@mat3ra/esse 2024.3.22-0 → 2024.3.25-1

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 (564) hide show
  1. package/{build_schemas.js → build_schemas.ts} +3 -2
  2. package/dist/js/utils/ajv.js +4 -0
  3. package/package.json +26 -29
  4. package/schema/system/timestampable.json +2 -16
  5. package/src/js/utils/ajv.ts +5 -1
  6. package/tsconfig-transpile.json +3 -0
  7. package/tsconfig.json +1 -5
  8. package/dist/js/example/3pse/db/nist_jarvis/2024.3.13/db_entry.json +0 -91
  9. package/dist/js/example/3pse/file/applications/espresso/7.2/pw.x.json +0 -94
  10. package/dist/js/example/core/abstract/2d_data.json +0 -19
  11. package/dist/js/example/core/abstract/2d_plot.json +0 -26
  12. package/dist/js/example/core/abstract/3d_grid.json +0 -12
  13. package/dist/js/example/core/abstract/3d_tensor.json +0 -17
  14. package/dist/js/example/core/abstract/3d_vector_basis.json +0 -17
  15. package/dist/js/example/core/abstract/point.json +0 -5
  16. package/dist/js/example/core/abstract/vector.json +0 -5
  17. package/dist/js/example/core/primitive/1d_data_series.json +0 -12
  18. package/dist/js/example/core/primitive/3d_lattice.json +0 -8
  19. package/dist/js/example/core/primitive/array_of_3_booleans.json +0 -5
  20. package/dist/js/example/core/primitive/array_of_3_numbers.json +0 -5
  21. package/dist/js/example/core/primitive/array_of_ids.json +0 -8
  22. package/dist/js/example/core/primitive/axis.json +0 -4
  23. package/dist/js/example/core/primitive/scalar.json +0 -3
  24. package/dist/js/example/core/primitive/string.json +0 -3
  25. package/dist/js/example/core/reference/experiment/condition.json +0 -12
  26. package/dist/js/example/core/reference/experiment/location.json +0 -4
  27. package/dist/js/example/core/reference/experiment.json +0 -38
  28. package/dist/js/example/core/reference/literature/name.json +0 -5
  29. package/dist/js/example/core/reference/literature/pages.json +0 -4
  30. package/dist/js/example/core/reference/literature.json +0 -10
  31. package/dist/js/example/core/reference/modeling/exabyte.json +0 -9
  32. package/dist/js/example/core/reference/modeling.json +0 -9
  33. package/dist/js/example/core/reference.json +0 -9
  34. package/dist/js/example/core/reusable/atomic_vectors.json +0 -18
  35. package/dist/js/example/core/reusable/band_gap.json +0 -16
  36. package/dist/js/example/core/reusable/energy.json +0 -5
  37. package/dist/js/example/core/reusable/file_metadata.json +0 -5
  38. package/dist/js/example/core/reusable/object_storage_container_data.json +0 -8
  39. package/dist/js/example/element.json +0 -17
  40. package/dist/js/example/job/compute.json +0 -26
  41. package/dist/js/example/job.json +0 -183
  42. package/dist/js/example/material.json +0 -128
  43. package/dist/js/example/method/categorized_method.json +0 -47
  44. package/dist/js/example/method/method_parameters.json +0 -3
  45. package/dist/js/example/method.json +0 -7
  46. package/dist/js/example/methods_directory/legacy/localorbital.json +0 -4
  47. package/dist/js/example/methods_directory/legacy/pseudopotential.json +0 -4
  48. package/dist/js/example/methods_directory/legacy/regression.json +0 -61
  49. package/dist/js/example/methods_directory/legacy/unknown.json +0 -4
  50. package/dist/js/example/methods_directory/mathematical/cg.json +0 -10
  51. package/dist/js/example/methods_directory/mathematical/regression.json +0 -65
  52. package/dist/js/example/methods_directory/physical/ao/dunning.json +0 -13
  53. package/dist/js/example/methods_directory/physical/psp/file.json +0 -54
  54. package/dist/js/example/methods_directory/physical/psp.json +0 -67
  55. package/dist/js/example/methods_directory/physical/pw.json +0 -9
  56. package/dist/js/example/methods_directory/physical/smearing.json +0 -10
  57. package/dist/js/example/methods_directory/physical/tetrahedron.json +0 -10
  58. package/dist/js/example/model/categorized_model.json +0 -77
  59. package/dist/js/example/model/model_parameters.json +0 -7
  60. package/dist/js/example/model.json +0 -11
  61. package/dist/js/example/models_category/pb/qm/abin/gw.json +0 -7
  62. package/dist/js/example/models_category/pb/qm/dft/ksdft.json +0 -6
  63. package/dist/js/example/models_category/pb/qm/semp.json +0 -5
  64. package/dist/js/example/models_directory/gga.json +0 -15
  65. package/dist/js/example/models_directory/gw.json +0 -15
  66. package/dist/js/example/models_directory/hybrid.json +0 -15
