@mat3ra/esse 2025.8.14-0 → 2025.8.20-0
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/dist/js/schemas.json +1 -1
- package/dist/js/types.d.ts +89 -3377
- package/package.json +1 -1
- package/dist/js/example/software_directory/ml/exabyteml.json +0 -6
- package/dist/js/example/software_directory/ml/unit/execution/evaluate/cross_validate.json +0 -20
- package/dist/js/example/software_directory/ml/unit/execution/initialize.json +0 -23
- package/dist/js/example/software_directory/ml/unit/execution/score.json +0 -18
- package/dist/js/example/software_directory/ml/unit/execution/train.json +0 -29
- package/dist/js/example/software_directory/ml/unit/processing/data_transformation/manipulation.json +0 -14
- package/dist/js/example/software_directory/ml/unit/processing/data_transformation/scale_and_reduce.json +0 -26
- package/dist/js/example/software_directory/ml/unit/processing/feature_selection/filter_based.json +0 -13
- package/dist/js/schema/software_directory/ml/exabyteml.json +0 -23
- package/dist/js/schema/software_directory/ml/unit/execution/evaluate/cross_validate.json +0 -657
- package/dist/js/schema/software_directory/ml/unit/execution/initialize.json +0 -661
- package/dist/js/schema/software_directory/ml/unit/execution/score.json +0 -647
- package/dist/js/schema/software_directory/ml/unit/execution/train.json +0 -670
- package/dist/js/schema/software_directory/ml/unit/execution.json +0 -2636
- package/dist/js/schema/software_directory/ml/unit/processing/data_transformation/manipulation.json +0 -269
- package/dist/js/schema/software_directory/ml/unit/processing/data_transformation/scale_and_reduce.json +0 -289
- package/dist/js/schema/software_directory/ml/unit/processing/data_transformation.json +0 -293
- package/dist/js/schema/software_directory/ml/unit/processing/feature_selection/filter_based.json +0 -264
- package/dist/js/schema/software_directory/ml/unit/processing/feature_selection.json +0 -268
- package/dist/js/schema/software_directory/ml/unit/processing.json +0 -564
- package/example/software_directory/ml/exabyteml.json +0 -6
- package/example/software_directory/ml/unit/execution/evaluate/cross-validate.json +0 -17
- package/example/software_directory/ml/unit/execution/initialize.json +0 -20
- package/example/software_directory/ml/unit/execution/score.json +0 -15
- package/example/software_directory/ml/unit/execution/train.json +0 -26
- package/example/software_directory/ml/unit/processing/data_transformation/manipulation.json +0 -14
- package/example/software_directory/ml/unit/processing/data_transformation/scale_and_reduce.json +0 -26
- package/example/software_directory/ml/unit/processing/feature_selection/filter_based.json +0 -13
- package/schema/software_directory/ml/exabyteml.json +0 -23
- package/schema/software_directory/ml/unit/execution/evaluate/cross-validate.json +0 -26
- package/schema/software_directory/ml/unit/execution/initialize.json +0 -30
- package/schema/software_directory/ml/unit/execution/score.json +0 -14
- package/schema/software_directory/ml/unit/execution/train.json +0 -39
- package/schema/software_directory/ml/unit/execution.json +0 -17
- package/schema/software_directory/ml/unit/processing/data_transformation/manipulation.json +0 -50
- package/schema/software_directory/ml/unit/processing/data_transformation/scale_and_reduce.json +0 -70
- package/schema/software_directory/ml/unit/processing/data_transformation.json +0 -8
- package/schema/software_directory/ml/unit/processing/feature_selection/filter_based.json +0 -45
- package/schema/software_directory/ml/unit/processing/feature_selection.json +0 -8
- package/schema/software_directory/ml/unit/processing.json +0 -11
package/dist/js/types.d.ts
CHANGED
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@@ -140,7 +140,19 @@ export interface AtomicSpeciesSchema {
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}[];
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}
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/** Schema dist/js/schema/apse/file/applications/espresso/7.2/pw.x/cell.json */
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-
export type CellSchema =
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export type CellSchema = CellSchema1 & CellSchema2;
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export type CellSchema2 = {
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/**
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* CASE ( calculation == 'vc-relax' )
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*/
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cell_dynamics?: "none" | "sd" | "damp-pr" | "damp-w" | "bfgs";
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} | {
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/**
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* CASE ( calculation == 'vc-md' )
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*/
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cell_dynamics?: "none" | "pr" | "w";
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};
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export interface CellSchema1 {
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/**
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* Target pressure [KBar] in a variable-cell md or relaxation run.
