@mat3ra/esse 2026.5.18-2 → 2026.5.27-0

package/dist/js/schema/workflow/unit/map.json

@@ -6,102 +6,19 @@
     "required": [
         "flowchartId",
         "input",
+        "monitors",
+        "name",
+        "postProcessors",
+        "preProcessors",
+        "results",
         "type",
         "workflowId"
     ],
-    "additionalProperties": true,
     "properties": {
-        "type": {
-            "const": "map",
-            "description": "type of the unit",
-            "type": "string"
-        },
-        "workflowId": {
-            "description": "Id of workflow to run inside map",
-            "type": "string"
-        },
-        "input": {
-            "description": "Input information for map.",
-            "type": "object",
-            "required": [
-                "target"
-            ],
-            "properties": {
-                "target": {
-                    "description": "Name of the target variable to substitute using the values below. e.g. K_POINTS",
-                    "type": "string"
-                },
-                "scope": {
-                    "description": "Scope to retrieve `values` from, global or flowchartId. Optional if `values` is given.",
-                    "type": "string"
-                },
-                "name": {
-                    "description": "Name of the variable inside the scope to retrieve `values` from. Optional if `values` is given.",
-                    "type": "string"
-                },
-                "values": {
-                    "description": "Sequence of values for the target Jinja variable. Optional if `scope` and `name` are given. This can be used for map-reduce type parallel execution",
-                    "type": "array",
-                    "items": {
-                        "oneOf": [
-                            {
-                                "type": "string"
-                            },
-                            {
-                                "type": "number"
-                            },
-                            {
-                                "type": "object"
-                            }
-                        ]
-                    }
-                },
-                "useValues": {
-                    "type": "boolean"
-                }
-            }
-        },
         "_id": {
-            "type": "string",
-            "description": "entity identity"
-        },
-        "isDraft": {
-            "type": "boolean"
-        },
-        "name": {
-            "description": "name of the unit. e.g. pw_scf",
-            "type": "string"
-        },
-        "status": {
-            "description": "Status of the unit.",
-            "type": "string",
-            "enum": [
-                "idle",
-                "active",
-                "warning",
-                "error",
-                "finished"
-            ]
-        },
-        "head": {
-            "description": "Whether this unit is the first one to be executed.",
-            "type": "boolean"
-        },
-        "flowchartId": {
-            "description": "Identity of the unit in the workflow. Used to trace the execution flow of the workflow.",
-            "type": "string"
-        },
-        "next": {
-            "description": "Next unit's flowchartId. If empty, the current unit is the last.",
+            "description": "entity identity",
             "type": "string"
         },
-        "enableRender": {
-            "description": "Whether Rupy should attempt to use Jinja templating to add context variables into the unit",
-            "type": "boolean"
-        },
-        "context": {
-            "type": "object"
-        },
         "slug": {
             "description": "entity slug",
             "type": "string"
@@ -114,6 +31,10 @@
             "type": "string",
             "default": "2022.8.16"
         },
+        "name": {
+            "description": "entity name",
+            "type": "string"
+        },
         "isDefault": {
             "description": "Identifies that entity is defaultable",
             "type": "boolean",
@@ -124,30 +45,19 @@
             "type": "array",
             "items": {
                 "$schema": "http://json-schema.org/draft-07/schema#",
-                "title": "runtime item schema",
-                "oneOf": [
-                    {
-                        "$schema": "http://json-schema.org/draft-07/schema#",
-                        "title": "name result schema",
-                        "type": "object",
-                        "properties": {
-                            "name": {
-                                "description": "The name of this item. e.g. scf_accuracy",
-                                "type": "string"
-                            }
-                        },
-                        "additionalProperties": true,
-                        "required": [