  67. package/dist/js/example/models_directory/lda.json +0 -15
  68. package/dist/js/example/models_directory/legacy/dft.json +0 -12
  69. package/dist/js/example/models_directory/legacy/ml.json +0 -11
  70. package/dist/js/example/models_directory/legacy/unknown.json +0 -11
  71. package/dist/js/example/models_directory/re.json +0 -10
  72. package/dist/js/example/project.json +0 -25
  73. package/dist/js/example/properties_directory/electronic_configuration.json +0 -4
  74. package/dist/js/example/properties_directory/elemental/atomic_radius.json +0 -4
  75. package/dist/js/example/properties_directory/elemental/electronegativity.json +0 -4
  76. package/dist/js/example/properties_directory/elemental/ionization_potential.json +0 -4
  77. package/dist/js/example/properties_directory/non_scalar/band_gaps.json +0 -25
  78. package/dist/js/example/properties_directory/non_scalar/band_structure.json +0 -47
  79. package/dist/js/example/properties_directory/non_scalar/charge_density_profile.json +0 -22
  80. package/dist/js/example/properties_directory/non_scalar/density_of_states.json +0 -55
  81. package/dist/js/example/properties_directory/non_scalar/dielectric_tensor.json +0 -133
  82. package/dist/js/example/properties_directory/non_scalar/file_content.json +0 -13
  83. package/dist/js/example/properties_directory/non_scalar/hubbard_u.json +0 -24
  84. package/dist/js/example/properties_directory/non_scalar/hubbard_v.json +0 -22
  85. package/dist/js/example/properties_directory/non_scalar/hubbard_v_nn.json +0 -24
  86. package/dist/js/example/properties_directory/non_scalar/phonon_dispersions.json +0 -41
  87. package/dist/js/example/properties_directory/non_scalar/phonon_dos.json +0 -37
  88. package/dist/js/example/properties_directory/non_scalar/potential_profile.json +0 -32
  89. package/dist/js/example/properties_directory/non_scalar/reaction_energy_profile.json +0 -30
  90. package/dist/js/example/properties_directory/non_scalar/stress_tensor.json +0 -21
  91. package/dist/js/example/properties_directory/non_scalar/total_energy_contributions.json +0 -44
  92. package/dist/js/example/properties_directory/non_scalar/vibrational_spectrum.json +0 -25
  93. package/dist/js/example/properties_directory/scalar/electron_affinity.json +0 -5
  94. package/dist/js/example/properties_directory/scalar/fermi_energy.json +0 -5
  95. package/dist/js/example/properties_directory/scalar/formation_energy.json +0 -5
  96. package/dist/js/example/properties_directory/scalar/ionization_potential.json +0 -5
  97. package/dist/js/example/properties_directory/scalar/pressure.json +0 -5
  98. package/dist/js/example/properties_directory/scalar/reaction_energy_barrier.json +0 -5
  99. package/dist/js/example/properties_directory/scalar/surface_energy.json +0 -5
  100. package/dist/js/example/properties_directory/scalar/total_energy.json +0 -5
  101. package/dist/js/example/properties_directory/scalar/total_force.json +0 -5
  102. package/dist/js/example/properties_directory/scalar/valence_band_offset.json +0 -5
  103. package/dist/js/example/properties_directory/scalar/zero_point_energy.json +0 -5
  104. package/dist/js/example/properties_directory/structural/atomic_forces.json +0 -22
  105. package/dist/js/example/properties_directory/structural/basis/atomic_constraints.json +0 -21
  106. package/dist/js/example/properties_directory/structural/basis/atomic_coordinate.json +0 -8
  107. package/dist/js/example/properties_directory/structural/basis/atomic_coordinates.json +0 -21
  108. package/dist/js/example/properties_directory/structural/basis/atomic_element.json +0 -4
  109. package/dist/js/example/properties_directory/structural/basis/bonds.json +0 -24
  110. package/dist/js/example/properties_directory/structural/basis.json +0 -46
  111. package/dist/js/example/properties_directory/structural/density.json +0 -5
  112. package/dist/js/example/properties_directory/structural/elemental_ratio.json +0 -5
  113. package/dist/js/example/properties_directory/structural/inchi.json +0 -4
  114. package/dist/js/example/properties_directory/structural/inchi_key.json +0 -4
  115. package/dist/js/example/properties_directory/structural/lattice/lattice_bravais.json +0 -13
  116. package/dist/js/example/properties_directory/structural/lattice/lattice_vectors.json +0 -19
  117. package/dist/js/example/properties_directory/structural/lattice.json +0 -33
  118. package/dist/js/example/properties_directory/structural/magnetic_moments.json +0 -22