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*/
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@@ -161,17 +173,7 @@ export type CellSchema = {
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* Select which of the cell parameters should be moved
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*/
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cell_dofree?: "all" | "ibrav" | "a" | "b" | "c" | "fixa" | "fixb" | "fixc" | "x" | "y" | "xy" | "xz" | "xyz" | "shape" | "volume" | "2Dxy" | "2Dshape" | "epitaxial_ab" | "epitaxial_ac" | "epitaxial_bc";
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}
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/**
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*/
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cell_dynamics?: "none" | "sd" | "damp-pr" | "damp-w" | "bfgs";
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} | {
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/**
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*/
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cell_dynamics?: "none" | "pr" | "w";
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});
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}
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/** Schema dist/js/schema/apse/file/applications/espresso/7.2/pw.x/cell_parameters.json */
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export interface CellParametersSchema {
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/**
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@@ -534,7 +536,29 @@ export interface HubbardSchema {
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})[];
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}
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/** Schema dist/js/schema/apse/file/applications/espresso/7.2/pw.x/ions.json */
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export type IonsSchema =
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export type IonsSchema = IonsSchema1 & IonsSchema2;
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export type IonsSchema2 = {
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/**
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* CASE: calculation == 'relax'
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*/
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ion_dynamics?: "bfgs" | "damp" | "fire";
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} | {
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/**
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* CASE: calculation == 'md'
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*/
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ion_dynamics?: "verlet" | "langevin" | "langevin-smc";
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} | {
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/**
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* CASE: calculation == 'vc-relax'
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*/
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ion_dynamics?: "bfgs" | "damp";
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} | {
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/**
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* CASE: calculation == 'vc-md'
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*/
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ion_dynamics?: "beeman";
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};
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export interface IonsSchema1 {
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ion_positions?: "default" | "from_input";
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ion_velocities?: "default" | "from_input";
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/**
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* Determines the maximum value of dt in the FIRE minimization; dtmax = fire_dtmax*dt
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*/
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fire_dtmax?: 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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ion_dynamics?: "verlet" | "langevin" | "langevin-smc";
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} | {
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*/
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ion_dynamics?: "bfgs" | "damp";
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} | {
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*/
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ion_dynamics?: "beeman";
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});
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}
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/** Schema dist/js/schema/apse/file/applications/espresso/7.2/pw.x/k_points.json */
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export interface KPointsSchema {
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card_option?: "tpiba" | "automatic" | "crystal" | "gamma" | "tpiba_b" | "crystal_b" | "tpiba_c" | "crystal_c";
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} | null;
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}
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/** Schema dist/js/schema/apse/file/applications/espresso/7.2/pw.x/system.json */
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export type SystemSchema =
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export type SystemSchema = SystemSchema1 & SystemSchema2;
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export type SystemSchema1 = {
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/**
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* @minItems 6
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* @maxItems 6
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cosAB?: number;
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cosAC?: number;
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cosBC?: number;
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}
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};
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export interface SystemSchema2 {
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ibrav: number;
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/**
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* number of atoms in the unit cell (ALL atoms, except if space_group is set, in which case, INEQUIVALENT atoms)
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* Number of activated external ionic force fields.
