@mat3ra/esse 2026.7.14-0 → 2026.8.13-0

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Files changed (100) hide show
  1. package/.cursor/rules/resolve-generated-merge-conflicts.mdc +36 -0
  2. package/dist/js/esse/JSONSchemasInterface.d.ts +4 -0
  3. package/dist/js/esse/JSONSchemasInterface.js +10 -0
  4. package/dist/js/example/properties_directory/scalar/defect_formation_energy.json +5 -0
  5. package/dist/js/schema/job.json +147 -176
  6. package/dist/js/schema/material/material_properties.json +0 -4
  7. package/dist/js/schema/material.json +0 -4
  8. package/dist/js/schema/material_enhanced.json +889 -0
  9. package/dist/js/schema/material_enhanced_hashed.json +898 -0
  10. package/dist/js/schema/material_hashed.json +858 -0
  11. package/dist/js/schema/materials_category/compound_pristine_structures/two_dimensional/interface/configuration.json +0 -36
  12. package/dist/js/schema/materials_category/defective_structures/one_dimensional/grain_boundary_linear/configuration.json +0 -36
  13. package/dist/js/schema/materials_category/defective_structures/three_dimensional/solid_solution/configuration.json +0 -12
  14. package/dist/js/schema/materials_category/defective_structures/two_dimensional/adatom/configuration.json +0 -16
  15. package/dist/js/schema/materials_category/defective_structures/two_dimensional/grain_boundary_planar/configuration.json +0 -36
  16. package/dist/js/schema/materials_category/defective_structures/two_dimensional/island/configuration.json +0 -24
  17. package/dist/js/schema/materials_category/defective_structures/two_dimensional/terrace/configuration.json +0 -24
  18. package/dist/js/schema/materials_category/defective_structures/zero_dimensional/point_defect/base_configuration.json +0 -4
  19. package/dist/js/schema/materials_category/defective_structures/zero_dimensional/point_defect/interstitial.json +0 -8
  20. package/dist/js/schema/materials_category/defective_structures/zero_dimensional/point_defect/substitutional.json +0 -8
  21. package/dist/js/schema/materials_category/defective_structures/zero_dimensional/point_defect/vacancy.json +0 -4
  22. package/dist/js/schema/materials_category/pristine_structures/three_dimensional/ideal_crystal.json +0 -4
  23. package/dist/js/schema/materials_category/pristine_structures/two_dimensional/nanoribbon.json +0 -12
  24. package/dist/js/schema/materials_category/pristine_structures/two_dimensional/nanotape.json +0 -8
  25. package/dist/js/schema/materials_category/pristine_structures/two_dimensional/slab.json +0 -8
  26. package/dist/js/schema/materials_category/pristine_structures/two_dimensional/slab_strained_supercell.json +0 -8
  27. package/dist/js/schema/materials_category/processed_structures/two_dimensional/passivation/configuration.json +0 -8
  28. package/dist/js/schema/materials_category_components/entities/auxiliary/zero_dimensional/crystal_site.json +0 -4
  29. package/dist/js/schema/materials_category_components/entities/auxiliary/zero_dimensional/point_defect_site.json +0 -4
  30. package/dist/js/schema/materials_category_components/entities/auxiliary/zero_dimensional/void_region.json +0 -4
  31. package/dist/js/schema/materials_category_components/entities/core/three_dimensional/crystal.json +0 -4
  32. package/dist/js/schema/materials_category_components/entities/core/two_dimensional/vacuum.json +0 -4
  33. package/dist/js/schema/materials_category_components/entities/reusable/one_dimensional/crystal_lattice_lines.json +0 -4
  34. package/dist/js/schema/materials_category_components/entities/reusable/one_dimensional/crystal_lattice_lines_unique_repeated.json +0 -4
  35. package/dist/js/schema/materials_category_components/entities/reusable/three_dimensional/crystal_lattice_base.json +0 -4
  36. package/dist/js/schema/materials_category_components/entities/reusable/three_dimensional/strained_non_uniform.json +0 -4
  37. package/dist/js/schema/materials_category_components/entities/reusable/three_dimensional/strained_uniform.json +0 -4
  38. package/dist/js/schema/materials_category_components/entities/reusable/three_dimensional/supercell.json +0 -4
  39. package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/atomic_layers.json +0 -4
  40. package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/atomic_layers_unique.json +0 -4
  41. package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/atomic_layers_unique_repeated.json +0 -4
  42. package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/crystal_lattice_planes.json +0 -4
  43. package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/slab_stack_configuration.json +0 -12
  44. package/dist/js/schema/materials_category_components/operations/core/modifications/perturb.json +0 -4
  45. package/dist/js/schema/properties_directory/enum_options.json +1 -0
  46. package/dist/js/schema/properties_directory/non_scalar/workflow.json +147 -176
  47. package/dist/js/schema/properties_directory/scalar/defect_formation_energy.json +43 -0
  48. package/dist/js/schema/properties_directory/structural/basis_constrained.json +292 -0
  49. package/dist/js/schema/property/holder.json +189 -176
  50. package/dist/js/schema/software_directory/modeling/unit/execution.json +14 -16
  51. package/dist/js/schema/software_directory/scripting/unit/execution.json +14 -16
  52. package/dist/js/schema/system/bankable.json +1 -6
  53. package/dist/js/schema/system/hashed.json +15 -0
  54. package/dist/js/schema/system/status_track.json +29 -0
  55. package/dist/js/schema/workflow/base.json +147 -176
  56. package/dist/js/schema/workflow/subworkflow/mixin.json +88 -105
  57. package/dist/js/schema/workflow/subworkflow/unit.json +88 -105
  58. package/dist/js/schema/workflow/subworkflow.json +88 -105
  59. package/dist/js/schema/workflow/unit/assertion.json +15 -18
  60. package/dist/js/schema/workflow/unit/assignment.json +14 -17
  61. package/dist/js/schema/workflow/unit/base.json +12 -17
  62. package/dist/js/schema/workflow/unit/condition.json +15 -18
  63. package/dist/js/schema/workflow/unit/error.json +15 -18
  64. package/dist/js/schema/workflow/unit/execution.json +14 -16
  65. package/dist/js/schema/workflow/unit/io.json +15 -18
  66. package/dist/js/schema/workflow/unit/map.json +14 -17
  67. package/dist/js/schema/workflow/unit/mixins/base.json +11 -20
  68. package/dist/js/schema/workflow/unit/reduce.json +15 -18
  69. package/dist/js/schema/workflow/unit/subworkflow.json +15 -18
  70. package/dist/js/schema/workflow/unit.json +59 -71
  71. package/dist/js/schema/workflow.json +147 -176
  72. package/dist/js/schemas.json +1 -1
  73. package/dist/js/types.d.ts +1603 -1247
  74. package/dist/js/utils/ajv.d.ts +6 -5
  75. package/dist/js/utils/ajv.js +22 -9
