@mat3ra/esse 2026.7.21-0 → 2026.8.13-0
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/.cursor/rules/resolve-generated-merge-conflicts.mdc +36 -0
- package/dist/js/esse/JSONSchemasInterface.d.ts +4 -0
- package/dist/js/esse/JSONSchemasInterface.js +10 -0
- package/dist/js/schema/job.json +147 -176
- package/dist/js/schema/material/material_properties.json +0 -4
- package/dist/js/schema/material.json +0 -4
- package/dist/js/schema/material_enhanced.json +889 -0
- package/dist/js/schema/material_enhanced_hashed.json +898 -0
- package/dist/js/schema/material_hashed.json +858 -0
- package/dist/js/schema/materials_category/compound_pristine_structures/two_dimensional/interface/configuration.json +0 -36
- package/dist/js/schema/materials_category/defective_structures/one_dimensional/grain_boundary_linear/configuration.json +0 -36
- package/dist/js/schema/materials_category/defective_structures/three_dimensional/solid_solution/configuration.json +0 -12
- package/dist/js/schema/materials_category/defective_structures/two_dimensional/adatom/configuration.json +0 -16
- package/dist/js/schema/materials_category/defective_structures/two_dimensional/grain_boundary_planar/configuration.json +0 -36
- package/dist/js/schema/materials_category/defective_structures/two_dimensional/island/configuration.json +0 -24
- package/dist/js/schema/materials_category/defective_structures/two_dimensional/terrace/configuration.json +0 -24
- package/dist/js/schema/materials_category/defective_structures/zero_dimensional/point_defect/base_configuration.json +0 -4
- package/dist/js/schema/materials_category/defective_structures/zero_dimensional/point_defect/interstitial.json +0 -8
- package/dist/js/schema/materials_category/defective_structures/zero_dimensional/point_defect/substitutional.json +0 -8
- package/dist/js/schema/materials_category/defective_structures/zero_dimensional/point_defect/vacancy.json +0 -4
- package/dist/js/schema/materials_category/pristine_structures/three_dimensional/ideal_crystal.json +0 -4
- package/dist/js/schema/materials_category/pristine_structures/two_dimensional/nanoribbon.json +0 -12
- package/dist/js/schema/materials_category/pristine_structures/two_dimensional/nanotape.json +0 -8
- package/dist/js/schema/materials_category/pristine_structures/two_dimensional/slab.json +0 -8
- package/dist/js/schema/materials_category/pristine_structures/two_dimensional/slab_strained_supercell.json +0 -8
- package/dist/js/schema/materials_category/processed_structures/two_dimensional/passivation/configuration.json +0 -8
- package/dist/js/schema/materials_category_components/entities/auxiliary/zero_dimensional/crystal_site.json +0 -4
- package/dist/js/schema/materials_category_components/entities/auxiliary/zero_dimensional/point_defect_site.json +0 -4
- package/dist/js/schema/materials_category_components/entities/auxiliary/zero_dimensional/void_region.json +0 -4
- package/dist/js/schema/materials_category_components/entities/core/three_dimensional/crystal.json +0 -4
- package/dist/js/schema/materials_category_components/entities/core/two_dimensional/vacuum.json +0 -4
- package/dist/js/schema/materials_category_components/entities/reusable/one_dimensional/crystal_lattice_lines.json +0 -4
- package/dist/js/schema/materials_category_components/entities/reusable/one_dimensional/crystal_lattice_lines_unique_repeated.json +0 -4
- package/dist/js/schema/materials_category_components/entities/reusable/three_dimensional/crystal_lattice_base.json +0 -4
- package/dist/js/schema/materials_category_components/entities/reusable/three_dimensional/strained_non_uniform.json +0 -4
- package/dist/js/schema/materials_category_components/entities/reusable/three_dimensional/strained_uniform.json +0 -4
- package/dist/js/schema/materials_category_components/entities/reusable/three_dimensional/supercell.json +0 -4
- package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/atomic_layers.json +0 -4
- package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/atomic_layers_unique.json +0 -4
- package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/atomic_layers_unique_repeated.json +0 -4
- package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/crystal_lattice_planes.json +0 -4
- package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/slab_stack_configuration.json +0 -12
- package/dist/js/schema/materials_category_components/operations/core/modifications/perturb.json +0 -4
- package/dist/js/schema/properties_directory/non_scalar/workflow.json +147 -176
- package/dist/js/schema/properties_directory/structural/basis_constrained.json +292 -0
- package/dist/js/schema/property/holder.json +147 -176
- package/dist/js/schema/software_directory/modeling/unit/execution.json +14 -16