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nextffield?: number;
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}
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}
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/** Schema dist/js/schema/apse/file/applications/espresso/7.2/pw.x.json */
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export interface PwxMainSchema {
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"&CONTROL"?: {
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/**
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|
*/
|
|
34150
|
-
value: (number | string) | number;
|
|
34156
|
+
value: (number | string | number) | number;
|
|
34151
34157
|
/**
|
|
34152
34158
|
* integer id of this entry
|
|
34153
34159
|
*/
|
|
@@ -35335,7 +35341,7 @@ export interface PerturbationSchema {
|
|
|
35335
35341
|
/**
|
|
35336
35342
|
* value of this entry
|
|
35337
35343
|
*/
|
|
35338
|
-
value: (number | string) | number;
|
|
35344
|
+
value: (number | string | number) | number;
|
|
35339
35345
|
/**
|
|
35340
35346
|
* integer id of this entry
|
|
35341
35347
|
*/
|
|
@@ -41953,13 +41959,8 @@ export interface SpinPolarizationMixin {
|
|
|
41953
41959
|
[k: string]: unknown;
|
|
41954
41960
|
}
|
|
41955
41961
|
/** Schema dist/js/schema/model/model_parameters.json */
|
|
41956
|
-
export type ModelParameters =
|
|
41957
|
-
|
|
41958
|
-
spinPolarization?: "collinear" | "non-collinear";
|
|
41959
|
-
spinOrbitCoupling?: boolean;
|
|
41960
|
-
dispersionCorrection?: "dft-d2" | "dft-d3" | "xdm" | "ts";
|
|
41961
|
-
[k: string]: unknown;
|
|
41962
|
-
} & ({
|
|
41962
|
+
export type ModelParameters = ModelParameters1 & ModelParameters2;
|
|
41963
|
+
export type ModelParameters2 = {
|
|
41963
41964
|
functional?: "pz";
|
|
41964
41965
|
[k: string]: unknown;
|
|
41965
41966
|
} | {
|
|
@@ -41972,7 +41973,14 @@ export type ModelParameters = {
|
|
|
41972
41973
|
functional?: "hse06" | "b3lyp";
|
|
41973
41974
|
} | {
|
|
41974
41975
|
functional?: "b2plyp";
|
|
41975
|
-
}
|
|
41976
|
+
};
|
|
41977
|
+
export interface ModelParameters1 {
|
|
41978
|
+
hubbardType?: "u";
|
|
41979
|
+
spinPolarization?: "collinear" | "non-collinear";
|
|
41980
|
+
spinOrbitCoupling?: boolean;
|
|
41981
|
+
dispersionCorrection?: "dft-d2" | "dft-d3" | "xdm" | "ts";
|
|
41982
|
+
[k: string]: unknown;
|
|
41983
|
+
}
|
|
41976
41984
|
/** Schema dist/js/schema/model/model_without_method.json */
|
|
41977
41985
|
export interface ModelWithoutMethodSchemaBase {
|
|
41978
41986
|
/**
|
|
@@ -44171,7 +44179,18 @@ export interface ModelLocalDensityApproximation {
|
|
|
44171
44179
|
tags?: string[];
|
|
44172
44180
|
}
|
|
44173
44181
|
/** Schema dist/js/schema/models_directory/legacy/dft.json */
|
|
44174
|
-
export type LegacyModelDensityFunctionalTheory =
|
|
44182
|
+
export type LegacyModelDensityFunctionalTheory = LegacyModelDensityFunctionalTheory1 & LegacyModelDensityFunctionalTheory2;
|
|
44183
|
+
export type LegacyModelDensityFunctionalTheory2 = {
|
|
44184
|
+
subtype?: "lda";
|
|
44185
|
+
functional?: "pz" | "pw" | "vwn" | "other";
|
|
44186
|
+
} | {
|
|
44187
|
+
subtype?: "gga";
|
|
44188
|
+
functional?: "pbe" | "pbesol" | "pw91" | "other";
|
|
44189
|
+
} | {
|
|
44190
|
+
subtype?: "hybrid";
|
|
44191
|
+
functional?: "b3lyp" | "hse06";
|
|
44192
|
+
};
|
|
44193
|
+
export interface LegacyModelDensityFunctionalTheory1 {
|
|
44175
44194
|
/**
|
|
44176
44195
|
* general type of the model, eg. `dft`
|
|
44177
44196
|
*/
|
|
@@ -44199,18 +44218,9 @@ export type LegacyModelDensityFunctionalTheory = {
|
|
|
44199
44218
|
data?: {};
|
|
44200
44219
|
};
|
|
44201
44220
|
[k: string]: unknown;
|
|
44202
|
-
}
|
|
44203
|
-
subtype?: "lda";
|
|
44204
|
-
functional?: "pz" | "pw" | "vwn" | "other";
|
|
44205
|
-
} | {
|
|
44206
|
-
subtype?: "gga";
|
|
44207
|
-
functional?: "pbe" | "pbesol" | "pw91" | "other";
|
|
44208
|
-
} | {
|
|
44209
|
-
subtype?: "hybrid";
|
|
44210
|
-
functional?: "b3lyp" | "hse06";
|
|
44211
|
-
});
|
|
44221
|
+
}
|
|
44212
44222
|
/**
|
|
44213
|
-
* This interface was referenced by `
|
|
44223
|
+
* This interface was referenced by `LegacyModelDensityFunctionalTheory1`'s JSON-Schema
|
|
44214
44224
|
* via the `definition` "lda".
