@mat3ra/esse 2024.3.20-0 → 2024.3.25-0

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (596) hide show
  1. package/.eslintrc.json +1 -1
  2. package/{build_schemas.js → build_schemas.ts} +3 -2
  3. package/compile_ts.ts +1 -1
  4. package/{lib → dist}/js/esse/utils.js +1 -0
  5. package/{lib → dist}/js/utils/ajv.js +4 -0
  6. package/package.json +31 -25
  7. package/schema/system/timestampable.json +2 -16
  8. package/src/js/esse/utils.ts +1 -0
  9. package/src/js/utils/ajv.ts +5 -1
  10. package/tsconfig-transpile.json +3 -0
  11. package/tsconfig.json +1 -32
  12. package/lib/js/example/3pse/db/nist_jarvis/2024.3.13/db_entry.json +0 -91
  13. package/lib/js/example/3pse/file/applications/espresso/7.2/pw.x.json +0 -94
  14. package/lib/js/example/core/abstract/2d_data.json +0 -19
  15. package/lib/js/example/core/abstract/2d_plot.json +0 -26
  16. package/lib/js/example/core/abstract/3d_grid.json +0 -12
  17. package/lib/js/example/core/abstract/3d_tensor.json +0 -17
  18. package/lib/js/example/core/abstract/3d_vector_basis.json +0 -17
  19. package/lib/js/example/core/abstract/point.json +0 -5
  20. package/lib/js/example/core/abstract/vector.json +0 -5
  21. package/lib/js/example/core/primitive/1d_data_series.json +0 -12
  22. package/lib/js/example/core/primitive/3d_lattice.json +0 -8
  23. package/lib/js/example/core/primitive/array_of_3_booleans.json +0 -5
  24. package/lib/js/example/core/primitive/array_of_3_numbers.json +0 -5
  25. package/lib/js/example/core/primitive/array_of_ids.json +0 -8
  26. package/lib/js/example/core/primitive/axis.json +0 -4
  27. package/lib/js/example/core/primitive/scalar.json +0 -3
  28. package/lib/js/example/core/primitive/string.json +0 -3
  29. package/lib/js/example/core/reference/experiment/condition.json +0 -12
  30. package/lib/js/example/core/reference/experiment/location.json +0 -4
  31. package/lib/js/example/core/reference/experiment.json +0 -38
  32. package/lib/js/example/core/reference/literature/name.json +0 -5
  33. package/lib/js/example/core/reference/literature/pages.json +0 -4
  34. package/lib/js/example/core/reference/literature.json +0 -10
  35. package/lib/js/example/core/reference/modeling/exabyte.json +0 -9
  36. package/lib/js/example/core/reference/modeling.json +0 -9
  37. package/lib/js/example/core/reference.json +0 -9
  38. package/lib/js/example/core/reusable/atomic_vectors.json +0 -18
  39. package/lib/js/example/core/reusable/band_gap.json +0 -16
  40. package/lib/js/example/core/reusable/energy.json +0 -5
  41. package/lib/js/example/core/reusable/file_metadata.json +0 -5
  42. package/lib/js/example/core/reusable/object_storage_container_data.json +0 -8
  43. package/lib/js/example/element.json +0 -17
  44. package/lib/js/example/job/compute.json +0 -26
  45. package/lib/js/example/job.json +0 -183
  46. package/lib/js/example/material.json +0 -128
  47. package/lib/js/example/method/categorized_method.json +0 -47
  48. package/lib/js/example/method/method_parameters.json +0 -3
  49. package/lib/js/example/method.json +0 -7
  50. package/lib/js/example/methods_directory/legacy/localorbital.json +0 -4
  51. package/lib/js/example/methods_directory/legacy/pseudopotential.json +0 -4
  52. package/lib/js/example/methods_directory/legacy/regression.json +0 -61
  53. package/lib/js/example/methods_directory/legacy/unknown.json +0 -4
  54. package/lib/js/example/methods_directory/mathematical/cg.json +0 -10
  55. package/lib/js/example/methods_directory/mathematical/regression.json +0 -65
  56. package/lib/js/example/methods_directory/physical/ao/dunning.json +0 -13
  57. package/lib/js/example/methods_directory/physical/psp/file.json +0 -54
  58. package/lib/js/example/methods_directory/physical/psp.json +0 -67
  59. package/lib/js/example/methods_directory/physical/pw.json +0 -9
  60. package/lib/js/example/methods_directory/physical/smearing.json +0 -10
  61. package/lib/js/example/methods_directory/physical/tetrahedron.json +0 -10
  62. package/lib/js/example/model/categorized_model.json +0 -77
  63. package/lib/js/example/model/model_parameters.json +0 -7
  64. package/lib/js/example/model.json +0 -11