- package/dist/js/schema/software_directory/scripting/unit/execution.json +14 -16
- package/dist/js/schema/system/bankable.json +1 -6
- package/dist/js/schema/system/hashed.json +15 -0
- package/dist/js/schema/system/status_track.json +29 -0
- package/dist/js/schema/workflow/base.json +147 -176
- package/dist/js/schema/workflow/subworkflow/mixin.json +88 -105
- package/dist/js/schema/workflow/subworkflow/unit.json +88 -105
- package/dist/js/schema/workflow/subworkflow.json +88 -105
- package/dist/js/schema/workflow/unit/assertion.json +15 -18
- package/dist/js/schema/workflow/unit/assignment.json +14 -17
- package/dist/js/schema/workflow/unit/base.json +12 -17
- package/dist/js/schema/workflow/unit/condition.json +15 -18
- package/dist/js/schema/workflow/unit/error.json +15 -18
- package/dist/js/schema/workflow/unit/execution.json +14 -16
- package/dist/js/schema/workflow/unit/io.json +15 -18
- package/dist/js/schema/workflow/unit/map.json +14 -17
- package/dist/js/schema/workflow/unit/mixins/base.json +11 -20
- package/dist/js/schema/workflow/unit/reduce.json +15 -18
- package/dist/js/schema/workflow/unit/subworkflow.json +15 -18
- package/dist/js/schema/workflow/unit.json +59 -71
- package/dist/js/schema/workflow.json +147 -176
- package/dist/js/schemas.json +1 -1
- package/dist/js/types.d.ts +1592 -1246
- package/dist/js/utils/ajv.d.ts +6 -5
- package/dist/js/utils/ajv.js +22 -9
- package/dist/js/utils/ajvKeywords/jsonSchemaToTypescriptKeywords.d.ts +7 -0
- package/dist/js/utils/ajvKeywords/jsonSchemaToTypescriptKeywords.js +21 -0
- package/dist/js/utils/removeEmptyAndNullProperties.d.ts +9 -0
- package/dist/js/utils/removeEmptyAndNullProperties.js +29 -0
- package/package.json +1 -1
- package/schema/material/material_properties.json +0 -4
- package/schema/material_enhanced.json +18 -0
- package/schema/material_enhanced_hashed.json +14 -0
- package/schema/material_hashed.json +22 -0
- package/schema/properties_directory/structural/basis_constrained.json +19 -0
- package/schema/system/bankable.json +1 -6
- package/schema/system/hashed.json +15 -0
- package/schema/system/status.json +5 -21
- package/schema/system/status_track.json +29 -0
- package/schema/workflow/unit/base.json +1 -1
- package/schema/workflow/unit/mixins/base.json +11 -20
- package/src/js/esse/JSONSchemasInterface.ts +11 -0
- package/src/js/utils/ajv.ts +22 -9
- package/src/js/utils/ajvKeywords/jsonSchemaToTypescriptKeywords.ts +22 -0
- package/src/js/utils/removeEmptyAndNullProperties.ts +32 -0
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@@ -0,0 +1,36 @@
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---
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description: Resolve ESSE merge conflicts by merging source schemas and regenerating derived artifacts
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globs: "{schema,example,manifest,dist/js,src/py}/**/*"
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alwaysApply: false
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---
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# ESSE generated merge conflicts
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Treat `schema/**`, `example/**`, and `manifest/**` as sources of truth. These outputs are generated:
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- `dist/js/**`
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- `src/py/mat3ra/esse/data/**`
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- `src/py/mat3ra/esse/models/**` (`dist/py` points here)
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When merging:
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1. Merge source schemas, examples, and manifests first, preserving intentional changes from both branches.
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2. Do not hand-merge generated Python enum suffixes such as `Name631`, `Units284`, or `Value137`; their numbering is unstable and regeneration determines it.
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3. Resolve generated files temporarily if Git requires it, then regenerate all derived artifacts from the merged sources:
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```bash
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npm run transpile-and-build-assets
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pre-commit run generate-python-modules --all-files
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```
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The Python hook only runs when a staged path contains `schema`, so stage the resolved source schema changes before invoking it. Its canonical command and pinned generator options live in `.pre-commit-config.yaml`.