|
|
44215
44225
|
*/
|
|
44216
44226
|
export interface Lda {
|
|
@@ -44218,7 +44228,7 @@ export interface Lda {
|
|
|
44218
44228
|
functional?: "pz" | "pw" | "vwn" | "other";
|
|
44219
44229
|
}
|
|
44220
44230
|
/**
|
|
44221
|
-
* This interface was referenced by `
|
|
44231
|
+
* This interface was referenced by `LegacyModelDensityFunctionalTheory1`'s JSON-Schema
|
|
44222
44232
|
* via the `definition` "gga".
|
|
44223
44233
|
*/
|
|
44224
44234
|
export interface Gga {
|
|
@@ -44226,7 +44236,7 @@ export interface Gga {
|
|
|
44226
44236
|
functional?: "pbe" | "pbesol" | "pw91" | "other";
|
|
44227
44237
|
}
|
|
44228
44238
|
/**
|
|
44229
|
-
* This interface was referenced by `
|
|
44239
|
+
* This interface was referenced by `LegacyModelDensityFunctionalTheory1`'s JSON-Schema
|
|
44230
44240
|
* via the `definition` "hybrid".
|
|
44231
44241
|
*/
|
|
44232
44242
|
export interface Hybrid {
|
|
@@ -45635,7 +45645,7 @@ export type AtomicLabelsSchema = {
|
|
|
45635
45645
|
/**
|
|
45636
45646
|
* value of this entry
|
|
45637
45647
|
*/
|
|
45638
|
-
value: (number | string) | number;
|
|
45648
|
+
value: (number | string | number) | number;
|
|
45639
45649
|
/**
|
|
45640
45650
|
* integer id of this entry
|
|
45641
45651
|
*/
|
|
@@ -45706,7 +45716,7 @@ export interface BasisSchema {
|
|
|
45706
45716
|
/**
|
|
45707
45717
|
* value of this entry
|
|
45708
45718
|
*/
|
|
45709
|
-
value: (number | string) | number;
|
|
45719
|
+
value: (number | string | number) | number;
|
|
45710
45720
|
/**
|
|
45711
45721
|
* integer id of this entry
|
|
45712
45722
|
*/
|
|
@@ -47008,3304 +47018,6 @@ export interface TemplateSchema {
|
|
|
47008
47018
|
*/
|
|
47009
47019
|
schemaVersion?: string;
|
|
47010
47020
|
}
|
|
47011
|
-
/** Schema dist/js/schema/software_directory/ml/exabyteml.json */
|
|
47012
|
-
export interface ExabyteMachineLearningEngineSchema {
|
|
47013
|
-
name?: "exabyteml";
|
|
47014
|
-
summary?: "exabyte machine learning engine";
|
|
47015
|
-
version?: "0.2.0";
|
|
47016
|
-
}
|
|
47017
|
-
/** Schema dist/js/schema/software_directory/ml/unit/execution/evaluate/cross_validate.json */
|
|
47018
|
-
export interface CrossValidationUnitSchema {
|
|
47019
|
-
/**
|
|
47020
|
-
* TODO: consider keeping executable `evaluate` and flavor `cross-validate` as before
|
|
47021
|
-
*/
|
|
47022
|
-
input: {
|
|
47023
|
-
/**
|
|
47024
|
-
* number of groups to split the training dataset for cross-validation
|
|
47025
|
-
*/
|
|
47026
|
-
nSplits: number;
|
|
47027
|
-
};
|
|
47028
|
-
/**
|
|
47029
|
-
* type of the unit
|
|
47030
|
-
*/
|
|
47031
|
-
type: "execution";
|
|
47032
|
-
application: {
|
|
47033
|
-
/**
|
|
47034
|
-
* The short name of the application. e.g. qe
|
|
47035
|
-
*/
|
|
47036
|
-
shortName?: string;
|
|
47037
|
-
/**
|
|
47038
|
-
* Application's short description.
