@mat3ra/esse 2024.12.19-0 → 2025.1.27-0

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Files changed (79) hide show
  1. package/dist/js/schema/core/reference/modeling/exabyte.json +3 -0
  2. package/dist/js/schema/core/reference/modeling.json +3 -0
  3. package/dist/js/schema/core/reference.json +3 -0
  4. package/dist/js/schema/in_memory_entity/base.json +0 -41
  5. package/dist/js/schema/in_memory_entity/defaultable.json +0 -41
  6. package/dist/js/schema/in_memory_entity/has_consistency_check_has_metadata_named_defaultable.json +74 -0
  7. package/dist/js/schema/in_memory_entity/named.json +0 -41
  8. package/dist/js/schema/in_memory_entity/named_defaultable.json +0 -41
  9. package/dist/js/schema/in_memory_entity/named_defaultable_has_metadata.json +0 -41
  10. package/dist/js/schema/in_memory_entity/named_defaultable_runtime_items.json +0 -41
  11. package/dist/js/schema/job/base.json +9 -41
  12. package/dist/js/schema/job.json +9 -1025
  13. package/dist/js/schema/material/consistency_check.json +40 -0
  14. package/dist/js/schema/material.json +17 -16
  15. package/dist/js/schema/project.json +0 -41
  16. package/dist/js/schema/property/base.json +0 -41
  17. package/dist/js/schema/property/meta.json +0 -41
  18. package/dist/js/schema/property/raw.json +0 -41
  19. package/dist/js/schema/software/application.json +0 -41
  20. package/dist/js/schema/software/executable.json +0 -41
  21. package/dist/js/schema/software/flavor.json +0 -41
  22. package/dist/js/schema/software/template.json +0 -41
  23. package/dist/js/schema/software_directory/ml/unit/execution/evaluate/cross_validate.json +0 -164
  24. package/dist/js/schema/software_directory/ml/unit/execution/initialize.json +0 -164
  25. package/dist/js/schema/software_directory/ml/unit/execution/score.json +0 -164
  26. package/dist/js/schema/software_directory/ml/unit/execution/train.json +0 -164
  27. package/dist/js/schema/software_directory/ml/unit/execution.json +0 -656
  28. package/dist/js/schema/software_directory/ml/unit/processing/data_transformation/manipulation.json +0 -41
  29. package/dist/js/schema/software_directory/ml/unit/processing/data_transformation/scale_and_reduce.json +0 -41
  30. package/dist/js/schema/software_directory/ml/unit/processing/data_transformation.json +0 -41
  31. package/dist/js/schema/software_directory/ml/unit/processing/feature_selection/filter_based.json +0 -41
  32. package/dist/js/schema/software_directory/ml/unit/processing/feature_selection.json +0 -41
  33. package/dist/js/schema/software_directory/ml/unit/processing.json +0 -82
  34. package/dist/js/schema/software_directory/modeling/deepmd.json +0 -41
  35. package/dist/js/schema/software_directory/modeling/nwchem.json +0 -41
  36. package/dist/js/schema/software_directory/modeling/unit/execution.json +0 -164
  37. package/dist/js/schema/software_directory/modeling/vasp.json +0 -41
  38. package/dist/js/schema/software_directory/scripting/jupyter_lab.json +0 -41
  39. package/dist/js/schema/software_directory/scripting/python.json +0 -41
  40. package/dist/js/schema/software_directory/scripting/shell.json +0 -41
  41. package/dist/js/schema/software_directory/scripting/unit/execution.json +0 -164
  42. package/dist/js/schema/system/_material.json +3 -0
  43. package/dist/js/schema/system/_parent_job.json +3 -0
  44. package/dist/js/schema/system/_project.json +3 -0
  45. package/dist/js/schema/system/consistency_check.json +1 -5
  46. package/dist/js/schema/system/creator.json +3 -0
  47. package/dist/js/schema/system/creator_account.json +3 -0
  48. package/dist/js/schema/system/description.json +1 -1
  49. package/dist/js/schema/system/entity_reference.json +3 -0
  50. package/dist/js/schema/system/has_consistency_check.json +46 -0
  51. package/dist/js/schema/system/in_set.json +3 -0
  52. package/dist/js/schema/system/job_extended.json +6 -0
  53. package/dist/js/schema/system/owner.json +3 -0
  54. package/dist/js/schema/workflow/base.json +0 -41
  55. package/dist/js/schema/workflow/subworkflow/unit.json +0 -410
  56. package/dist/js/schema/workflow/subworkflow.json +0 -451
  57. package/dist/js/schema/workflow/unit/assertion.json +0 -41
  58. package/dist/js/schema/workflow/unit/assignment.json +0 -41
  59. package/dist/js/schema/workflow/unit/base.json +0 -41
  60. package/dist/js/schema/workflow/unit/condition.json +0 -41
  61. package/dist/js/schema/workflow/unit/execution.json +0 -164
  62. package/dist/js/schema/workflow/unit/io.json +0 -41
  63. package/dist/js/schema/workflow/unit/map.json +0 -41
  64. package/dist/js/schema/workflow/unit/processing.json +0 -41
  65. package/dist/js/schema/workflow/unit/reduce.json +0 -41
  66. package/dist/js/schema/workflow/unit/subworkflow.json +0 -41
  67. package/dist/js/schema/workflow/unit.json +0 -492
  68. package/dist/js/schema/workflow.json +0 -984
  69. package/dist/js/schemas.json +1 -1
  70. package/dist/js/types.d.ts +142 -3002
  71. package/package.json +3 -3
  72. package/schema/in_memory_entity/base.json +0 -6
  73. package/schema/in_memory_entity/has_consistency_check_has_metadata_named_defaultable.json +13 -0
  74. package/schema/material/consistency_check.json +22 -0
  75. package/schema/material.json +6 -0
  76. package/schema/system/consistency_check.json +1 -5
  77. package/schema/system/description.json +1 -1
  78. package/schema/system/entity_reference.json +2 -1
  79. package/schema/system/has_consistency_check.json +16 -0
package/dist/js/schema/material/consistency_check.json ADDED
@@ -0,0 +1,40 @@
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+ {
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+ "$id": "material/consistency-check",
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+ "$schema": "http://json-schema.org/draft-07/schema#",
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+ "title": "material consistency check schema",