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After generation, stage the generated outputs and verify:
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```bash
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git diff --name-only --diff-filter=U
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rg -n '^(<<<<<<<|=======|>>>>>>>)' .
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git diff --check
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```
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Do not blindly choose `ours` or `theirs` for generated files when source schemas differ. A side may contain real additions (for example, a new property) while the other contains unrelated schema fixes; the regenerated result must include both.
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static setSchemas(schema: JSONSchema[]): void;
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static addSchema(schema: JSONSchema): void;
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static getSchemaById(schemaId: string): import("json-schema").JSONSchema7 | undefined;
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/**
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* Like {@link getSchemaById}, but throws if the schema is not registered.
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*/
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static getRequiredSchemaById(schemaId: string): JSONSchema;
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/**
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/**
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*/
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static getRequiredSchemaById(schemaId) {
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const schema = this.getSchemaById(schemaId);
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throw new Error(`ESSE schema not found: ${schemaId}`);
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}
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return schema;
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}
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|
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|
"statement": {
|
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|
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|
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|
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|
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|
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|
|
@@ -1376,6 +1351,20 @@
|
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"description": "Whether Rupy should attempt to use Jinja templating to add context variables into the unit",
|
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|
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|
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|
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|
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@@ -3356,7 +3345,6 @@
|
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@@ -3472,17 +3460,6 @@
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@@ -3507,11 +3484,6 @@
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|
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|
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|
"head": {
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|
"description": "Whether this unit is the first one to be executed.",
|
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|
"type": "boolean"
|
|
@@ -3528,9 +3500,23 @@
|
|
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|
"description": "Whether Rupy should attempt to use Jinja templating to add context variables into the unit",
|
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|
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|
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},
|
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"status": {
|
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|
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|
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|
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"enum": [
|
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|
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|
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|
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|
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|
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},
|
|
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|
"input": {
|
|
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|
"description": "Input information for assignment. if omitted, means that it is an initialization unit, otherwise it is an assignment.",
|
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|
"type": "array",
|
|
@@ -3585,8 +3571,7 @@
|
|
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|
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|
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|
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|
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|
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|
@@ -3701,17 +3686,6 @@
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|
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|
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|
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|
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|
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"description": "Status of the unit.",
|
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|
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|
|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
@@ -3736,11 +3710,6 @@
|
|
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|
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|
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|
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|
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|
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|
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"type": {
|
|
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|
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"description": "type of the unit",
|
|
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|
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|
|
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|
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"const": "error"
|
|
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|
-
},
|
|
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|
"head": {
|
|
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|
"description": "Whether this unit is the first one to be executed.",
|
|
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|
"type": "boolean"
|
|
@@ -3757,6 +3726,20 @@
|
|
|
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|
"description": "Whether Rupy should attempt to use Jinja templating to add context variables into the unit",
|
|
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|
"type": "boolean"
|
|
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|
},
|
|
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|
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"status": {
|
|
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|
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"description": "Status of the unit.",
|
|
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|
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"type": "string",
|
|
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|
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"enum": [
|
|
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|
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|
|
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|
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|
|
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|
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|
|
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|
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|
|
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|
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|
|
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|
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]
|
|
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|
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},
|
|
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|