|
|
47039
|
-
*/
|
|
47040
|
-
summary?: string;
|
|
47041
|
-
/**
|
|
47042
|
-
* Application version. e.g. 5.3.5
|
|
47043
|
-
*/
|
|
47044
|
-
version?: string;
|
|
47045
|
-
/**
|
|
47046
|
-
* Application build. e.g. VTST
|
|
47047
|
-
*/
|
|
47048
|
-
build?: string;
|
|
47049
|
-
/**
|
|
47050
|
-
* Whether advanced compute options are present
|
|
47051
|
-
*/
|
|
47052
|
-
hasAdvancedComputeOptions?: boolean;
|
|
47053
|
-
/**
|
|
47054
|
-
* Whether licensing is present
|
|
47055
|
-
*/
|
|
47056
|
-
isLicensed?: boolean;
|
|
47057
|
-
/**
|
|
47058
|
-
* entity identity
|
|
47059
|
-
*/
|
|
47060
|
-
_id?: string;
|
|
47061
|
-
/**
|
|
47062
|
-
* entity slug
|
|
47063
|
-
*/
|
|
47064
|
-
slug?: string;
|
|
47065
|
-
systemName?: string;
|
|
47066
|
-
/**
|
|
47067
|
-
* entity's schema version. Used to distinct between different schemas.
|
|
47068
|
-
*/
|
|
47069
|
-
schemaVersion?: string;
|
|
47070
|
-
/**
|
|
47071
|
-
* entity name
|
|
47072
|
-
*/
|
|
47073
|
-
name?: string;
|
|
47074
|
-
/**
|
|
47075
|
-
* Identifies that entity is defaultable
|
|
47076
|
-
*/
|
|
47077
|
-
isDefault?: boolean;
|
|
47078
|
-
[k: string]: unknown;
|
|
47079
|
-
};
|
|
47080
|
-
executable?: {
|
|
47081
|
-
/**
|
|
47082
|
-
* The name of the executable. e.g. pw.x
|
|
47083
|
-
*/
|
|
47084
|
-
name: string;
|
|
47085
|
-
/**
|
|
47086
|
-
* _ids of the application this executable belongs to
|
|
47087
|
-
*/
|
|
47088
|
-
applicationId?: string[];
|
|
47089
|
-
/**
|
|
47090
|
-
* Whether advanced compute options are present
|
|
47091
|
-
*/
|
|
47092
|
-
hasAdvancedComputeOptions?: boolean;
|
|
47093
|
-
/**
|
|
47094
|
-
* entity identity
|
|
47095
|
-
*/
|
|
47096
|
-
_id?: string;
|
|
47097
|
-
/**
|
|
47098
|
-
* entity slug
|
|
47099
|
-
*/
|
|
47100
|
-
slug?: string;
|
|
47101
|
-
systemName?: string;
|
|
47102
|
-
/**
|
|
47103
|
-
* entity's schema version. Used to distinct between different schemas.
|
|
47104
|
-
*/
|
|
47105
|
-
schemaVersion?: string;
|
|
47106
|
-
/**
|
|
47107
|
-
* Identifies that entity is defaultable
|
|
47108
|
-
*/
|
|
47109
|
-
isDefault?: boolean;
|
|
47110
|
-
/**
|
|
47111
|
-
* names of the pre-processors for this calculation
|
|
47112
|
-
*/
|
|
47113
|
-
preProcessors?: ({
|
|
47114
|
-
/**
|
|
47115
|
-
* The name of this item. e.g. scf_accuracy
|
|
47116
|
-
*/
|
|
47117
|
-
name: string;
|
|
47118
|
-
} | string)[];
|
|
47119
|
-
/**
|
|
47120
|
-
* names of the post-processors for this calculation
|
|
47121
|
-
*/
|
|
47122
|
-
postProcessors?: ({
|
|
47123
|
-
/**
|
|
47124
|
-
* The name of this item. e.g. scf_accuracy
|
|
47125
|
-
*/
|
|
47126
|
-
name: string;
|
|
47127
|
-
} | string)[];
|
|
47128
|
-
/**
|
|
47129
|
-
* names of the monitors for this calculation
|
|
47130
|
-
*/
|
|
47131
|
-
monitors?: ({
|
|
47132
|
-
/**
|
|
47133
|
-
* The name of this item. e.g. scf_accuracy
|
|
47134
|
-
*/
|
|
47135
|
-
name: string;
|
|
47136
|
-
} | string)[];
|
|
47137
|
-
/**
|
|
47138
|
-
* names of the results for this calculation
|
|
47139
|
-
*/
