@mat3ra/esse 2024.12.19-1 → 2025.4.3-0
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/.pre-commit-config.yaml +3 -2
- package/dist/js/schema/core/primitive/integer_positive_single_digit.json +8 -0
- package/dist/js/schema/core/reference/modeling/exabyte.json +3 -0
- package/dist/js/schema/core/reference/modeling.json +3 -0
- package/dist/js/schema/core/reference.json +3 -0
- package/dist/js/schema/definitions/constants.json +52 -0
- package/dist/js/schema/definitions/units.json +41 -5
- package/dist/js/schema/element.json +4 -5
- package/dist/js/schema/in_memory_entity/base.json +0 -41
- package/dist/js/schema/in_memory_entity/defaultable.json +0 -41
- package/dist/js/schema/in_memory_entity/has_consistency_check_has_metadata_named_defaultable.json +74 -0
- package/dist/js/schema/in_memory_entity/named.json +0 -41
- package/dist/js/schema/in_memory_entity/named_defaultable.json +0 -41
- package/dist/js/schema/in_memory_entity/named_defaultable_has_metadata.json +0 -41
- package/dist/js/schema/in_memory_entity/named_defaultable_runtime_items.json +0 -41
- package/dist/js/schema/job/base.json +9 -41
- package/dist/js/schema/job.json +9 -1025
- package/dist/js/schema/material/consistency_check.json +40 -0
- package/dist/js/schema/material.json +52 -82
- package/dist/js/schema/project.json +0 -41
- package/dist/js/schema/properties_directory/elemental/atomic_radius.json +4 -5
- package/dist/js/schema/properties_directory/non_scalar/average_potential_profile.json +4 -5
- package/dist/js/schema/properties_directory/non_scalar/band_structure.json +2 -10
- package/dist/js/schema/properties_directory/non_scalar/phonon_dispersions.json +2 -10
- package/dist/js/schema/properties_directory/structural/basis/atomic_coordinates.json +4 -5
- package/dist/js/schema/properties_directory/structural/basis/atomic_label.json +19 -0
- package/dist/js/schema/properties_directory/structural/basis.json +19 -50
- package/dist/js/schema/properties_directory/structural/lattice/lattice_bravais.json +12 -6
- package/dist/js/schema/properties_directory/structural/lattice/lattice_vectors.json +4 -5
- package/dist/js/schema/properties_directory/structural/lattice/type_enum.json +3 -2
- package/dist/js/schema/properties_directory/structural/lattice/type_extended_enum.json +3 -2
- package/dist/js/schema/properties_directory/structural/lattice.json +16 -16
- package/dist/js/schema/property/base.json +0 -41
- package/dist/js/schema/property/meta.json +0 -41
- package/dist/js/schema/property/raw.json +0 -41
- package/dist/js/schema/software/application.json +0 -41
- package/dist/js/schema/software/executable.json +0 -41
- package/dist/js/schema/software/flavor.json +0 -41
- package/dist/js/schema/software/template.json +0 -41
- package/dist/js/schema/software_directory/ml/unit/execution/evaluate/cross_validate.json +0 -164
- package/dist/js/schema/software_directory/ml/unit/execution/initialize.json +0 -164
- package/dist/js/schema/software_directory/ml/unit/execution/score.json +0 -164
- package/dist/js/schema/software_directory/ml/unit/execution/train.json +0 -164
- package/dist/js/schema/software_directory/ml/unit/execution.json +0 -656
- package/dist/js/schema/software_directory/ml/unit/processing/data_transformation/manipulation.json +0 -41
- package/dist/js/schema/software_directory/ml/unit/processing/data_transformation/scale_and_reduce.json +0 -41
- package/dist/js/schema/software_directory/ml/unit/processing/data_transformation.json +0 -41
- package/dist/js/schema/software_directory/ml/unit/processing/feature_selection/filter_based.json +0 -41
- package/dist/js/schema/software_directory/ml/unit/processing/feature_selection.json +0 -41
- package/dist/js/schema/software_directory/ml/unit/processing.json +0 -82
- package/dist/js/schema/software_directory/modeling/deepmd.json +0 -41
- package/dist/js/schema/software_directory/modeling/nwchem.json +0 -41
- package/dist/js/schema/software_directory/modeling/unit/execution.json +0 -164
- package/dist/js/schema/software_directory/modeling/vasp.json +0 -41
- package/dist/js/schema/software_directory/scripting/jupyter_lab.json +0 -41
- package/dist/js/schema/software_directory/scripting/python.json +0 -41
- package/dist/js/schema/software_directory/scripting/shell.json +0 -41
- package/dist/js/schema/software_directory/scripting/unit/execution.json +0 -164
- package/dist/js/schema/system/_material.json +3 -0
- package/dist/js/schema/system/_parent_job.json +3 -0