  119. package/dist/js/example/properties_directory/structural/molecular_pattern.json +0 -71
  120. package/dist/js/example/properties_directory/structural/p_norm.json +0 -5
  121. package/dist/js/example/properties_directory/structural/symmetry.json +0 -9
  122. package/dist/js/example/properties_directory/structural/volume.json +0 -5
  123. package/dist/js/example/properties_directory/workflow/convergence/electronic.json +0 -15
  124. package/dist/js/example/properties_directory/workflow/convergence/ionic.json +0 -20
  125. package/dist/js/example/properties_directory/workflow/convergence/kpoint.json +0 -22
  126. package/dist/js/example/property/base.json +0 -31
  127. package/dist/js/example/software/application.json +0 -7
  128. package/dist/js/example/software/executable.json +0 -20
  129. package/dist/js/example/software/flavor.json +0 -9
  130. package/dist/js/example/software/template.json +0 -14
  131. package/dist/js/example/software_directory/ml/exabyteml.json +0 -6
  132. package/dist/js/example/software_directory/ml/unit/execution/evaluate/cross_validate.json +0 -20
  133. package/dist/js/example/software_directory/ml/unit/execution/initialize.json +0 -23
  134. package/dist/js/example/software_directory/ml/unit/execution/score.json +0 -18
  135. package/dist/js/example/software_directory/ml/unit/execution/train.json +0 -29
  136. package/dist/js/example/software_directory/ml/unit/processing/data_transformation/manipulation.json +0 -14
  137. package/dist/js/example/software_directory/ml/unit/processing/data_transformation/scale_and_reduce.json +0 -26
  138. package/dist/js/example/software_directory/ml/unit/processing/feature_selection/filter_based.json +0 -13
  139. package/dist/js/example/software_directory/modeling/espresso/arguments.json +0 -5
  140. package/dist/js/example/software_directory/modeling/espresso.json +0 -6
  141. package/dist/js/example/software_directory/modeling/nwchem.json +0 -6
  142. package/dist/js/example/software_directory/modeling/unit/execution.json +0 -19
  143. package/dist/js/example/software_directory/modeling/vasp.json +0 -6
  144. package/dist/js/example/software_directory/scripting/jupyter_lab.json +0 -8
  145. package/dist/js/example/software_directory/scripting/python.json +0 -8
  146. package/dist/js/example/software_directory/scripting/shell.json +0 -8
  147. package/dist/js/example/software_directory/scripting/unit/execution.json +0 -22
  148. package/dist/js/example/system/_material.json +0 -5
  149. package/dist/js/example/system/_parent_job.json +0 -5
  150. package/dist/js/example/system/_project.json +0 -5
  151. package/dist/js/example/system/consistency_check.json +0 -6
  152. package/dist/js/example/system/creator.json +0 -5
  153. package/dist/js/example/system/entity_reference.json +0 -5
  154. package/dist/js/example/system/file_source.json +0 -6
  155. package/dist/js/example/system/iframe_message.json +0 -9
  156. package/dist/js/example/system/message.json +0 -16
  157. package/dist/js/example/system/owner.json +0 -5
  158. package/dist/js/example/workflow/subworkflow.json +0 -93
  159. package/dist/js/example/workflow/unit/assignment.json +0 -19
  160. package/dist/js/example/workflow/unit/condition.json +0 -22
  161. package/dist/js/example/workflow/unit/execution.json +0 -66
  162. package/dist/js/example/workflow/unit/input/_inputItemScope.json +0 -4
  163. package/dist/js/example/workflow/unit/io/api.json +0 -31
  164. package/dist/js/example/workflow/unit/io/db.json +0 -15
  165. package/dist/js/example/workflow/unit/io/object_storage.json +0 -12
  166. package/dist/js/example/workflow/unit/io.json +0 -41
  167. package/dist/js/example/workflow/unit/map.json +0 -16
  168. package/dist/js/example/workflow/unit/processing.json +0 -13
  169. package/dist/js/example/workflow/unit/reduce.json +0 -16
  170. package/dist/js/example/workflow/unit/runtime/runtime_items.json +0 -14
  171. package/dist/js/example/workflow.json +0 -129
  172. package/dist/js/schema/3pse/db/nist_jarvis/2024.3.13/atoms.json +0 -79
  173. package/dist/js/schema/3pse/db/nist_jarvis/2024.3.13/db_entry.json +0 -91
  174. package/dist/js/schema/3pse/file/applications/espresso/7.2/pw.x/atomic_positions.json +0 -72
  175. package/dist/js/schema/3pse/file/applications/espresso/7.2/pw.x/atomic_species.json +0 -30
  176. package/dist/js/schema/3pse/file/applications/espresso/7.2/pw.x/cell.json +0 -89
  177. package/dist/js/schema/3pse/file/applications/espresso/7.2/pw.x/cell_parameters.json +0 -54