-                            "name"
-                        ]
-                    },
-                    {
-                        "$schema": "http://json-schema.org/draft-07/schema#",
-                        "title": "RuntimeItemString",
-                        "description": "name of runtime item in shortened notation",
+                "title": "runtime item name object schema",
+                "description": "A runtime item is a name of a pre-processor, post-processor, monitor, or result for a calculation. Can contain additional properties basename, filetype etc.",
+                "type": "object",
+                "required": [
+                    "name"
+                ],
+                "additionalProperties": true,
+                "properties": {
+                    "name": {
+                        "description": "The name of this item. e.g. scf_accuracy",
                         "type": "string"
                     }
-                ]
+                }
             }
         },
         "postProcessors": {
@@ -155,30 +65,19 @@
             "type": "array",
             "items": {
                 "$schema": "http://json-schema.org/draft-07/schema#",
-                "title": "runtime item schema",
-                "oneOf": [
-                    {
-                        "$schema": "http://json-schema.org/draft-07/schema#",
-                        "title": "name result schema",
-                        "type": "object",
-                        "properties": {
-                            "name": {
-                                "description": "The name of this item. e.g. scf_accuracy",
-                                "type": "string"
-                            }
-                        },
-                        "additionalProperties": true,
-                        "required": [
-                            "name"
-                        ]
-                    },
-                    {
-                        "$schema": "http://json-schema.org/draft-07/schema#",
-                        "title": "RuntimeItemString",
-                        "description": "name of runtime item in shortened notation",
+                "title": "runtime item name object schema",
+                "description": "A runtime item is a name of a pre-processor, post-processor, monitor, or result for a calculation. Can contain additional properties basename, filetype etc.",
+                "type": "object",
+                "required": [
+                    "name"
+                ],
+                "additionalProperties": true,
+                "properties": {
+                    "name": {
+                        "description": "The name of this item. e.g. scf_accuracy",
                         "type": "string"
                     }
-                ]
+                }
             }
         },
         "monitors": {
@@ -186,30 +85,19 @@
             "type": "array",
             "items": {
                 "$schema": "http://json-schema.org/draft-07/schema#",
-                "title": "runtime item schema",
-                "oneOf": [
-                    {
-                        "$schema": "http://json-schema.org/draft-07/schema#",
-                        "title": "name result schema",
-                        "type": "object",
-                        "properties": {
-                            "name": {
-                                "description": "The name of this item. e.g. scf_accuracy",
-                                "type": "string"
-                            }
-                        },
-                        "additionalProperties": true,
-                        "required": [
-                            "name"
-                        ]
-                    },
-                    {
-                        "$schema": "http://json-schema.org/draft-07/schema#",
-                        "title": "RuntimeItemString",
-                        "description": "name of runtime item in shortened notation",
+                "title": "runtime item name object schema",
+                "description": "A runtime item is a name of a pre-processor, post-processor, monitor, or result for a calculation. Can contain additional properties basename, filetype etc.",
+                "type": "object",
+                "required": [
+                    "name"
+                ],
+                "additionalProperties": true,
+                "properties": {
+                    "name": {
+                        "description": "The name of this item. e.g. scf_accuracy",
                         "type": "string"
                     }
-                ]
+                }
             }
         },
         "results": {
@@ -217,30 +105,19 @@
             "type": "array",
             "items": {
                 "$schema": "http://json-schema.org/draft-07/schema#",
-                "title": "runtime item schema",