- package/dist/js/schema/system/_project.json +3 -0
- package/dist/js/schema/system/consistency_check.json +1 -5
- package/dist/js/schema/system/creator.json +3 -0
- package/dist/js/schema/system/creator_account.json +3 -0
- package/dist/js/schema/system/description.json +1 -1
- package/dist/js/schema/system/entity_reference.json +3 -0
- package/dist/js/schema/system/has_consistency_check.json +46 -0
- package/dist/js/schema/system/in_set.json +3 -0
- package/dist/js/schema/system/job_extended.json +6 -0
- package/dist/js/schema/system/owner.json +3 -0
- package/dist/js/schema/workflow/base.json +0 -41
- package/dist/js/schema/workflow/subworkflow/unit.json +0 -410
- package/dist/js/schema/workflow/subworkflow.json +0 -451
- package/dist/js/schema/workflow/unit/assertion.json +0 -41
- package/dist/js/schema/workflow/unit/assignment.json +0 -41
- package/dist/js/schema/workflow/unit/base.json +0 -41
- package/dist/js/schema/workflow/unit/condition.json +0 -41
- package/dist/js/schema/workflow/unit/execution.json +0 -164
- package/dist/js/schema/workflow/unit/io.json +0 -41
- package/dist/js/schema/workflow/unit/map.json +0 -41
- package/dist/js/schema/workflow/unit/processing.json +0 -41
- package/dist/js/schema/workflow/unit/reduce.json +0 -41
- package/dist/js/schema/workflow/unit/subworkflow.json +0 -41
- package/dist/js/schema/workflow/unit.json +0 -492
- package/dist/js/schema/workflow.json +0 -984
- package/dist/js/schemas.json +1 -1
- package/dist/js/types.d.ts +221 -3125
- package/package.json +3 -3
- package/schema/core/primitive/integer_positive_single_digit.json +8 -0
- package/schema/definitions/constants.json +52 -0
- package/schema/definitions/units.json +41 -5
- package/schema/in_memory_entity/base.json +0 -6
- package/schema/in_memory_entity/has_consistency_check_has_metadata_named_defaultable.json +13 -0
- package/schema/material/consistency_check.json +22 -0
- package/schema/material.json +6 -0
- package/schema/properties_directory/non-scalar/band_structure.json +1 -1
- package/schema/properties_directory/non-scalar/phonon_dispersions.json +1 -1
- package/schema/properties_directory/structural/basis/atomic_label.json +15 -0
- package/schema/properties_directory/structural/basis.json +12 -20
- package/schema/properties_directory/structural/lattice/lattice_bravais.json +7 -10
- package/schema/properties_directory/structural/lattice/type_enum.json +3 -2
- package/schema/properties_directory/structural/lattice/type_extended_enum.json +3 -2
- package/schema/properties_directory/structural/lattice.json +1 -8
- package/schema/system/consistency_check.json +1 -5
- package/schema/system/description.json +1 -1
- package/schema/system/entity_reference.json +2 -1
- package/schema/system/has_consistency_check.json +16 -0
package/dist/js/schema/software_directory/ml/unit/processing/data_transformation/manipulation.json
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package/dist/js/schema/software_directory/ml/unit/processing/feature_selection/filter_based.json
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"items": {
|
|
650
|
-
"$schema": "http://json-schema.org/draft-07/schema#",
|
|
651
|
-
"title": "consistency check",
|
|
652
|
-
"type": "object",
|
|
653
|
-
"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.",
|
|
654
|
-
"required": [
|
|
655
|
-
"key",
|
|
656
|
-
"name",
|
|
657
|
-
"severity",
|
|
658
|
-
"message"
|
|
659
|
-
],
|
|
660
|
-
"properties": {
|
|
661
|
-
"key": {
|
|
662
|
-
"type": "string",
|
|
663
|
-
"description": "Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'"
|
|
664
|
-
},
|
|
665
|
-
"name": {
|
|
666
|
-
"enum": [
|
|
667
|
-
"default",
|
|
668
|
-
"atomsTooClose",
|
|
669
|
-
"atomsOverlap"
|
|
670
|
-
],
|
|
671
|
-
"description": "Name of the consistency check that is performed, which is listed in an enum."
|
|
672
|
-
},
|
|
673
|
-
"severity": {
|
|
674
|
-
"enum": [
|
|
675
|
-
"info",
|
|
676
|
-
"warning",
|
|
677
|
-
"error"
|
|
678
|
-
],
|
|
679
|
-
"description": "Severity level of the problem, which is used in UI to differentiate."
|
|
680
|
-
},
|
|
681
|
-
"message": {
|
|
682
|
-
"type": "string",
|
|
683
|
-
"description": "Message generated by the consistency check describing the problem."
|
|
684
|
-
}
|
|
685
|
-
}
|
|
686
|
-
}
|
|
687
|
-
},
|
|
688
524
|
"schemaVersion": {
|
|
689
525
|
"description": "entity's schema version. Used to distinct between different schemas.",
|
|
690
526
|
"type": "string",
|