|
|
47140
|
-
results?: ({
|
|
47141
|
-
/**
|
|
47142
|
-
* The name of this item. e.g. scf_accuracy
|
|
47143
|
-
*/
|
|
47144
|
-
name: string;
|
|
47145
|
-
} | string)[];
|
|
47146
|
-
};
|
|
47147
|
-
flavor?: {
|
|
47148
|
-
/**
|
|
47149
|
-
* _id of the executable this flavor belongs to
|
|
47150
|
-
*/
|
|
47151
|
-
executableId?: string;
|
|
47152
|
-
/**
|
|
47153
|
-
* name of the executable this flavor belongs to
|
|
47154
|
-
*/
|
|
47155
|
-
executableName?: string;
|
|
47156
|
-
/**
|
|
47157
|
-
* name of the application this flavor belongs to
|
|
47158
|
-
*/
|
|
47159
|
-
applicationName?: string;
|
|
47160
|
-
input?: {
|
|
47161
|
-
templateId?: string;
|
|
47162
|
-
templateName?: string;
|
|
47163
|
-
/**
|
|
47164
|
-
* name of the resulting input file, if different than template name
|
|
47165
|
-
*/
|
|
47166
|
-
name?: string;
|
|
47167
|
-
}[];
|
|
47168
|
-
/**
|
|
47169
|
-
* list of application versions this flavor supports
|
|
47170
|
-
*/
|
|
47171
|
-
supportedApplicationVersions?: string[];
|
|
47172
|
-
/**
|
|
47173
|
-
* entity identity
|
|
47174
|
-
*/
|
|
47175
|
-
_id?: string;
|
|
47176
|
-
/**
|
|
47177
|
-
* entity slug
|
|
47178
|
-
*/
|
|
47179
|
-
slug?: string;
|
|
47180
|
-
systemName?: string;
|
|
47181
|
-
/**
|
|
47182
|
-
* entity's schema version. Used to distinct between different schemas.
|
|
47183
|
-
*/
|
|
47184
|
-
schemaVersion?: string;
|
|
47185
|
-
/**
|
|
47186
|
-
* entity name
|
|
47187
|
-
*/
|
|
47188
|
-
name?: string;
|
|
47189
|
-
/**
|
|
47190
|
-
* Identifies that entity is defaultable
|
|
47191
|
-
*/
|
|
47192
|
-
isDefault?: boolean;
|
|
47193
|
-
/**
|
|
47194
|
-
* names of the pre-processors for this calculation
|
|
47195
|
-
*/
|
|
47196
|
-
preProcessors?: ({
|
|
47197
|
-
/**
|
|
47198
|
-
* The name of this item. e.g. scf_accuracy
|
|
47199
|
-
*/
|
|
47200
|
-
name: string;
|
|
47201
|
-
} | string)[];
|
|
47202
|
-
/**
|
|
47203
|
-
* names of the post-processors for this calculation
|
|
47204
|
-
*/
|
|
47205
|
-
postProcessors?: ({
|
|
47206
|
-
/**
|
|
47207
|
-
* The name of this item. e.g. scf_accuracy
|
|
47208
|
-
*/
|
|
47209
|
-
name: string;
|
|
47210
|
-
} | string)[];
|
|
47211
|
-
/**
|
|
47212
|
-
* names of the monitors for this calculation
|
|
47213
|
-
*/
|
|
47214
|
-
monitors?: ({
|
|
47215
|
-
/**
|
|
47216
|
-
* The name of this item. e.g. scf_accuracy
|
|
47217
|
-
*/
|
|
47218
|
-
name: string;
|
|
47219
|
-
} | string)[];
|
|
47220
|
-
/**
|
|
47221
|
-
* names of the results for this calculation
|
|
47222
|
-
*/
|
|
47223
|
-
results?: ({
|
|
47224
|
-
/**
|
|
47225
|
-
* The name of this item. e.g. scf_accuracy
|
|
47226
|
-
*/
|
|
47227
|
-
name: string;
|
|
47228
|
-
} | string)[];
|
|
47229
|
-
};
|
|
47230
|
-
/**
|
|
47231
|
-
* entity identity
|
|
47232
|
-
*/
|
|
47233
|
-
_id?: string;
|
|
47234
|
-
isDraft?: boolean;
|
|
47235
|
-
/**
|
|
47236
|
-
* name of the unit. e.g. pw_scf
|
|
47237
|
-
*/
|
|
47238
|
-
name?: string;
|
|
47239
|
-
/**
|
|
47240
|
-
* Status of the unit.