  178. package/dist/js/schema/3pse/file/applications/espresso/7.2/pw.x/control.json +0 -181
  179. package/dist/js/schema/3pse/file/applications/espresso/7.2/pw.x/electrons.json +0 -163
  180. package/dist/js/schema/3pse/file/applications/espresso/7.2/pw.x/hubbard.json +0 -219
  181. package/dist/js/schema/3pse/file/applications/espresso/7.2/pw.x/ions.json +0 -216
  182. package/dist/js/schema/3pse/file/applications/espresso/7.2/pw.x/k_points.json +0 -87
  183. package/dist/js/schema/3pse/file/applications/espresso/7.2/pw.x/system.json +0 -652
  184. package/dist/js/schema/3pse/file/applications/espresso/7.2/pw.x.json +0 -1776
  185. package/dist/js/schema/core/abstract/2d_data.json +0 -31
  186. package/dist/js/schema/core/abstract/2d_plot.json +0 -74
  187. package/dist/js/schema/core/abstract/3d_grid.json +0 -32
  188. package/dist/js/schema/core/abstract/3d_tensor.json +0 -18
  189. package/dist/js/schema/core/abstract/3d_vector_basis.json +0 -43
  190. package/dist/js/schema/core/abstract/point.json +0 -11
  191. package/dist/js/schema/core/abstract/vector.json +0 -27
  192. package/dist/js/schema/core/primitive/1d_data_series.json +0 -16
  193. package/dist/js/schema/core/primitive/3d_lattice.json +0 -40
  194. package/dist/js/schema/core/primitive/array_of_3_booleans.json +0 -11
  195. package/dist/js/schema/core/primitive/array_of_3_numbers.json +0 -11
  196. package/dist/js/schema/core/primitive/array_of_ids.json +0 -16
  197. package/dist/js/schema/core/primitive/array_of_strings.json +0 -11
  198. package/dist/js/schema/core/primitive/axis.json +0 -19
  199. package/dist/js/schema/core/primitive/group_info.json +0 -16
  200. package/dist/js/schema/core/primitive/integer_one_or_zero.json +0 -8
  201. package/dist/js/schema/core/primitive/linked_list/base_node.json +0 -36
  202. package/dist/js/schema/core/primitive/linked_list/named_node.json +0 -40
  203. package/dist/js/schema/core/primitive/linked_list/named_node_in_group.json +0 -48
  204. package/dist/js/schema/core/primitive/linked_list/node_with_type.json +0 -39
  205. package/dist/js/schema/core/primitive/linked_list.json +0 -171
  206. package/dist/js/schema/core/primitive/scalar.json +0 -14
  207. package/dist/js/schema/core/primitive/slugified_entry.json +0 -21
  208. package/dist/js/schema/core/primitive/slugified_entry_or_slug.json +0 -31
  209. package/dist/js/schema/core/primitive/string.json +0 -14
  210. package/dist/js/schema/core/reference/exabyte.json +0 -19
  211. package/dist/js/schema/core/reference/experiment/condition.json +0 -31
  212. package/dist/js/schema/core/reference/experiment/location.json +0 -20
  213. package/dist/js/schema/core/reference/experiment.json +0 -249
  214. package/dist/js/schema/core/reference/literature/name.json +0 -24
  215. package/dist/js/schema/core/reference/literature/pages.json +0 -17
  216. package/dist/js/schema/core/reference/literature.json +0 -131
  217. package/dist/js/schema/core/reference/modeling/exabyte.json +0 -46
  218. package/dist/js/schema/core/reference/modeling.json +0 -52
  219. package/dist/js/schema/core/reference.json +0 -436
  220. package/dist/js/schema/core/reusable/atomic_data/per_orbital.json +0 -22
  221. package/dist/js/schema/core/reusable/atomic_data/per_orbital_pair.json +0 -39
  222. package/dist/js/schema/core/reusable/atomic_data/value_number.json +0 -13
  223. package/dist/js/schema/core/reusable/atomic_data/value_string.json +0 -13
  224. package/dist/js/schema/core/reusable/atomic_data_per_orbital_numeric.json +0 -26
  225. package/dist/js/schema/core/reusable/atomic_data_per_orbital_pair_numeric.json +0 -43
  226. package/dist/js/schema/core/reusable/atomic_orbital.json +0 -32
  227. package/dist/js/schema/core/reusable/atomic_scalars.json +0 -29
  228. package/dist/js/schema/core/reusable/atomic_strings.json +0 -19
  229. package/dist/js/schema/core/reusable/atomic_vectors.json +0 -42
  230. package/dist/js/schema/core/reusable/band_gap.json +0 -64
  231. package/dist/js/schema/core/reusable/categories.json +0 -159
  232. package/dist/js/schema/core/reusable/category_path.json +0 -7
  233. package/dist/js/schema/core/reusable/dielectric_tensor_component.json +0 -46
  234. package/dist/js/schema/core/reusable/energy.json +0 -39
  235. package/dist/js/schema/core/reusable/file_metadata.json +0 -21
  236. package/dist/js/schema/core/reusable/frequency_function_matrix.json +0 -30
  237. package/dist/js/schema/core/reusable/object_storage_container_data.json +0 -32