-                "oneOf": [
-                    {
-                        "$schema": "http://json-schema.org/draft-07/schema#",
-                        "title": "name result schema",
-                        "type": "object",
-                        "properties": {
-                            "name": {
-                                "description": "The name of this item. e.g. scf_accuracy",
-                                "type": "string"
-                            }
-                        },
-                        "additionalProperties": true,
-                        "required": [
-                            "name"
-                        ]
-                    },
-                    {
-                        "$schema": "http://json-schema.org/draft-07/schema#",
-                        "title": "RuntimeItemString",
-                        "description": "name of runtime item in shortened notation",
+                "title": "runtime item name object schema",
+                "description": "A runtime item is a name of a pre-processor, post-processor, monitor, or result for a calculation. Can contain additional properties basename, filetype etc.",
+                "type": "object",
+                "required": [
+                    "name"
+                ],
+                "additionalProperties": true,
+                "properties": {
+                    "name": {
+                        "description": "The name of this item. e.g. scf_accuracy",
                         "type": "string"
                     }
-                ]
+                }
             }
         },
         "tags": {
@@ -250,6 +127,17 @@
                 "type": "string"
             }
         },
+        "status": {
+            "type": "string",
+            "description": "Status of the unit.",
+            "enum": [
+                "idle",
+                "active",
+                "warning",
+                "error",
+                "finished"
+            ]
+        },
         "statusTrack": {
             "type": "array",
             "items": {
@@ -270,6 +158,75 @@
                     }
                 }
             }
+        },
+        "isDraft": {
+            "type": "boolean"
+        },
+        "type": {
+            "description": "type of the unit",
+            "type": "string",
+            "const": "map"
+        },
+        "head": {
+            "description": "Whether this unit is the first one to be executed.",
+            "type": "boolean"
+        },
+        "flowchartId": {
+            "description": "Identity of the unit in the workflow. Used to trace the execution flow of the workflow.",
+            "type": "string"
+        },
+        "next": {
+            "description": "Next unit's flowchartId. If empty, the current unit is the last.",
+            "type": "string"
+        },
+        "enableRender": {
+            "description": "Whether Rupy should attempt to use Jinja templating to add context variables into the unit",
+            "type": "boolean"
+        },
+        "workflowId": {
+            "description": "Id of workflow to run inside map",
+            "type": "string"
+        },
+        "input": {
+            "description": "Input information for map.",
+            "type": "object",
+            "required": [
+                "target"
+            ],
+            "properties": {
+                "target": {
+                    "description": "Name of the target variable to substitute using the values below. e.g. K_POINTS",
+                    "type": "string"
+                },
+                "scope": {
+                    "description": "Scope to retrieve `values` from, global or flowchartId. Optional if `values` is given.",
+                    "type": "string"
+                },
+                "name": {
+                    "description": "Name of the variable inside the scope to retrieve `values` from. Optional if `values` is given.",
+                    "type": "string"
+                },
+                "values": {
+                    "description": "Sequence of values for the target Jinja variable. Optional if `scope` and `name` are given. This can be used for map-reduce type parallel execution",
+                    "type": "array",
+                    "items": {
+                        "oneOf": [
+                            {
+                                "type": "string"
+                            },
+                            {
+                                "type": "number"
+                            },
+                            {
+                                "type": "object"
+                            }
+                        ]
+                    }
+                },
+                "useValues": {
+                    "type": "boolean"
+                }
+            }
         }
     }
 }