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+ "type": "object",
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+ "description": "The output of consistency checks performed on data adhering to JSON schema, but inconsistent with scientific or logical rules, to show problems in UI.",
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+ "required": [
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+ "key",
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+ "name",
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+ "severity",
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+ "message"
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+ ],
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+ "properties": {
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+ "name": {
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+ "type": "string",
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+ "enum": [
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+ "default",
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+ "atomsTooClose",
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+ "atomsOverlap"
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+ ],
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+ "description": "Name of the consistency check that is performed, which is listed in an enum."
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+ },
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+ "key": {
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+ "type": "string",
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+ "description": "Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'"
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+ },
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+ "severity": {
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+ "enum": [
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+ "info",
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+ "warning",
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+ "error"
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+ ],
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+ "description": "Severity level of the problem, which is used in UI to differentiate."
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+ },
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+ "message": {
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+ "type": "string",
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+ "description": "Message generated by the consistency check describing the problem."
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+ }
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+ }
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+ }
package/dist/js/schema/material.json CHANGED
@@ -572,22 +572,11 @@
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  "description": "Whether to work in the finite molecular picture (usually with atomic orbital basis)",
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  "type": "boolean"
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  },
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- "_id": {
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- "description": "entity identity",
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- "type": "string"
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- },
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- "slug": {
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- "description": "entity slug",
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- "type": "string"
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- },
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- "systemName": {
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- "type": "string"
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- },
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  "consistencyChecks": {
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  "type": "array",
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  "items": {
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  "$schema": "http://json-schema.org/draft-07/schema#",
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- "title": "consistency check",
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+ "title": "material consistency check schema",
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  "type": "object",
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  "description": "The output of consistency checks performed on data adhering to JSON schema, but inconsistent with scientific or logical rules, to show problems in UI.",
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  "required": [
@@ -597,11 +586,8 @@
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  "message"
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  ],
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  "properties": {
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- "key": {
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- "type": "string",
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- "description": "Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'"
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- },
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  "name": {
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+ "type": "string",
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  "enum": [
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  "default",
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  "atomsTooClose",
@@ -609,6 +595,10 @@
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  ],
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  "description": "Name of the consistency check that is performed, which is listed in an enum."