|
|
47241
|
-
*/
|
|
47242
|
-
status?: "idle" | "active" | "warning" | "error" | "finished";
|
|
47243
|
-
/**
|
|
47244
|
-
* Whether this unit is the first one to be executed.
|
|
47245
|
-
*/
|
|
47246
|
-
head?: boolean;
|
|
47247
|
-
/**
|
|
47248
|
-
* Identity of the unit in the workflow. Used to trace the execution flow of the workflow.
|
|
47249
|
-
*/
|
|
47250
|
-
flowchartId: string;
|
|
47251
|
-
/**
|
|
47252
|
-
* Next unit's flowchartId. If empty, the current unit is the last.
|
|
47253
|
-
*/
|
|
47254
|
-
next?: string;
|
|
47255
|
-
/**
|
|
47256
|
-
* Whether Rupy should attempt to use Jinja templating to add context variables into the unit
|
|
47257
|
-
*/
|
|
47258
|
-
enableRender?: boolean;
|
|
47259
|
-
context?: {};
|
|
47260
|
-
/**
|
|
47261
|
-
* entity slug
|
|
47262
|
-
*/
|
|
47263
|
-
slug?: string;
|
|
47264
|
-
systemName?: string;
|
|
47265
|
-
/**
|
|
47266
|
-
* entity's schema version. Used to distinct between different schemas.
|
|
47267
|
-
*/
|
|
47268
|
-
schemaVersion?: string;
|
|
47269
|
-
/**
|
|
47270
|
-
* Identifies that entity is defaultable
|
|
47271
|
-
*/
|
|
47272
|
-
isDefault?: boolean;
|
|
47273
|
-
/**
|
|
47274
|
-
* names of the pre-processors for this calculation
|
|
47275
|
-
*/
|
|
47276
|
-
preProcessors?: ({
|
|
47277
|
-
/**
|
|
47278
|
-
* The name of this item. e.g. scf_accuracy
|
|
47279
|
-
*/
|
|
47280
|
-
name: string;
|
|
47281
|
-
} | string)[];
|
|
47282
|
-
/**
|
|
47283
|
-
* names of the post-processors for this calculation
|
|
47284
|
-
*/
|
|
47285
|
-
postProcessors?: ({
|
|
47286
|
-
/**
|
|
47287
|
-
* The name of this item. e.g. scf_accuracy
|
|
47288
|
-
*/
|
|
47289
|
-
name: string;
|
|
47290
|
-
} | string)[];
|
|
47291
|
-
/**
|
|
47292
|
-
* names of the monitors for this calculation
|
|
47293
|
-
*/
|
|
47294
|
-
monitors?: ({
|
|
47295
|
-
/**
|
|
47296
|
-
* The name of this item. e.g. scf_accuracy
|
|
47297
|
-
*/
|
|
47298
|
-
name: string;
|
|
47299
|
-
} | string)[];
|
|
47300
|
-
/**
|
|
47301
|
-
* names of the results for this calculation
|
|
47302
|
-
*/
|
|
47303
|
-
results?: ({
|
|
47304
|
-
/**
|
|
47305
|
-
* The name of this item. e.g. scf_accuracy
|
|
47306
|
-
*/
|
|
47307
|
-
name: string;
|
|
47308
|
-
} | string)[];
|
|
47309
|
-
/**
|
|
47310
|
-
* entity tags
|
|
47311
|
-
*/
|
|
47312
|
-
tags?: string[];
|
|
47313
|
-
statusTrack?: {
|
|
47314
|
-
trackedAt: number;
|
|
47315
|
-
status: string;
|
|
47316
|
-
repetition?: number;
|
|
47317
|
-
}[];
|
|
47318
|
-
[k: string]: unknown;
|
|
47319
|
-
}
|
|
47320
|
-
/** Schema dist/js/schema/software_directory/ml/unit/execution/initialize.json */
|
|
47321
|
-
export interface InitializeUnitSchema {
|
|
47322
|
-
/**
|
|
47323
|
-
* model init unit (NOTE: info about method, eg. regression/linear is taken from (sub)workflow)
|
|
47324
|
-
*/
|
|
47325
|
-
input: {
|
|
47326
|
-
/**
|
|
47327
|
-
* target properties to predict (NOTE: must be a subset of targets for which training was done)
|
|
47328
|
-
*/
|
|
47329
|
-
targets: string[];
|
|
47330
|
-
};
|
|
47331
|
-
/**
|
|
47332
|
-
* type of the unit
|
|
47333
|
-
*/
|
|
47334
|
-
type: "execution";
|
|
47335
|
-
application: {
|
|
47336
|
-
/**
|
|
47337
|
-
* The short name of the application. e.g. qe
|
|
47338
|
-
*/
|
|
47339
|
-
shortName?: string;
|
|
47340
|
-
/**
|
|
47341
|
-
* Application's short description.