  65. package/lib/js/example/models_category/pb/qm/abin/gw.json +0 -7
  66. package/lib/js/example/models_category/pb/qm/dft/ksdft.json +0 -6
  67. package/lib/js/example/models_category/pb/qm/semp.json +0 -5
  68. package/lib/js/example/models_directory/gga.json +0 -15
  69. package/lib/js/example/models_directory/gw.json +0 -15
  70. package/lib/js/example/models_directory/hybrid.json +0 -15
  71. package/lib/js/example/models_directory/lda.json +0 -15
  72. package/lib/js/example/models_directory/legacy/dft.json +0 -12
  73. package/lib/js/example/models_directory/legacy/ml.json +0 -11
  74. package/lib/js/example/models_directory/legacy/unknown.json +0 -11
  75. package/lib/js/example/models_directory/re.json +0 -10
  76. package/lib/js/example/project.json +0 -25
  77. package/lib/js/example/properties_directory/electronic_configuration.json +0 -4
  78. package/lib/js/example/properties_directory/elemental/atomic_radius.json +0 -4
  79. package/lib/js/example/properties_directory/elemental/electronegativity.json +0 -4
  80. package/lib/js/example/properties_directory/elemental/ionization_potential.json +0 -4
  81. package/lib/js/example/properties_directory/non_scalar/band_gaps.json +0 -25
  82. package/lib/js/example/properties_directory/non_scalar/band_structure.json +0 -47
  83. package/lib/js/example/properties_directory/non_scalar/charge_density_profile.json +0 -22
  84. package/lib/js/example/properties_directory/non_scalar/density_of_states.json +0 -55
  85. package/lib/js/example/properties_directory/non_scalar/dielectric_tensor.json +0 -133
  86. package/lib/js/example/properties_directory/non_scalar/file_content.json +0 -13
  87. package/lib/js/example/properties_directory/non_scalar/hubbard_u.json +0 -24
  88. package/lib/js/example/properties_directory/non_scalar/hubbard_v.json +0 -22
  89. package/lib/js/example/properties_directory/non_scalar/hubbard_v_nn.json +0 -24
  90. package/lib/js/example/properties_directory/non_scalar/phonon_dispersions.json +0 -41
  91. package/lib/js/example/properties_directory/non_scalar/phonon_dos.json +0 -37
  92. package/lib/js/example/properties_directory/non_scalar/potential_profile.json +0 -32
  93. package/lib/js/example/properties_directory/non_scalar/reaction_energy_profile.json +0 -30
  94. package/lib/js/example/properties_directory/non_scalar/stress_tensor.json +0 -21
  95. package/lib/js/example/properties_directory/non_scalar/total_energy_contributions.json +0 -44
  96. package/lib/js/example/properties_directory/non_scalar/vibrational_spectrum.json +0 -25
  97. package/lib/js/example/properties_directory/scalar/electron_affinity.json +0 -5
  98. package/lib/js/example/properties_directory/scalar/fermi_energy.json +0 -5
  99. package/lib/js/example/properties_directory/scalar/formation_energy.json +0 -5
  100. package/lib/js/example/properties_directory/scalar/ionization_potential.json +0 -5
  101. package/lib/js/example/properties_directory/scalar/pressure.json +0 -5
  102. package/lib/js/example/properties_directory/scalar/reaction_energy_barrier.json +0 -5
  103. package/lib/js/example/properties_directory/scalar/surface_energy.json +0 -5
  104. package/lib/js/example/properties_directory/scalar/total_energy.json +0 -5
  105. package/lib/js/example/properties_directory/scalar/total_force.json +0 -5
  106. package/lib/js/example/properties_directory/scalar/valence_band_offset.json +0 -5
  107. package/lib/js/example/properties_directory/scalar/zero_point_energy.json +0 -5
  108. package/lib/js/example/properties_directory/structural/atomic_forces.json +0 -22
  109. package/lib/js/example/properties_directory/structural/basis/atomic_constraints.json +0 -21
  110. package/lib/js/example/properties_directory/structural/basis/atomic_coordinate.json +0 -8
  111. package/lib/js/example/properties_directory/structural/basis/atomic_coordinates.json +0 -21
  112. package/lib/js/example/properties_directory/structural/basis/atomic_element.json +0 -4
  113. package/lib/js/example/properties_directory/structural/basis/bonds.json +0 -24
  114. package/lib/js/example/properties_directory/structural/basis.json +0 -46