  76. package/dist/js/utils/ajvKeywords/jsonSchemaToTypescriptKeywords.d.ts +7 -0
  77. package/dist/js/utils/ajvKeywords/jsonSchemaToTypescriptKeywords.js +21 -0
  78. package/dist/js/utils/removeEmptyAndNullProperties.d.ts +9 -0
  79. package/dist/js/utils/removeEmptyAndNullProperties.js +29 -0
  80. package/example/properties_directory/scalar/defect_formation_energy.json +5 -0
  81. package/manifest/properties.yaml +6 -0
  82. package/package.json +1 -1
  83. package/schema/material/material_properties.json +0 -4
  84. package/schema/material_enhanced.json +18 -0
  85. package/schema/material_enhanced_hashed.json +14 -0
  86. package/schema/material_hashed.json +22 -0
  87. package/schema/properties_directory/enum_options.json +1 -0
  88. package/schema/properties_directory/scalar/defect_formation_energy.json +21 -0
  89. package/schema/properties_directory/structural/basis_constrained.json +19 -0
  90. package/schema/property/holder.json +3 -0
  91. package/schema/system/bankable.json +1 -6
  92. package/schema/system/hashed.json +15 -0
  93. package/schema/system/status.json +5 -21
  94. package/schema/system/status_track.json +29 -0
  95. package/schema/workflow/unit/base.json +1 -1
  96. package/schema/workflow/unit/mixins/base.json +11 -20
  97. package/src/js/esse/JSONSchemasInterface.ts +11 -0
  98. package/src/js/utils/ajv.ts +22 -9
  99. package/src/js/utils/ajvKeywords/jsonSchemaToTypescriptKeywords.ts +22 -0
  100. package/src/js/utils/removeEmptyAndNullProperties.ts +32 -0
package/dist/js/schema/workflow/subworkflow/mixin.json CHANGED
@@ -210,8 +210,7 @@
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  "preProcessors",
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  "results",
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  "source",
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- "subtype",
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- "type"
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+ "subtype"
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  ],
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  "properties": {
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  "_id": {
@@ -326,17 +325,6 @@
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  "type": "string"
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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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- "warning",
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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": {
@@ -361,11 +349,6 @@
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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": "io"
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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"
@@ -382,6 +365,20 @@
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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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+ "warning",
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+ "error",
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+ "finished"
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+ ]
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+ },
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+ "type": {
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+ "const": "io"
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+ },
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  "subtype": {
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  "enum": [
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  "input",
@@ -514,8 +511,7 @@
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  "preProcessors",
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  "results",
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  "statement",
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- "then",
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- "type"
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+ "then"
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  ],
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  "properties": {
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  "_id": {
@@ -630,17 +626,6 @@
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  "type": "string"
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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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- "warning",
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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": {
@@ -665,11 +650,6 @@
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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": "condition"
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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"
@@ -686,6 +666,20 @@
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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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+ "warning",
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+ "error",
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+ "finished"
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+ ]
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+ },
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+ "type": {
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+ "const": "condition"
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+ },
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  "input": {
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  "description": "Input information for condition.",
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  "type": "array",
@@ -742,8 +736,7 @@
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  "postProcessors",
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  "preProcessors",
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  "results",
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- "statement",
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- "type"
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+ "statement"
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  ],
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  "properties": {
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  "_id": {
@@ -858,17 +851,6 @@
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  "type": "string"
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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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- "warning",
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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": {