  238. package/dist/js/schema/definitions/units.json +0 -103
  239. package/dist/js/schema/element.json +0 -103
  240. package/dist/js/schema/in_memory_entity/base.json +0 -65
  241. package/dist/js/schema/in_memory_entity/defaultable.json +0 -70
  242. package/dist/js/schema/in_memory_entity/named.json +0 -69
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  247. package/dist/js/schema/job/compute.json +0 -178
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  249. package/dist/js/schema/material/conventional.json +0 -11
  250. package/dist/js/schema/material.json +0 -645
  251. package/dist/js/schema/method/categorized_method.json +0 -221
  252. package/dist/js/schema/method/method_parameters.json +0 -47
  253. package/dist/js/schema/method/unit_method.json +0 -191
  254. package/dist/js/schema/method.json +0 -28
  255. package/dist/js/schema/methods_category/mathematical/diff/enum_options.json +0 -8
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  258. package/dist/js/schema/methods_category/mathematical/discr/enum_options.json +0 -8
  259. package/dist/js/schema/methods_category/mathematical/discr/mesh/enum_options.json +0 -18
  260. package/dist/js/schema/methods_category/mathematical/discr/mesh/hybrid.json +0 -168
  261. package/dist/js/schema/methods_category/mathematical/discr/mesh/nstruct.json +0 -168
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  263. package/dist/js/schema/methods_category/mathematical/discr/mesh/struct/enum_options.json +0 -8
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  267. package/dist/js/schema/methods_category/mathematical/enum_options.json +0 -45
  268. package/dist/js/schema/methods_category/mathematical/fapprx/basisexp.json +0 -165
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  276. package/dist/js/schema/methods_category/mathematical/intgr/analytic/enum_options.json +0 -20
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  279. package/dist/js/schema/methods_category/mathematical/intgr/diffeq/enum_options.json +0 -13
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  563. package/dist/js/schemas.json +0 -1
  564. package/modules.d.ts +0 -5
@@ -1,646 +0,0 @@
1
- {
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- "$id": "software-directory/ml/unit/processing",
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- "oneOf": [
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- {
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- "oneOf": [
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- {
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- "$schema": "http://json-schema.org/draft-07/schema#",
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- "title": "scale and reduce unit schema",
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- "type": "object",
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- "required": [
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- "flowchartId",
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- "inputData",
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- "operation",
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- "operationType",
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- "type"
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- ],
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- "additionalProperties": true,
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- "properties": {
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- "operation": {
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- "type": "string",
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- "enum": [
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- "data_transformation"
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- ],
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- "description": "Contains information about the operation used."
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- },
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- "operationType": {
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- "type": "string",
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- "enum": [
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- "scale_and_reduce"
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- ],
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- "description": "Contains information about the specific type of the operation used."
