@mat3ra/esse 2026.7.14-0 → 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.
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
@@ -463,8 +463,7 @@
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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": {
@@ -579,17 +578,6 @@
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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": {
@@ -614,11 +602,6 @@
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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"
@@ -635,6 +618,20 @@
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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",
@@ -767,8 +764,7 @@
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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": {
@@ -883,17 +879,6 @@
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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": {
@@ -918,11 +903,6 @@
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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"
@@ -939,6 +919,20 @@
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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",
@@ -995,8 +989,7 @@
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  "postProcessors",
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  "preProcessors",
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  "results",
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- "statement",
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+ "statement"
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  ],
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  "properties": {
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@@ -1111,17 +1104,6 @@
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  "type": "string"
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- "status": {
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  "items": {
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  "isDraft": {
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  "type": "boolean"
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  },
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- "type": {
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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"
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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"
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  "type": "string"
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  }
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  },
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- "status": {
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  "type": "boolean"
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  },
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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"
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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",
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  "postProcessors",
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  "preProcessors",
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  "results",
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  "value"
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  "isDraft": {
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  "head": {
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  "description": "Whether this unit is the first one to be executed.",
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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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+ "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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+ },
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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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  "postProcessors",
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  "preProcessors",
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  "reason",
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- "results",
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+ "results"
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  "statusTrack": {
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  "isDraft": {
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  "type": "boolean"
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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"
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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 }"
@@ -4179,7 +4162,6 @@
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  "postProcessors",
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  "preProcessors",
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  "results",
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- "type",
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  "workflowId"
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  ],
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  "properties": {
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  }
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  },
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- "active",
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- "finished"