@@ -893,11 +875,6 @@
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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": "assertion"
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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"
@@ -914,6 +891,20 @@
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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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+ "warning",
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+ "error",
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+ "finished"
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+ ]
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+ },
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+ "type": {
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+ "const": "assertion"
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+ },
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  "statement": {
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  "type": "string",
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  "description": "The statement to be evaluated"
@@ -1055,17 +1046,6 @@
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  "type": "string"
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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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- "warning",
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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": {
@@ -1090,11 +1070,6 @@
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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": "execution"
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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"
@@ -1111,6 +1086,20 @@
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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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+ "warning",
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+ "error",
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+ "finished"
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+ ]
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+ },
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+ "type": {
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+ "const": "execution"
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+ },
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  "application": {
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  "$schema": "http://json-schema.org/draft-07/schema#",
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  "title": "application schema",
@@ -3091,7 +3080,6 @@
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  "postProcessors",
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  "preProcessors",
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  "results",
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- "type",
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  "value"
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  ],
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  "properties": {
@@ -3207,17 +3195,6 @@
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  "type": "string"
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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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- "warning",
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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": {
@@ -3242,11 +3219,6 @@
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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": "assignment"
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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"
@@ -3263,9 +3235,23 @@
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  "description": "Whether Rupy should attempt to use Jinja templating to add context variables into the unit",
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  "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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+ "warning",
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+ "error",
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+ "finished"
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+ ]
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+ },
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  "scope": {
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  "type": "string"
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  },
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+ "type": {
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+ "const": "assignment"
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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",
@@ -3320,8 +3306,7 @@
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  "postProcessors",
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  "preProcessors",
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  "reason",
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- "results",
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- "type"
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+ "results"
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  ],
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  "properties": {
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  "_id": {
@@ -3436,17 +3421,6 @@
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  "type": "string"
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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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- "warning",
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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": {
@@ -3471,11 +3445,6 @@
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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": "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"
@@ -3492,6 +3461,20 @@
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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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+ "warning",
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+ "error",
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+ "finished"
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+ ]
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+ },
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+ "type": {
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+ "const": "error"
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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 }"