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  },
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+ "key": {
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+ "type": "string",
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+ "description": "Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'"
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+ },
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  "severity": {
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  "enum": [
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  "info",
@@ -624,6 +614,17 @@
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  }
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  }
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  },
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+ "_id": {
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+ "description": "entity identity",
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+ "type": "string"
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+ },
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+ "slug": {
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+ "description": "entity slug",
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+ "type": "string"
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+ },
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+ "systemName": {
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+ "type": "string"
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+ },
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  "schemaVersion": {
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  "description": "entity's schema version. Used to distinct between different schemas.",
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  "type": "string",
package/dist/js/schema/project.json CHANGED
@@ -41,47 +41,6 @@
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  "systemName": {
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  "type": "string"
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  },
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- "consistencyChecks": {
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- "type": "array",
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- "items": {
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- "$schema": "http://json-schema.org/draft-07/schema#",
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- "title": "consistency check",
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- "type": "object",
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- "description": "The output of consistency checks performed on data adhering to JSON schema, but inconsistent with scientific or logical rules, to show problems in UI.",
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- "required": [
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- "key",
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- "name",
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- "severity",
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- "message"
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- ],
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- "properties": {
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- "key": {
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- "type": "string",
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- "description": "Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'"
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- },
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- "name": {
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- "enum": [
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- "default",
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- "atomsTooClose",
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- "atomsOverlap"
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- ],
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- "description": "Name of the consistency check that is performed, which is listed in an enum."
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- },
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- "severity": {
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- "enum": [
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- "info",
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- "warning",
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- "error"
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- ],
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- "description": "Severity level of the problem, which is used in UI to differentiate."
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- },
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- "message": {
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- "type": "string",
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- "description": "Message generated by the consistency check describing the problem."
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- }
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- }
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- }
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- },
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  "schemaVersion": {
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  "description": "entity's schema version. Used to distinct between different schemas.",
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  "type": "string",
package/dist/js/schema/property/base.json CHANGED
@@ -337,47 +337,6 @@
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  "systemName": {
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  "type": "string"
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  },
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- "consistencyChecks": {
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- "type": "array",
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- "items": {
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- "$schema": "http://json-schema.org/draft-07/schema#",
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- "title": "consistency check",
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- "type": "object",
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- "description": "The output of consistency checks performed on data adhering to JSON schema, but inconsistent with scientific or logical rules, to show problems in UI.",
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- "required": [
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- "key",
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- "name",
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- "severity",
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- "message"
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- ],
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- "properties": {
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- "key": {
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- "type": "string",
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- "description": "Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'"
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- },
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- "name": {
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- "enum": [
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- "default",
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- "atomsTooClose",
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- "atomsOverlap"
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- ],
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- "description": "Name of the consistency check that is performed, which is listed in an enum."
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- },
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- "severity": {
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- "enum": [
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- "info",
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- "warning",
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- "error"
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- ],
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- "description": "Severity level of the problem, which is used in UI to differentiate."
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- },
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- "message": {
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- "type": "string",
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- "description": "Message generated by the consistency check describing the problem."