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- },
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- "inputData": {
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- "type": "object",
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- "required": [
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- "scaler"
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- ],
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- "description": "unit input (type to be specified by the child units)",
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- "properties": {
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- "scaler": {
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- "description": "type of scaler to be applied",
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- "type": "string",
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- "default": "standard_scaler",
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- "enum": [
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- "standard_scaler"
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- ]
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- },
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- "perFeature": {
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- "description": "per-feature scaling data",
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- "type": "array",
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- "items": {
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- "type": "object",
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- "required": [
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- "name",
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- "scale"
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- ],
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- "properties": {
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- "variance": {
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- "description": "variance in original training data",
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- "type": "number"
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- },
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- "mean": {
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- "description": "mean value of the original training data",
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- "type": "number"
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- },
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- "scale": {
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- "description": "scale multiplier for this feature/property",
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- "type": "number"
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- },
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- "name": {
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- "description": "feature/property name in 'flattened' format",
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- "type": "string"
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- }
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- }
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- }
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- }
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- }
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- },
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- "type": {
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- "enum": [
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- "processing"
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- ],
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- "description": "type of the unit",
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- "type": "string"
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- },
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- "_id": {
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- "type": "string",
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- "description": "entity identity"
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- },
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- "isDraft": {
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- "type": "boolean"
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- },
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- "name": {
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- "description": "name of the unit. e.g. pw_scf",
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- "type": "string"
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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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- "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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- },
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- "flowchartId": {
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- "description": "Identity of the unit in the workflow. Used to trace the execution flow of the workflow.",
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- "type": "string"
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- },
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- "next": {
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- "description": "Next unit's flowchartId. If empty, the current unit is the last.",
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- "type": "string"
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- },
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- "enableRender": {
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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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- "context": {
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- "type": "object"
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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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- "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",
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- "default": "2022.8.16"
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- },
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- "isDefault": {
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- "description": "Identifies that entity is defaultable",
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- "type": "boolean",
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- "default": false
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- },
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- "preProcessors": {
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- "description": "names of the pre-processors for this calculation",
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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": "runtime item schema",
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- "oneOf": [
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- {
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- "$schema": "http://json-schema.org/draft-07/schema#",
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- "title": "name result schema",
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- "type": "object",
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- "properties": {
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- "name": {
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- "description": "The name of this item. e.g. scf_accuracy",
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- "type": "string"
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- }
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- },
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- "required": [
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- "name"
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- ]
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- },
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- {
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- "$schema": "http://json-schema.org/draft-07/schema#",
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- "title": "RuntimeItemString",
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- "description": "name of runtime item in shortened notation",
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- "type": "string"
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- }
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- ]
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- }
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- },
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- "postProcessors": {
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- "description": "names of the post-processors for this calculation",
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- "type": "array",
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- "items": {
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- "$schema": "http://json-schema.org/draft-07/schema#",
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- "title": "runtime item schema",
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- "oneOf": [
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- {
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- "$schema": "http://json-schema.org/draft-07/schema#",
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- "title": "name result schema",
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- "type": "object",
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- "properties": {
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- "name": {
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- "description": "The name of this item. e.g. scf_accuracy",
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- "type": "string"
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- }
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- },
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- "required": [
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- "name"
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- ]
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- },
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- {
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- "$schema": "http://json-schema.org/draft-07/schema#",
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- "title": "RuntimeItemString",
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- "description": "name of runtime item in shortened notation",
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- "type": "string"
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- }
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- ]
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- }
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- },
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- "monitors": {
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- "description": "names of the monitors for this calculation",
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- "type": "array",
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- "items": {
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- "$schema": "http://json-schema.org/draft-07/schema#",
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- "title": "runtime item schema",
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- "oneOf": [
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- {
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- "$schema": "http://json-schema.org/draft-07/schema#",
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- "title": "name result schema",
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- "type": "object",
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- "properties": {
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- "name": {
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- "description": "The name of this item. e.g. scf_accuracy",
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- "type": "string"
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- }