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- ]
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  "type": "array",
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  "items": {
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  "isDraft": {
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  "type": "boolean"
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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"
@@ -4351,6 +4317,20 @@
4351
4317
  "description": "Whether Rupy should attempt to use Jinja templating to add context variables into the unit",
4352
4318
  "type": "boolean"
4353
4319
  },
4320
+ "status": {
4321
+ "description": "Status of the unit.",
4322
+ "type": "string",
4323
+ "enum": [
4324
+ "idle",
4325
+ "active",
4326
+ "warning",
4327
+ "error",
4328
+ "finished"
4329
+ ]
4330
+ },
4331
+ "type": {
4332
+ "const": "map"
4333
+ },
4354
4334
  "workflowId": {
4355
4335
  "description": "Id of workflow to run inside map",
4356
4336
  "type": "string"
@@ -4410,8 +4390,7 @@
4410
4390
  "name",
4411
4391
  "postProcessors",
4412
4392
  "preProcessors",
4413
- "results",
4414
- "type"
4393
+ "results"
4415
4394
  ],
4416
4395
  "properties": {
4417
4396
  "_id": {
@@ -4526,17 +4505,6 @@
4526
4505
  "type": "string"
4527
4506
  }
4528
4507
  },
4529
- "status": {
4530
- "type": "string",
4531
- "description": "Status of the unit.",
4532
- "enum": [
4533
- "idle",
4534
- "active",
4535
- "warning",
4536
- "error",
4537
- "finished"
4538
- ]
4539
- },
4540
4508
  "statusTrack": {
4541
4509
  "type": "array",
4542
4510
  "items": {
@@ -4561,11 +4529,6 @@
4561
4529
  "isDraft": {
4562
4530
  "type": "boolean"
4563
4531
  },
4564
- "type": {
4565
- "description": "type of the unit",
4566
- "type": "string",
4567
- "const": "reduce"
4568
- },
4569
4532
  "head": {
4570
4533
  "description": "Whether this unit is the first one to be executed.",
4571
4534
  "type": "boolean"
@@ -4582,6 +4545,20 @@
4582
4545
  "description": "Whether Rupy should attempt to use Jinja templating to add context variables into the unit",
4583
4546
  "type": "boolean"
4584
4547
  },
4548
+ "status": {
4549
+ "description": "Status of the unit.",
4550
+ "type": "string",
4551
+ "enum": [
4552
+ "idle",
4553
+ "active",
4554
+ "warning",
4555
+ "error",
4556
+ "finished"
4557
+ ]
4558
+ },
4559
+ "type": {
4560
+ "const": "reduce"
4561
+ },
4585
4562
  "mapFlowchartId": {
4586
4563
  "description": "corresponding map unit flowchart ID",
4587
4564
  "type": "string"
@@ -4622,8 +4599,7 @@
4622
4599
  "name",
4623
4600
  "postProcessors",
4624
4601
  "preProcessors",
4625
- "results",
4626
- "type"
4602
+ "results"
4627
4603
  ],
4628
4604
  "properties": {
4629
4605
  "_id": {
@@ -4738,17 +4714,6 @@
4738
4714
  "type": "string"
4739
4715
  }
4740
4716
  },
4741
- "status": {
4742
- "type": "string",
4743
- "description": "Status of the unit.",
4744
- "enum": [
4745
- "idle",
4746
- "active",
4747
- "warning",
4748
- "error",
4749
- "finished"
4750
- ]
4751
- },
4752
4717
  "statusTrack": {
4753
4718
  "type": "array",
4754
4719
  "items": {
@@ -4773,11 +4738,6 @@
4773
4738
  "isDraft": {
4774
4739
  "type": "boolean"
4775
4740
  },
4776
- "type": {
4777
- "description": "type of the unit",
4778
- "type": "string",
4779
- "const": "subworkflow"
4780
- },
4781
4741
  "head": {
4782
4742
  "description": "Whether this unit is the first one to be executed.",
4783
4743
  "type": "boolean"
@@ -4793,6 +4753,20 @@
4793
4753
  "enableRender": {
4794
4754
  "description": "Whether Rupy should attempt to use Jinja templating to add context variables into the unit",
4795
4755
  "type": "boolean"
4756
+ },
4757
+ "status": {
4758
+ "description": "Status of the unit.",
4759
+ "type": "string",
4760
+ "enum": [
4761
+ "idle",
4762
+ "active",
4763
+ "warning",
4764
+ "error",
4765
+ "finished"
4766
+ ]
4767
+ },
4768
+ "type": {
4769
+ "const": "subworkflow"
4796
4770
  }
4797
4771
  }
4798
4772
  },
@@ -4807,8 +4781,7 @@
4807
4781
  "postProcessors",
4808
4782
  "preProcessors",
4809
4783
  "reason",
4810
- "results",
4811
- "type"
4784
+ "results"
4812
4785
  ],
4813
4786
  "properties": {
4814
4787
  "_id": {
@@ -4923,17 +4896,6 @@
4923
4896
  "type": "string"
4924
4897
  }
4925
4898
  },
4926
- "status": {
4927
- "type": "string",
4928
- "description": "Status of the unit.",
4929
- "enum": [
4930
- "idle",
4931
- "active",
4932
- "warning",
4933
- "error",
4934
- "finished"
4935
- ]
4936
- },
4937
4899
  "statusTrack": {
4938
4900
  "type": "array",
4939
4901
  "items": {
@@ -4958,11 +4920,6 @@
4958
4920
  "isDraft": {
4959
4921
  "type": "boolean"
4960
4922
  },
4961
- "type": {
4962
- "description": "type of the unit",
4963
- "type": "string",
4964
- "const": "error"
4965
- },
4966
4923
  "head": {
4967
4924
  "description": "Whether this unit is the first one to be executed.",
4968
4925
  "type": "boolean"
@@ -4979,6 +4936,20 @@
4979
4936
  "description": "Whether Rupy should attempt to use Jinja templating to add context variables into the unit",
4980
4937
  "type": "boolean"
4981
4938
  },
4939
+ "status": {
4940
+ "description": "Status of the unit.",
4941
+ "type": "string",
4942
+ "enum": [
4943
+ "idle",
4944
+ "active",
4945
+ "warning",
4946
+ "error",
4947
+ "finished"
4948
+ ]
4949
+ },
4950
+ "type": {
4951
+ "const": "error"
4952
+ },
4982
4953
  "reason": {
4983
4954
  "type": "string",
4984
4955
  "description": "JSON string with validation/hydration details: { error, json, schema }"