  115. package/lib/js/example/properties_directory/structural/density.json +0 -5
  116. package/lib/js/example/properties_directory/structural/elemental_ratio.json +0 -5
  117. package/lib/js/example/properties_directory/structural/inchi.json +0 -4
  118. package/lib/js/example/properties_directory/structural/inchi_key.json +0 -4
  119. package/lib/js/example/properties_directory/structural/lattice/lattice_bravais.json +0 -13
  120. package/lib/js/example/properties_directory/structural/lattice/lattice_vectors.json +0 -19
  121. package/lib/js/example/properties_directory/structural/lattice.json +0 -33
  122. package/lib/js/example/properties_directory/structural/magnetic_moments.json +0 -22
  123. package/lib/js/example/properties_directory/structural/molecular_pattern.json +0 -71
  124. package/lib/js/example/properties_directory/structural/p_norm.json +0 -5
  125. package/lib/js/example/properties_directory/structural/symmetry.json +0 -9
  126. package/lib/js/example/properties_directory/structural/volume.json +0 -5
  127. package/lib/js/example/properties_directory/workflow/convergence/electronic.json +0 -15
  128. package/lib/js/example/properties_directory/workflow/convergence/ionic.json +0 -20
  129. package/lib/js/example/properties_directory/workflow/convergence/kpoint.json +0 -22
  130. package/lib/js/example/property/base.json +0 -31
  131. package/lib/js/example/software/application.json +0 -7
  132. package/lib/js/example/software/executable.json +0 -20
  133. package/lib/js/example/software/flavor.json +0 -9
  134. package/lib/js/example/software/template.json +0 -14
  135. package/lib/js/example/software_directory/ml/exabyteml.json +0 -6
  136. package/lib/js/example/software_directory/ml/unit/execution/evaluate/cross_validate.json +0 -20
  137. package/lib/js/example/software_directory/ml/unit/execution/initialize.json +0 -23
  138. package/lib/js/example/software_directory/ml/unit/execution/score.json +0 -18
  139. package/lib/js/example/software_directory/ml/unit/execution/train.json +0 -29
  140. package/lib/js/example/software_directory/ml/unit/processing/data_transformation/manipulation.json +0 -14
  141. package/lib/js/example/software_directory/ml/unit/processing/data_transformation/scale_and_reduce.json +0 -26
  142. package/lib/js/example/software_directory/ml/unit/processing/feature_selection/filter_based.json +0 -13
  143. package/lib/js/example/software_directory/modeling/espresso/arguments.json +0 -5
  144. package/lib/js/example/software_directory/modeling/espresso.json +0 -6
  145. package/lib/js/example/software_directory/modeling/nwchem.json +0 -6
  146. package/lib/js/example/software_directory/modeling/unit/execution.json +0 -19
  147. package/lib/js/example/software_directory/modeling/vasp.json +0 -6
  148. package/lib/js/example/software_directory/scripting/jupyter_lab.json +0 -8
  149. package/lib/js/example/software_directory/scripting/python.json +0 -8
  150. package/lib/js/example/software_directory/scripting/shell.json +0 -8
  151. package/lib/js/example/software_directory/scripting/unit/execution.json +0 -22
  152. package/lib/js/example/system/_material.json +0 -5
  153. package/lib/js/example/system/_parent_job.json +0 -5
  154. package/lib/js/example/system/_project.json +0 -5
  155. package/lib/js/example/system/consistency_check.json +0 -6
  156. package/lib/js/example/system/creator.json +0 -5
  157. package/lib/js/example/system/entity_reference.json +0 -5
  158. package/lib/js/example/system/file_source.json +0 -6
  159. package/lib/js/example/system/iframe_message.json +0 -9
  160. package/lib/js/example/system/message.json +0 -16
  161. package/lib/js/example/system/owner.json +0 -5
  162. package/lib/js/example/workflow/subworkflow.json +0 -93
  163. package/lib/js/example/workflow/unit/assignment.json +0 -19
  164. package/lib/js/example/workflow/unit/condition.json +0 -22
  165. package/lib/js/example/workflow/unit/execution.json +0 -66
  166. package/lib/js/example/workflow/unit/input/_inputItemScope.json +0 -4
  167. package/lib/js/example/workflow/unit/io/api.json +0 -31
  168. package/lib/js/example/workflow/unit/io/db.json +0 -15