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- },
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- "required": [
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- "name"
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- ]
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- },
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- {
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- "$schema": "http://json-schema.org/draft-07/schema#",
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- "title": "RuntimeItemString",
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- "description": "name of runtime item in shortened notation",
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- "type": "string"
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- }
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- ]
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- }
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- },
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- "results": {
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- "description": "names of the results for this calculation",
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- "type": "array",
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- "items": {
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- "$schema": "http://json-schema.org/draft-07/schema#",
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- "title": "runtime item schema",
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- "oneOf": [
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- {
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- "$schema": "http://json-schema.org/draft-07/schema#",
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- "title": "name result schema",
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- "type": "object",
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- "properties": {
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- "name": {
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- "description": "The name of this item. e.g. scf_accuracy",
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- "type": "string"
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- }
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- },
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- "required": [
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- "name"
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- ]
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- },
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- {
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- "$schema": "http://json-schema.org/draft-07/schema#",
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- "title": "RuntimeItemString",
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- "description": "name of runtime item in shortened notation",
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- "type": "string"
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- }
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- ]
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- }
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- },
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- "tags": {
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- "description": "entity tags",
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- "type": "array",
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- "items": {
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- "type": "string"
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- }
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- },
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- "statusTrack": {
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- "type": "array",
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- "items": {
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- "type": "object",
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- "required": [
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- "trackedAt",
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- "status"
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- ],
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- "properties": {
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- "trackedAt": {
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- "type": "number"
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- },
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- "status": {
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- "type": "string"
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- },
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- "repetition": {
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- "type": "number"
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- }
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- }
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- }
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- }
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- }
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- }
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- ]
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- },
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- {
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- "oneOf": [
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- {
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- "$schema": "http://json-schema.org/draft-07/schema#",
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- "title": "filter-based feature selection unit schema",
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- "type": "object",
343
- "required": [
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- "flowchartId",
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- "inputData",
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- "operation",
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- "operationType",
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- "type"
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- ],
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- "additionalProperties": true,
351
- "properties": {
352
- "operation": {
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- "type": "string",
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- "enum": [
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- "feature_selection"
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- ],
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- "description": "Contains information about the operation used."
358
- },
359
- "operationType": {
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- "type": "string",
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- "enum": [
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- "filter_based"
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- ],
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- "description": "Contains information about the specific type of the operation used."
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- },
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- "inputData": {
367
- "type": "object",
368
- "required": [
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- "nFeatures",
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- "algorithm"
371
- ],
372
- "description": "unit input (type to be specified by the child units)",
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- "properties": {
374
- "nFeatures": {
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- "description": "number of features to select for model training. If equal to 0, will use all available features",
376
- "type": "number"
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- },
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- "algorithm": {
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- "description": "feature selection algorithm following sklearn.feature_selection",
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- "type": "string",
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- "enum": [
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- "f_regression"
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- ]
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- }
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- }
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- },
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- "type": {
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- "enum": [
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- "processing"
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- ],
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- "description": "type of the unit",
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- "type": "string"
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- },
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- "_id": {
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- "type": "string",
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- "description": "entity identity"
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- },
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- "isDraft": {
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- "type": "boolean"
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- },
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- "name": {
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- "description": "name of the unit. e.g. pw_scf",
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- "type": "string"
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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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- "head": {
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- "description": "Whether this unit is the first one to be executed.",
418
- "type": "boolean"
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- },
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- "flowchartId": {
421
- "description": "Identity of the unit in the workflow. Used to trace the execution flow of the workflow.",
422
- "type": "string"
423
- },
424
- "next": {
425
- "description": "Next unit's flowchartId. If empty, the current unit is the last.",
426
- "type": "string"
427
- },
428
- "enableRender": {
429
- "description": "Whether Rupy should attempt to use Jinja templating to add context variables into the unit",
430
- "type": "boolean"
431
- },
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- "context": {
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- "type": "object"
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- },
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- "slug": {
436
- "description": "entity slug",
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- "type": "string"
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- },
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- "systemName": {
440
- "type": "string"
441
- },
442
- "consistencyChecks": {
443
- "type": "array",
444
- "items": {
445
- "$schema": "http://json-schema.org/draft-07/schema#",
446
- "title": "consistency check",
447
- "type": "object",
448
- "description": "The output of consistency checks performed on data adhering to JSON schema, but inconsistent with scientific or logical rules, to show problems in UI.",
449
- "required": [
450
- "key",
451
- "name",
452
- "severity",
453
- "message"
454
- ],
455
- "properties": {
456
- "key": {
457
- "type": "string",
458
- "description": "Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'"
459
- },
460
- "name": {
461
- "enum": [
462
- "default",
463
- "atomsTooClose",
464
- "atomsOverlap"
465
- ],
466
- "description": "Name of the consistency check that is performed, which is listed in an enum."
467
- },
468
- "severity": {
469
- "enum": [
470
- "info",
471
- "warning",
472
- "error"
473
- ],
474
- "description": "Severity level of the problem, which is used in UI to differentiate."
475
- },
476
- "message": {
477
- "type": "string",
478
- "description": "Message generated by the consistency check describing the problem."