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"type": {
|
|
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|
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"const": "error"
|
|
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|
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},
|
|
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|
"reason": {
|
|
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|
"type": "string",
|
|
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|
"description": "JSON string with validation/hydration details: { error, json, schema }"
|
|
@@ -4191,7 +4174,6 @@
|
|
|
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4174
|
"postProcessors",
|
|
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|
"preProcessors",
|
|
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|
"results",
|
|
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|
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|
|
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4177
|
"workflowId"
|
|
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|
],
|
|
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|
"properties": {
|
|
@@ -4307,17 +4289,6 @@
|
|
|
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|
"type": "string"
|
|
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|
}
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|
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|
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|
|
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|
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"status": {
|
|
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|
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"type": "string",
|
|
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|
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"description": "Status of the unit.",
|
|
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|
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"enum": [
|
|
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|
-
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|
|
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|
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"active",
|
|
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|
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|
|
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|
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|
|
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|
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|
|
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|
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]
|
|
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|
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},
|
|
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|
"statusTrack": {
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|
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|
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|
"items": {
|
|
@@ -4342,11 +4313,6 @@
|
|
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|
"isDraft": {
|
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|
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|
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|
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"type": {
|
|
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|
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"description": "type of the unit",
|
|
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|
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"type": "string",
|
|
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|
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"const": "map"
|
|
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|
-
},
|
|
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|
"head": {
|
|
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|
"description": "Whether this unit is the first one to be executed.",
|
|
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|
"type": "boolean"
|
|
@@ -4363,6 +4329,20 @@
|
|
|
4363
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|
"description": "Whether Rupy should attempt to use Jinja templating to add context variables into the unit",
|
|
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|
"type": "boolean"
|
|
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|
},
|
|
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|
+
"status": {
|
|
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|
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"description": "Status of the unit.",
|
|
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|
+
"type": "string",
|
|
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|
+
"enum": [
|
|
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|
+
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|
|
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|
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|
|
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|
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"warning",
|
|
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|
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|
|
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|
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|
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|
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]
|
|
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|
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},
|
|
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|
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"type": {
|
|
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|
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"const": "map"
|
|
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|
+
},
|
|
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|
"workflowId": {
|
|
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4347
|
"description": "Id of workflow to run inside map",
|
|
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|
"type": "string"
|
|
@@ -4422,8 +4402,7 @@
|
|
|
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|
"name",
|
|
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|
"postProcessors",
|
|
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|
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|
|
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|
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|
|
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|
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"type"
|
|
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|
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|
|
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|
],
|
|
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|
"properties": {
|
|
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|
"_id": {
|
|
@@ -4538,17 +4517,6 @@
|
|
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|
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|
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|
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|
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|
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"status": {
|
|
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|
-
"type": "string",
|
|
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|
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"description": "Status of the unit.",
|
|
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|
-
"enum": [
|
|
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|
-
"idle",
|
|
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|
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"active",
|
|
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|
-
"warning",
|
|
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|
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"error",
|
|
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|
-
"finished"
|
|
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|
-
]
|
|
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|
-
},
|
|
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|
"statusTrack": {
|
|
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|
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|
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|
"items": {
|
|
@@ -4573,11 +4541,6 @@
|
|
|
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|
"isDraft": {
|