  169. package/lib/js/example/workflow/unit/io/object_storage.json +0 -12
  170. package/lib/js/example/workflow/unit/io.json +0 -41
  171. package/lib/js/example/workflow/unit/map.json +0 -16
  172. package/lib/js/example/workflow/unit/processing.json +0 -13
  173. package/lib/js/example/workflow/unit/reduce.json +0 -16
  174. package/lib/js/example/workflow/unit/runtime/runtime_items.json +0 -14
  175. package/lib/js/example/workflow.json +0 -129
  176. package/lib/js/schema/3pse/db/nist_jarvis/2024.3.13/atoms.json +0 -79
  177. package/lib/js/schema/3pse/db/nist_jarvis/2024.3.13/db_entry.json +0 -91
  178. package/lib/js/schema/3pse/file/applications/espresso/7.2/pw.x/atomic_positions.json +0 -72
  179. package/lib/js/schema/3pse/file/applications/espresso/7.2/pw.x/atomic_species.json +0 -30
  180. package/lib/js/schema/3pse/file/applications/espresso/7.2/pw.x/cell.json +0 -89
  181. package/lib/js/schema/3pse/file/applications/espresso/7.2/pw.x/cell_parameters.json +0 -54
  182. package/lib/js/schema/3pse/file/applications/espresso/7.2/pw.x/control.json +0 -181
  183. package/lib/js/schema/3pse/file/applications/espresso/7.2/pw.x/electrons.json +0 -163
  184. package/lib/js/schema/3pse/file/applications/espresso/7.2/pw.x/hubbard.json +0 -219
  185. package/lib/js/schema/3pse/file/applications/espresso/7.2/pw.x/ions.json +0 -216
  186. package/lib/js/schema/3pse/file/applications/espresso/7.2/pw.x/k_points.json +0 -87
  187. package/lib/js/schema/3pse/file/applications/espresso/7.2/pw.x/system.json +0 -652
  188. package/lib/js/schema/3pse/file/applications/espresso/7.2/pw.x.json +0 -1776
  189. package/lib/js/schema/core/abstract/2d_data.json +0 -31
  190. package/lib/js/schema/core/abstract/2d_plot.json +0 -74
  191. package/lib/js/schema/core/abstract/3d_grid.json +0 -32
  192. package/lib/js/schema/core/abstract/3d_tensor.json +0 -18
  193. package/lib/js/schema/core/abstract/3d_vector_basis.json +0 -43
  194. package/lib/js/schema/core/abstract/point.json +0 -11
  195. package/lib/js/schema/core/abstract/vector.json +0 -27
  196. package/lib/js/schema/core/primitive/1d_data_series.json +0 -16
  197. package/lib/js/schema/core/primitive/3d_lattice.json +0 -40
  198. package/lib/js/schema/core/primitive/array_of_3_booleans.json +0 -11
  199. package/lib/js/schema/core/primitive/array_of_3_numbers.json +0 -11
  200. package/lib/js/schema/core/primitive/array_of_ids.json +0 -16
  201. package/lib/js/schema/core/primitive/array_of_strings.json +0 -11
  202. package/lib/js/schema/core/primitive/axis.json +0 -19
  203. package/lib/js/schema/core/primitive/group_info.json +0 -16
  204. package/lib/js/schema/core/primitive/integer_one_or_zero.json +0 -8
  205. package/lib/js/schema/core/primitive/linked_list/base_node.json +0 -36
  206. package/lib/js/schema/core/primitive/linked_list/named_node.json +0 -40
  207. package/lib/js/schema/core/primitive/linked_list/named_node_in_group.json +0 -48
  208. package/lib/js/schema/core/primitive/linked_list/node_with_type.json +0 -39
  209. package/lib/js/schema/core/primitive/linked_list.json +0 -171
  210. package/lib/js/schema/core/primitive/scalar.json +0 -14
  211. package/lib/js/schema/core/primitive/slugified_entry.json +0 -21
  212. package/lib/js/schema/core/primitive/slugified_entry_or_slug.json +0 -31
  213. package/lib/js/schema/core/primitive/string.json +0 -14
  214. package/lib/js/schema/core/reference/exabyte.json +0 -19
  215. package/lib/js/schema/core/reference/experiment/condition.json +0 -31
  216. package/lib/js/schema/core/reference/experiment/location.json +0 -20
  217. package/lib/js/schema/core/reference/experiment.json +0 -249
  218. package/lib/js/schema/core/reference/literature/name.json +0 -24
  219. package/lib/js/schema/core/reference/literature/pages.json +0 -17
  220. package/lib/js/schema/core/reference/literature.json +0 -131
  221. package/lib/js/schema/core/reference/modeling/exabyte.json +0 -46
  222. package/lib/js/schema/core/reference/modeling.json +0 -52
  223. package/lib/js/schema/core/reference.json +0 -436
  224. package/lib/js/schema/core/reusable/atomic_data/per_orbital.json +0 -22