479
- }
480
- }
481
- }
482
- },
483
- "schemaVersion": {
484
- "description": "entity's schema version. Used to distinct between different schemas.",
485
- "type": "string",
486
- "default": "2022.8.16"
487
- },
488
- "isDefault": {
489
- "description": "Identifies that entity is defaultable",
490
- "type": "boolean",
491
- "default": false
492
- },
493
- "preProcessors": {
494
- "description": "names of the pre-processors for this calculation",
495
- "type": "array",
496
- "items": {
497
- "$schema": "http://json-schema.org/draft-07/schema#",
498
- "title": "runtime item schema",
499
- "oneOf": [
500
- {
501
- "$schema": "http://json-schema.org/draft-07/schema#",
502
- "title": "name result schema",
503
- "type": "object",
504
- "properties": {
505
- "name": {
506
- "description": "The name of this item. e.g. scf_accuracy",
507
- "type": "string"
508
- }
509
- },
510
- "required": [
511
- "name"
512
- ]
513
- },
514
- {
515
- "$schema": "http://json-schema.org/draft-07/schema#",
516
- "title": "RuntimeItemString",
517
- "description": "name of runtime item in shortened notation",
518
- "type": "string"
519
- }
520
- ]
521
- }
522
- },
523
- "postProcessors": {
524
- "description": "names of the post-processors for this calculation",
525
- "type": "array",
526
- "items": {
527
- "$schema": "http://json-schema.org/draft-07/schema#",
528
- "title": "runtime item schema",
529
- "oneOf": [
530
- {
531
- "$schema": "http://json-schema.org/draft-07/schema#",
532
- "title": "name result schema",
533
- "type": "object",
534
- "properties": {
535
- "name": {
536
- "description": "The name of this item. e.g. scf_accuracy",
537
- "type": "string"
538
- }
539
- },
540
- "required": [
541
- "name"
542
- ]
543
- },
544
- {
545
- "$schema": "http://json-schema.org/draft-07/schema#",
546
- "title": "RuntimeItemString",
547
- "description": "name of runtime item in shortened notation",
548
- "type": "string"
549
- }
550
- ]
551
- }
552
- },
553
- "monitors": {
554
- "description": "names of the monitors for this calculation",
555
- "type": "array",
556
- "items": {
557
- "$schema": "http://json-schema.org/draft-07/schema#",
558
- "title": "runtime item schema",
559
- "oneOf": [
560
- {
561
- "$schema": "http://json-schema.org/draft-07/schema#",
562
- "title": "name result schema",
563
- "type": "object",
564
- "properties": {
565
- "name": {
566
- "description": "The name of this item. e.g. scf_accuracy",
567
- "type": "string"
568
- }
569
- },
570
- "required": [
571
- "name"
572
- ]
573
- },
574
- {
575
- "$schema": "http://json-schema.org/draft-07/schema#",
576
- "title": "RuntimeItemString",
577
- "description": "name of runtime item in shortened notation",
578
- "type": "string"
579
- }
580
- ]
581
- }
582
- },
583
- "results": {
584
- "description": "names of the results for this calculation",
585
- "type": "array",
586
- "items": {
587
- "$schema": "http://json-schema.org/draft-07/schema#",
588
- "title": "runtime item schema",
589
- "oneOf": [
590
- {
591
- "$schema": "http://json-schema.org/draft-07/schema#",
592
- "title": "name result schema",
593
- "type": "object",
594
- "properties": {
595
- "name": {
596
- "description": "The name of this item. e.g. scf_accuracy",
597
- "type": "string"
598
- }
599
- },
600
- "required": [
601
- "name"
602
- ]
603
- },
604
- {
605
- "$schema": "http://json-schema.org/draft-07/schema#",
606
- "title": "RuntimeItemString",
607
- "description": "name of runtime item in shortened notation",
608
- "type": "string"
609
- }
610
- ]
611
- }
612
- },
613
- "tags": {
614
- "description": "entity tags",
615
- "type": "array",
616
- "items": {
617
- "type": "string"
618
- }
619
- },
620
- "statusTrack": {
621
- "type": "array",
622
- "items": {
623
- "type": "object",
624
- "required": [
625
- "trackedAt",
626
- "status"
627
- ],
628
- "properties": {
629
- "trackedAt": {
630
- "type": "number"
631
- },
632
- "status": {
633
- "type": "string"
634
- },
635
- "repetition": {
636
- "type": "number"
637
- }
638
- }
639
- }
640
- }
641
- }
642
- }
643
- ]
644
- }
645
- ]
646
- }