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|
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|
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|
},
|
|
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|
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"type": {
|
|
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|
-
"description": "type of the unit",
|
|
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|
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"type": "string",
|
|
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|
-
"const": "reduce"
|
|
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|
-
},
|
|
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|
"head": {
|
|
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|
"description": "Whether this unit is the first one to be executed.",
|
|
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|
"type": "boolean"
|
|
@@ -4594,6 +4557,20 @@
|
|
|
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|
"description": "Whether Rupy should attempt to use Jinja templating to add context variables into the unit",
|
|
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|
"type": "boolean"
|
|
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|
},
|
|
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|
+
"status": {
|
|
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|
+
"description": "Status of the unit.",
|
|
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|
+
"type": "string",
|
|
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|
+
"enum": [
|
|
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|
+
"idle",
|
|
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|
+
"active",
|
|
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|
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"warning",
|
|
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|
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"error",
|
|
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|
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"finished"
|
|
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|
+
]
|
|
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|
+
},
|
|
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|
+
"type": {
|
|
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|
+
"const": "reduce"
|
|
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|
+
},
|
|
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4574
|
"mapFlowchartId": {
|
|
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4575
|
"description": "corresponding map unit flowchart ID",
|
|
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|
"type": "string"
|
|
@@ -4634,8 +4611,7 @@
|
|
|
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4611
|
"name",
|
|
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|
"postProcessors",
|
|
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|
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|
|
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|
-
"results"
|
|
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|
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"type"
|
|
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|
+
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|
|
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|
],
|
|
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4616
|
"properties": {
|
|
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|
"_id": {
|
|
@@ -4750,17 +4726,6 @@
|
|
|
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|
"type": "string"
|
|
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4727
|
}
|
|
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|
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|
|
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|
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"status": {
|
|
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|
-
"type": "string",
|
|
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|
-
"description": "Status of the unit.",
|
|
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|
-
"enum": [
|
|
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|
-
"idle",
|
|
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|
-
"active",
|
|
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|
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"warning",
|
|
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|
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"error",
|
|
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|
-
"finished"
|
|
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|
-
]
|
|
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|
-
},
|
|
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|
"statusTrack": {
|
|
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|
"type": "array",
|
|
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|
"items": {
|
|
@@ -4785,11 +4750,6 @@
|
|
|
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|
"isDraft": {
|
|
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|
"type": "boolean"
|
|
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|
},
|
|
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|
-
"type": {
|
|
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|
-
"description": "type of the unit",
|
|
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|
-
"type": "string",
|
|
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|
-
"const": "subworkflow"
|
|
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|
-
},
|
|
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|
"head": {
|
|
4794
4754
|
"description": "Whether this unit is the first one to be executed.",
|
|
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4755
|
"type": "boolean"
|
|
@@ -4805,6 +4765,20 @@
|
|
|
4805
4765
|
"enableRender": {
|
|
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4766
|
"description": "Whether Rupy should attempt to use Jinja templating to add context variables into the unit",
|
|
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4767
|
"type": "boolean"
|
|
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|
+
},
|
|
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|
+
"status": {
|
|
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|
+
"description": "Status of the unit.",
|
|
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|
+
"type": "string",
|
|
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|
+
"enum": [
|
|
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|
+
"idle",
|
|
4774
|
+
"active",
|
|
4775
|
+
"warning",
|
|
4776
|
+
"error",
|
|
4777
|
+
"finished"
|
|
4778
|
+
]
|
|
4779
|
+
},
|
|
4780
|
+
"type": {
|
|
4781
|
+
"const": "subworkflow"
|
|
4808
4782
|
}
|
|
4809
4783
|
}
|
|
4810
4784
|
},
|
|
@@ -4819,8 +4793,7 @@
|
|
|
4819
4793
|
"postProcessors",
|
|
4820
4794
|
"preProcessors",
|
|
4821
4795
|
"reason",
|
|
4822
|
-
"results"
|
|
4823
|
-
"type"
|
|
4796
|
+
"results"
|
|
4824
4797
|
],
|
|
4825
4798
|
"properties": {
|
|
4826
4799
|
"_id": {
|
|
@@ -4935,17 +4908,6 @@
|
|
|
4935
4908
|
"type": "string"
|
|
4936
4909
|
}
|
|
4937
4910
|
},
|
|
4938
|
-
"status": {
|
|
4939
|
-
"type": "string",
|
|
4940
|
-
"description": "Status of the unit.",
|
|
4941
|
-
"enum": [
|
|
4942
|
-
"idle",
|
|
4943
|
-
"active",
|
|
4944
|
-
"warning",
|
|
4945
|
-
"error",
|
|
4946
|
-
"finished"
|
|
4947
|
-
]
|
|
4948
|
-
},
|
|
4949
4911
|
"statusTrack": {
|
|
4950
4912
|
"type": "array",
|
|
4951
4913
|
"items": {
|
|
@@ -4970,11 +4932,6 @@
|
|
|
4970
4932
|
"isDraft": {
|
|
4971
4933
|
"type": "boolean"
|
|
4972
4934
|
},
|
|
4973
|
-
"type": {
|
|
4974
|
-
"description": "type of the unit",
|
|
4975
|
-
"type": "string",
|
|
4976
|
-
"const": "error"
|
|
4977
|
-
},
|
|
4978
4935
|
"head": {
|
|
4979
4936
|
"description": "Whether this unit is the first one to be executed.",
|
|
4980
4937
|
"type": "boolean"
|
|
@@ -4991,6 +4948,20 @@
|
|
|
4991
4948
|
"description": "Whether Rupy should attempt to use Jinja templating to add context variables into the unit",
|
|
4992
4949
|
"type": "boolean"
|
|
4993
4950
|
},
|
|
4951
|
+
"status": {
|
|
4952
|
+
"description": "Status of the unit.",
|
|
4953
|
+
"type": "string",
|
|
4954
|
+
"enum": [
|
|
4955
|
+
"idle",
|
|
4956
|
+
"active",
|
|
4957
|
+
"warning",
|
|
4958
|
+
"error",
|
|
4959
|
+
"finished"
|
|
4960
|
+
]
|
|
4961
|
+
},
|
|
4962
|
+
"type": {
|
|
4963
|
+
"const": "error"
|
|
4964
|
+
},
|
|
4994
4965
|
"reason": {
|
|
4995
4966
|
"type": "string",
|
|
4996
4967
|
"description": "JSON string with validation/hydration details: { error, json, schema }"
|