  225. package/lib/js/schema/core/reusable/atomic_data/per_orbital_pair.json +0 -39
  226. package/lib/js/schema/core/reusable/atomic_data/value_number.json +0 -13
  227. package/lib/js/schema/core/reusable/atomic_data/value_string.json +0 -13
  228. package/lib/js/schema/core/reusable/atomic_data_per_orbital_numeric.json +0 -26
  229. package/lib/js/schema/core/reusable/atomic_data_per_orbital_pair_numeric.json +0 -43
  230. package/lib/js/schema/core/reusable/atomic_orbital.json +0 -32
  231. package/lib/js/schema/core/reusable/atomic_scalars.json +0 -29
  232. package/lib/js/schema/core/reusable/atomic_strings.json +0 -19
  233. package/lib/js/schema/core/reusable/atomic_vectors.json +0 -42
  234. package/lib/js/schema/core/reusable/band_gap.json +0 -64
  235. package/lib/js/schema/core/reusable/categories.json +0 -159
  236. package/lib/js/schema/core/reusable/category_path.json +0 -7
  237. package/lib/js/schema/core/reusable/dielectric_tensor_component.json +0 -46
  238. package/lib/js/schema/core/reusable/energy.json +0 -39
  239. package/lib/js/schema/core/reusable/file_metadata.json +0 -21
  240. package/lib/js/schema/core/reusable/frequency_function_matrix.json +0 -30
  241. package/lib/js/schema/core/reusable/object_storage_container_data.json +0 -32
  242. package/lib/js/schema/definitions/units.json +0 -103
  243. package/lib/js/schema/element.json +0 -103
  244. package/lib/js/schema/in_memory_entity/base.json +0 -65
  245. package/lib/js/schema/in_memory_entity/defaultable.json +0 -70
  246. package/lib/js/schema/in_memory_entity/named.json +0 -69
  247. package/lib/js/schema/in_memory_entity/named_defaultable.json +0 -74
  248. package/lib/js/schema/in_memory_entity/named_defaultable_has_metadata.json +0 -77
  249. package/lib/js/schema/in_memory_entity/named_defaultable_runtime_items.json +0 -194
  250. package/lib/js/schema/job/base.json +0 -378
  251. package/lib/js/schema/job/compute.json +0 -178
  252. package/lib/js/schema/job.json +0 -6866
  253. package/lib/js/schema/material/conventional.json +0 -11
  254. package/lib/js/schema/material.json +0 -645
  255. package/lib/js/schema/method/categorized_method.json +0 -221
  256. package/lib/js/schema/method/method_parameters.json +0 -47
  257. package/lib/js/schema/method/unit_method.json +0 -191
  258. package/lib/js/schema/method.json +0 -28
  259. package/lib/js/schema/methods_category/mathematical/diff/enum_options.json +0 -8
  260. package/lib/js/schema/methods_category/mathematical/diff/fd.json +0 -165
  261. package/lib/js/schema/methods_category/mathematical/diff.json +0 -162
  262. package/lib/js/schema/methods_category/mathematical/discr/enum_options.json +0 -8
  263. package/lib/js/schema/methods_category/mathematical/discr/mesh/enum_options.json +0 -18
  264. package/lib/js/schema/methods_category/mathematical/discr/mesh/hybrid.json +0 -168
  265. package/lib/js/schema/methods_category/mathematical/discr/mesh/nstruct.json +0 -168
  266. package/lib/js/schema/methods_category/mathematical/discr/mesh/struct/cartesian.json +0 -171
  267. package/lib/js/schema/methods_category/mathematical/discr/mesh/struct/enum_options.json +0 -8
  268. package/lib/js/schema/methods_category/mathematical/discr/mesh/struct.json +0 -168
  269. package/lib/js/schema/methods_category/mathematical/discr/mesh.json +0 -165
  270. package/lib/js/schema/methods_category/mathematical/discr.json +0 -162
  271. package/lib/js/schema/methods_category/mathematical/enum_options.json +0 -45
  272. package/lib/js/schema/methods_category/mathematical/fapprx/basisexp.json +0 -165
  273. package/lib/js/schema/methods_category/mathematical/fapprx/enum_options.json +0 -13
  274. package/lib/js/schema/methods_category/mathematical/fapprx/ipol/enum_options.json +0 -18
  275. package/lib/js/schema/methods_category/mathematical/fapprx/ipol/lin.json +0 -168
  276. package/lib/js/schema/methods_category/mathematical/fapprx/ipol/poly.json +0 -168
  277. package/lib/js/schema/methods_category/mathematical/fapprx/ipol/spline.json +0 -168
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  279. package/lib/js/schema/methods_category/mathematical/fapprx.json +0 -162