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- }
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- }
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- }
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- },
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  "schemaVersion": {
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  "description": "entity's schema version. Used to distinct between different schemas.",
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  "type": "string",
package/dist/js/schema/property/meta.json CHANGED
@@ -337,47 +337,6 @@
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  "systemName": {
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  "type": "string"
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  },
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- "consistencyChecks": {
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- "type": "array",
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- "items": {
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- "$schema": "http://json-schema.org/draft-07/schema#",
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- "title": "consistency check",
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- "type": "object",
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- "description": "The output of consistency checks performed on data adhering to JSON schema, but inconsistent with scientific or logical rules, to show problems in UI.",
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- "required": [
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- "key",
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- "name",
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- "severity",
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- "message"
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- ],
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- "properties": {
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- "key": {
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- "type": "string",
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- "description": "Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'"
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- },
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- "name": {
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- "enum": [
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- "default",
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- "atomsTooClose",
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- "atomsOverlap"
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- ],
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- "description": "Name of the consistency check that is performed, which is listed in an enum."
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- },
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- "severity": {
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- "enum": [
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- "info",
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- "warning",
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- "error"
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- ],
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- "description": "Severity level of the problem, which is used in UI to differentiate."
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- },
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- "message": {
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- "type": "string",
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- "description": "Message generated by the consistency check describing the problem."
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- }
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- }
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- }
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- },
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  "schemaVersion": {
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  "description": "entity's schema version. Used to distinct between different schemas.",
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  "type": "string",
package/dist/js/schema/property/raw.json CHANGED
@@ -337,47 +337,6 @@
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  "systemName": {
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  "type": "string"
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  },
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- "consistencyChecks": {
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- "type": "array",
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- "items": {
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- "$schema": "http://json-schema.org/draft-07/schema#",
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- "title": "consistency check",
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- "type": "object",
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- "description": "The output of consistency checks performed on data adhering to JSON schema, but inconsistent with scientific or logical rules, to show problems in UI.",
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- "required": [
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- "key",
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- "name",
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- "severity",
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- "message"
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- ],
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- "properties": {
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- "key": {
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- "type": "string",
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- "description": "Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'"
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- },
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- "name": {
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- "enum": [
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- "default",
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- "atomsTooClose",
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- "atomsOverlap"
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- ],
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- "description": "Name of the consistency check that is performed, which is listed in an enum."
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- },
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- "severity": {
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- "enum": [
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- "info",
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- "warning",
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- "error"
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- ],
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- "description": "Severity level of the problem, which is used in UI to differentiate."
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- },
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- "message": {
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- "type": "string",
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- "description": "Message generated by the consistency check describing the problem."
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- }
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- }
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- }
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- },
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  "schemaVersion": {
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  "description": "entity's schema version. Used to distinct between different schemas.",
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  "type": "string",
package/dist/js/schema/software/application.json CHANGED
@@ -40,47 +40,6 @@
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  "systemName": {
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  "type": "string"
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  },
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- "consistencyChecks": {
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- "type": "array",
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- "items": {
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- "$schema": "http://json-schema.org/draft-07/schema#",
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- "title": "consistency check",
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- "type": "object",
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- "description": "The output of consistency checks performed on data adhering to JSON schema, but inconsistent with scientific or logical rules, to show problems in UI.",
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- "required": [
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- "key",
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- "name",
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- "severity",
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- "message"
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- ],
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- "properties": {
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- "key": {
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- "type": "string",
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- "description": "Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'"
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- },
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- "name": {
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- "enum": [
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- "default",
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- "atomsTooClose",
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- "atomsOverlap"
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- ],
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- "description": "Name of the consistency check that is performed, which is listed in an enum."
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- },
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- "severity": {
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- "enum": [
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- "info",
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- "warning",
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- "error"
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- ],
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- "description": "Severity level of the problem, which is used in UI to differentiate."
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- },
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- "message": {
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- "type": "string",
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- "description": "Message generated by the consistency check describing the problem."