package/dist/js/schema/workflow/unit/mixins/assertion.json

@@ -0,0 +1,23 @@
+{
+    "$id": "workflow/unit/mixins/assertion",
+    "$schema": "http://json-schema.org/draft-07/schema#",
+    "title": "assertion unit mixin schema",
+    "type": "object",
+    "required": [
+        "name",
+        "statement"
+    ],
+    "properties": {
+        "type": {
+            "const": "assertion"
+        },
+        "statement": {
+            "type": "string",
+            "description": "The statement to be evaluated"
+        },
+        "errorMessage": {
+            "type": "string",
+            "description": "The error message to be displayed if the assertion fails"
+        }
+    }
+}

package/dist/js/schema/workflow/unit/mixins/assignment.json

@@ -0,0 +1,57 @@
+{
+    "$id": "workflow/unit/mixins/assignment",
+    "$schema": "http://json-schema.org/draft-07/schema#",
+    "title": "assignment unit mixin schema",
+    "type": "object",
+    "required": [
+        "name",
+        "operand",
+        "value"
+    ],
+    "properties": {
+        "type": {
+            "const": "assignment"
+        },
+        "input": {
+            "description": "Input information for assignment. if omitted, means that it is an initialization unit, otherwise it is an assignment.",
+            "type": "array",
+            "items": {
+                "$schema": "http://json-schema.org/draft-07/schema#",
+                "title": "workflow unit input schema",
+                "type": "object",
+                "required": [
+                    "scope",
+                    "name"
+                ],
+                "properties": {
+                    "scope": {
+                        "description": "Scope of the variable. e.g. 'global' or 'flowchart_id_2'",
+                        "type": "string"
+                    },
+                    "name": {
+                        "description": "Name of the input data. e.g. total_energy",
+                        "type": "string"
+                    }
+                }
+            }
+        },
+        "operand": {
+            "description": "Name of the global variable. e.g. 'x'",
+            "type": "string"
+        },
+        "value": {
+            "description": "Value of the variable. The value content could be a simple integer, string or a python expression. e.g. '0' (initialization), 'sin(x)+1' (expression)",
+            "oneOf": [
+                {
+                    "type": "string"
+                },
+                {
+                    "type": "boolean"
+                },
+                {
+                    "type": "number"
+                }
+            ]
+        }
+    }
+}

package/dist/js/schema/workflow/unit/mixins/base.json

@@ -0,0 +1,50 @@
+{
+    "$id": "workflow/unit/mixins/base",
+    "$schema": "http://json-schema.org/draft-07/schema#",
+    "title": "workflow base unit mixin schema",
+    "type": "object",
+    "required": [
+        "type",
+        "flowchartId"
+    ],
+    "properties": {
+        "isDraft": {
+            "type": "boolean"
+        },
+        "type": {
+            "description": "type of the unit",
+            "type": "string"
+        },
+        "name": {
+            "description": "name of the unit. e.g. pw_scf",
+            "type": "string"
+        },
+        "status": {
+            "description": "Status of the unit.",
+            "type": "string",
+            "enum": [
+                "idle",
+                "active",
+                "warning",
+                "error",
+                "finished"
+            ]
+        },
+        "head": {
+            "description": "Whether this unit is the first one to be executed.",
+            "type": "boolean"
+        },
+        "flowchartId": {
+            "description": "Identity of the unit in the workflow. Used to trace the execution flow of the workflow.",
+            "type": "string"
+        },
+        "next": {
+            "description": "Next unit's flowchartId. If empty, the current unit is the last.",
+            "type": "string"
+        },
+        "enableRender": {
+            "description": "Whether Rupy should attempt to use Jinja templating to add context variables into the unit",
+            "type": "boolean"
+        }
+    }
+}

package/dist/js/schema/workflow/unit/mixins/condition.json

@@ -0,0 +1,61 @@
+{
+    "$id": "workflow/unit/mixins/condition",
+    "$schema": "http://json-schema.org/draft-07/schema#",
+    "title": "condition unit mixin schema",
+    "type": "object",
+    "required": [
+        "input",
+        "statement",
+        "then",
+        "else",
+        "maxOccurrences"
+    ],
+    "properties": {
+        "type": {
+            "const": "condition"
+        },
+        "input": {
+            "description": "Input information for condition.",
+            "type": "array",
+            "items": {
+                "$schema": "http://json-schema.org/draft-07/schema#",
+                "title": "workflow unit input schema",
+                "type": "object",
+                "required": [
+                    "scope",
+                    "name"
+                ],
+                "properties": {
+                    "scope": {
+                        "description": "Scope of the variable. e.g. 'global' or 'flowchart_id_2'",
+                        "type": "string"
+                    },
+                    "name": {
+                        "description": "Name of the input data. e.g. total_energy",
+                        "type": "string"
+                    }
+                }
+            }
+        },
+        "statement": {
+            "description": "Condition statement. e.g. 'abs(x-total_energy) < 1e-5'",
+            "type": "string"
+        },
+        "then": {
+            "description": "Flowchart ID reference for `then` part of the condition.",
+            "type": "string"
+        },
+        "else": {
+            "description": "Flowchart ID reference for `else` part of the condition.",
+            "type": "string"
+        },
+        "maxOccurrences": {
+            "description": "Maximum occurrence of the condition, usable for loops.",
+            "type": "integer"
+        },
+        "throwException": {
+            "description": "Throw exception on reaching to maximum occurence.",
+            "type": "boolean"
+        }
+    }
+}