  280. package/lib/js/schema/methods_category/mathematical/intgr/analytic/enum_options.json +0 -20
  281. package/lib/js/schema/methods_category/mathematical/intgr/analytic/volume.json +0 -178
  282. package/lib/js/schema/methods_category/mathematical/intgr/analytic.json +0 -165
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  564. package/lib/js/schema/workflow/unit/subworkflow.json +0 -267
  565. package/lib/js/schema/workflow/unit.json +0 -3289
  566. package/lib/js/schema/workflow.json +0 -6488
  567. package/lib/js/schemas.json +0 -1
  568. package/modules.d.ts +0 -5
  569. /package/{lib → dist}/js/esse/JSONSchemasGenerator.d.ts +0 -0
  570. /package/{lib → dist}/js/esse/JSONSchemasGenerator.js +0 -0
  571. /package/{lib → dist}/js/esse/JSONSchemasInterface.d.ts +0 -0
  572. /package/{lib → dist}/js/esse/JSONSchemasInterface.js +0 -0
  573. /package/{lib → dist}/js/esse/JSONSchemasInterfaceServer.d.ts +0 -0
  574. /package/{lib → dist}/js/esse/JSONSchemasInterfaceServer.js +0 -0
  575. /package/{lib → dist}/js/esse/schemaUtils.d.ts +0 -0
  576. /package/{lib → dist}/js/esse/schemaUtils.js +0 -0
  577. /package/{lib → dist}/js/esse/settings.d.ts +0 -0
  578. /package/{lib → dist}/js/esse/settings.js +0 -0
  579. /package/{lib → dist}/js/esse/types.d.ts +0 -0
  580. /package/{lib → dist}/js/esse/types.js +0 -0
  581. /package/{lib → dist}/js/esse/utils.d.ts +0 -0
  582. /package/{lib → dist}/js/json_include/index.d.ts +0 -0
  583. /package/{lib → dist}/js/json_include/index.js +0 -0
  584. /package/{lib → dist}/js/json_include/settings.d.ts +0 -0
  585. /package/{lib → dist}/js/json_include/settings.js +0 -0
  586. /package/{lib → dist}/js/scripts/compileTs.d.ts +0 -0
  587. /package/{lib → dist}/js/scripts/compileTs.js +0 -0
  588. /package/{lib → dist}/js/scripts/createEnumsFromYaml.d.ts +0 -0
  589. /package/{lib → dist}/js/scripts/createEnumsFromYaml.js +0 -0
  590. /package/{lib → dist}/js/scripts/setSchemaIds.d.ts +0 -0
  591. /package/{lib → dist}/js/scripts/setSchemaIds.js +0 -0
  592. /package/{lib → dist}/js/utils/ajv.d.ts +0 -0
  593. /package/{lib → dist}/js/utils/common.d.ts +0 -0
  594. /package/{lib → dist}/js/utils/common.js +0 -0
  595. /package/{lib → dist}/js/utils/filesystem.d.ts +0 -0
  596. /package/{lib → dist}/js/utils/filesystem.js +0 -0
@@ -1,309 +0,0 @@
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- {
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- "$id": "software-directory/ml/unit/processing/feature-selection",
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- "oneOf": [
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- {
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- "$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",
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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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- "feature_selection"
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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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- "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": {
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- "type": "object",
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- "required": [
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- "nFeatures",
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- "algorithm"
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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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- "nFeatures": {
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- "description": "number of features to select for model training. If equal to 0, will use all available features",
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- "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.",
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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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- },
285
- "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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- }