-                    "description": "Title of the work."
-                },
-                "publisher": {
-                    "type": "string",
-                    "description": "Publisher of the work."
-                },
-                "journal": {
-                    "type": "string",
-                    "description": "Journal in which the work appeared."
-                },
-                "volume": {
-                    "type": "string",
-                    "description": "Volume of the series in which the work appeared."
-                },
-                "year": {
-                    "type": "string",
-                    "description": "Year in which the reference was published."
-                },
-                "issue": {
-                    "type": "string",
-                    "description": "Issue of the collection in which the work appeared."
-                },
-                "pages": {
-                    "type": "object",
-                    "description": "Start and end pages of the work.",
-                    "$schema": "http://json-schema.org/draft-07/schema#",
-                    "title": "pages schema",
-                    "required": [
-                        "start"
-                    ],
-                    "properties": {
-                        "start": {
-                            "type": "string"
-                        },
-                        "end": {
-                            "type": "string"
-                        }
-                    }
-                },
-                "authors": {
-                    "type": "array",
-                    "description": "List of authors of the work.",
-                    "items": {
-                        "$schema": "http://json-schema.org/draft-07/schema#",
-                        "title": "experiment author schema",
-                        "type": "object",
-                        "required": [
-                            "first",
-                            "last"
-                        ],
-                        "properties": {
-                            "first": {
-                                "type": "string"
-                            },
-                            "middle": {
-                                "type": "string"
-                            },
-                            "last": {
-                                "type": "string"
-                            },
-                            "affiliation": {
-                                "type": "string"
-                            }
-                        }
-                    }
-                },
-                "editors": {
-                    "type": "array",
-                    "description": "List of editors of the work.",
-                    "items": {
-                        "$schema": "http://json-schema.org/draft-07/schema#",
-                        "title": "experiment author schema",
-                        "type": "object",
-                        "required": [
-                            "first",
-                            "last"
-                        ],
-                        "properties": {
-                            "first": {
-                                "type": "string"
-                            },
-                            "middle": {
-                                "type": "string"
-                            },
-                            "last": {
-                                "type": "string"
-                            },
-                            "affiliation": {
-                                "type": "string"
-                            }
-                        }
-                    }
-                },
-                "reference": {
-                    "type": "array",
-                    "description": "References cited by the work. Reference objects can nest as deeply as needed. This is useful, for example, when tracking the history of a value referenced in a scholarly article; the top level reference would contain information about where the data was accessed while the nested reference would contain information about where it was originally published.",
-                    "items": {
-                        "type": "object"
-                    }
-                }
-            }
-        },
-        "name": {
-            "description": "entity name",
-            "type": "string"
-        },
-        "path": {
-            "$schema": "http://json-schema.org/draft-07/schema#",
-            "title": "category path schema",
-            "description": "TODO: Use regex once schema draft version has been updated",
-            "type": "string"
-        },
-        "tags": {
-            "description": "entity tags",
-            "type": "array",
-            "items": {
-                "type": "string"
-            }
-        }
-    }
-}

package/lib/js/schema/model/mixins/dft/double_hybrid_functional.json

@@ -1,13 +0,0 @@
-{
-    "$id": "model/mixins/dft/double-hybrid-functional",
-    "$schema": "http://json-schema.org/draft-07/schema#",
-    "title": "Double hybrid functional mixin",
-    "type": "object",
-    "properties": {
-        "functional": {
-            "enum": [
-                "b2plyp"
-            ]
-        }
-    }
-}

package/lib/js/schema/model/mixins/dft/enum_options.json

@@ -1,30 +0,0 @@
-{
-    "$id": "model/mixins/dft/enum-options",
-    "lda": {
-        "enum": [
-            "pz"
-        ]
-    },
-    "gga": {
-        "enum": [
-            "pbe",
-            "pbesol"
-        ]
-    },
-    "mgga": {
-        "enum": [
-            "scan"
-        ]
-    },
-    "hybrid": {
-        "enum": [
-            "hse06",
-            "b3lyp"
-        ]
-    },
-    "doubleHybrid": {
-        "enum": [
-            "b2plyp"
-        ]
-    }
-}

package/lib/js/schema/model/mixins/dft/gga_functional.json

@@ -1,15 +0,0 @@
-{
-    "$id": "model/mixins/dft/gga-functional",
-    "$schema": "http://json-schema.org/draft-07/schema#",
-    "title": "GGA functional mixin",
-    "type": "object",
-    "additionalProperties": true,
-    "properties": {
-        "functional": {
-            "enum": [
-                "pbe",
-                "pbesol"
-            ]
-        }
-    }
-}

package/lib/js/schema/model/mixins/dft/hybrid_functional.json

@@ -1,14 +0,0 @@
-{
-    "$id": "model/mixins/dft/hybrid-functional",
-    "$schema": "http://json-schema.org/draft-07/schema#",
-    "title": "Hybrid functional mixin",
-    "type": "object",
-    "properties": {
-        "functional": {
-            "enum": [
-                "hse06",
-                "b3lyp"
-            ]
-        }
-    }
-}

package/lib/js/schema/model/mixins/dft/lda_functional.json

@@ -1,14 +0,0 @@
-{
-    "$id": "model/mixins/dft/lda-functional",
-    "$schema": "http://json-schema.org/draft-07/schema#",
-    "title": "LDA functional mixin",
-    "type": "object",
-    "additionalProperties": true,
-    "properties": {
-        "functional": {
-            "enum": [
-                "pz"
-            ]
-        }
-    }
-}

package/lib/js/schema/model/mixins/dft/mgga_functional.json

@@ -1,14 +0,0 @@
-{
-    "$id": "model/mixins/dft/mgga-functional",
-    "$schema": "http://json-schema.org/draft-07/schema#",
-    "title": "Meta-GGA functional mixin",
-    "type": "object",
-    "additionalProperties": true,
-    "properties": {
-        "functional": {
-            "enum": [
-                "scan"
-            ]
-        }
-    }
-}

package/lib/js/schema/model/mixins/dispersion_correction.json

@@ -1,16 +0,0 @@
-{
-    "$id": "model/mixins/dispersion-correction",
-    "$schema": "http://json-schema.org/draft-07/schema#",
-    "title": "Dispersion correction mixin",
-    "type": "object",
-    "properties": {
-        "dispersionCorrection": {
-            "enum": [
-                "dft-d2",
-                "dft-d3",
-                "xdm",
-                "ts"
-            ]
-        }
-    }
-}