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- }
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- }
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- }
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- },
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  "schemaVersion": {
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  "description": "entity's schema version. Used to distinct between different schemas.",
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  "type": "string",
package/dist/js/schema/software/executable.json CHANGED
@@ -33,47 +33,6 @@
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  "systemName": {
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  "type": "string"
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  },
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- "consistencyChecks": {
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- "type": "array",
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- "items": {
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- "$schema": "http://json-schema.org/draft-07/schema#",
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- "title": "consistency check",
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- "type": "object",
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- "description": "The output of consistency checks performed on data adhering to JSON schema, but inconsistent with scientific or logical rules, to show problems in UI.",
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- "required": [
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- "key",
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- "name",
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- "severity",
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- "message"
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- ],
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- "properties": {
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- "key": {
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- "type": "string",
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- "description": "Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'"
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- },
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- "name": {
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- "enum": [
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- "default",
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- "atomsTooClose",
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- "atomsOverlap"
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- ],
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- "description": "Name of the consistency check that is performed, which is listed in an enum."
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- },
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- "severity": {
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- "enum": [
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- "info",
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- "warning",
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- "error"
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- ],
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- "description": "Severity level of the problem, which is used in UI to differentiate."
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- },
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- "message": {
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- "type": "string",
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- "description": "Message generated by the consistency check describing the problem."
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- }
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- }
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- }
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- },
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  "schemaVersion": {
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  "description": "entity's schema version. Used to distinct between different schemas.",
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  "type": "string",
package/dist/js/schema/software/flavor.json CHANGED
@@ -49,47 +49,6 @@
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  "systemName": {
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  "type": "string"
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  },
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- "consistencyChecks": {
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- "type": "array",
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- "items": {
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- "$schema": "http://json-schema.org/draft-07/schema#",
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- "title": "consistency check",
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- "type": "object",
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- "description": "The output of consistency checks performed on data adhering to JSON schema, but inconsistent with scientific or logical rules, to show problems in UI.",
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- "required": [
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- "key",
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- "name",
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- "severity",
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- "message"
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- ],
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- "properties": {
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- "key": {
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- "type": "string",
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- "description": "Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'"
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- },
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- "name": {
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- "enum": [
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- "default",
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- "atomsTooClose",
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- "atomsOverlap"
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- ],
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- "description": "Name of the consistency check that is performed, which is listed in an enum."
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- },
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- "severity": {
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- "enum": [
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- "info",
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- "warning",
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- "error"
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- ],
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- "description": "Severity level of the problem, which is used in UI to differentiate."
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- },
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- "message": {
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- "type": "string",
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- "description": "Message generated by the consistency check describing the problem."
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- }
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- }
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- }
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- },
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  "schemaVersion": {
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  "description": "entity's schema version. Used to distinct between different schemas.",
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  "type": "string",
package/dist/js/schema/software/template.json CHANGED
@@ -53,47 +53,6 @@
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  "systemName": {
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  "type": "string"
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  },
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- "consistencyChecks": {
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- "type": "array",
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- "items": {
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- "$schema": "http://json-schema.org/draft-07/schema#",
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- "title": "consistency check",
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- "type": "object",
62
- "description": "The output of consistency checks performed on data adhering to JSON schema, but inconsistent with scientific or logical rules, to show problems in UI.",
63
- "required": [
64
- "key",
65
- "name",
66
- "severity",
67
- "message"
68
- ],
69
- "properties": {
70
- "key": {
71
- "type": "string",
72
- "description": "Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'"
73
- },
74
- "name": {
75
- "enum": [
76
- "default",
77
- "atomsTooClose",
78
- "atomsOverlap"
79
- ],
80
- "description": "Name of the consistency check that is performed, which is listed in an enum."
81
- },
82
- "severity": {
83
- "enum": [
84
- "info",
85
- "warning",
86
- "error"
87
- ],
88
- "description": "Severity level of the problem, which is used in UI to differentiate."
89
- },
90
- "message": {
91
- "type": "string",
92
- "description": "Message generated by the consistency check describing the problem."
93
- }
94
- }
95
- }
96
- },
97
56
  "schemaVersion": {
98
57
  "description": "entity's schema version. Used to distinct between different schemas.",
99
58
  "type": "string",