|
|
47342
|
-
*/
|
|
47343
|
-
summary?: string;
|
|
47344
|
-
/**
|
|
47345
|
-
* Application version. e.g. 5.3.5
|
|
47346
|
-
*/
|
|
47347
|
-
version?: string;
|
|
47348
|
-
/**
|
|
47349
|
-
* Application build. e.g. VTST
|
|
47350
|
-
*/
|
|
47351
|
-
build?: string;
|
|
47352
|
-
/**
|
|
47353
|
-
* Whether advanced compute options are present
|
|
47354
|
-
*/
|
|
47355
|
-
hasAdvancedComputeOptions?: boolean;
|
|
47356
|
-
/**
|
|
47357
|
-
* Whether licensing is present
|
|
47358
|
-
*/
|
|
47359
|
-
isLicensed?: boolean;
|
|
47360
|
-
/**
|
|
47361
|
-
* entity identity
|
|
47362
|
-
*/
|
|
47363
|
-
_id?: string;
|
|
47364
|
-
/**
|
|
47365
|
-
* entity slug
|
|
47366
|
-
*/
|
|
47367
|
-
slug?: string;
|
|
47368
|
-
systemName?: string;
|
|
47369
|
-
/**
|
|
47370
|
-
* entity's schema version. Used to distinct between different schemas.
|
|
47371
|
-
*/
|
|
47372
|
-
schemaVersion?: string;
|
|
47373
|
-
/**
|
|
47374
|
-
* entity name
|
|
47375
|
-
*/
|
|
47376
|
-
name?: string;
|
|
47377
|
-
/**
|
|
47378
|
-
* Identifies that entity is defaultable
|
|
47379
|
-
*/
|
|
47380
|
-
isDefault?: boolean;
|
|
47381
|
-
[k: string]: unknown;
|
|
47382
|
-
};
|
|
47383
|
-
executable?: {
|
|
47384
|
-
/**
|
|
47385
|
-
* The name of the executable. e.g. pw.x
|
|
47386
|
-
*/
|
|
47387
|
-
name: string;
|
|
47388
|
-
/**
|
|
47389
|
-
* _ids of the application this executable belongs to
|
|
47390
|
-
*/
|
|
47391
|
-
applicationId?: string[];
|
|
47392
|
-
/**
|
|
47393
|
-
* Whether advanced compute options are present
|
|
47394
|
-
*/
|
|
47395
|
-
hasAdvancedComputeOptions?: boolean;
|
|
47396
|
-
/**
|
|
47397
|
-
* entity identity
|
|
47398
|
-
*/
|
|
47399
|
-
_id?: string;
|
|
47400
|
-
/**
|
|
47401
|
-
* entity slug
|
|
47402
|
-
*/
|
|
47403
|
-
slug?: string;
|
|
47404
|
-
systemName?: string;
|
|
47405
|
-
/**
|
|
47406
|
-
* entity's schema version. Used to distinct between different schemas.
|
|
47407
|
-
*/
|
|
47408
|
-
schemaVersion?: string;
|
|
47409
|
-
/**
|
|
47410
|
-
* Identifies that entity is defaultable
|
|
47411
|
-
*/
|
|
47412
|
-
isDefault?: boolean;
|
|
47413
|
-
/**
|
|
47414
|
-
* names of the pre-processors for this calculation
|
|
47415
|
-
*/
|
|
47416
|
-
preProcessors?: ({
|
|
47417
|
-
/**
|
|
47418
|
-
* The name of this item. e.g. scf_accuracy
|
|
47419
|
-
*/
|
|
47420
|
-
name: string;
|
|
47421
|
-
} | string)[];
|
|
47422
|
-
/**
|
|
47423
|
-
* names of the post-processors for this calculation
|
|
47424
|
-
*/
|
|
47425
|
-
postProcessors?: ({
|
|
47426
|
-
/**
|
|
47427
|
-
* The name of this item. e.g. scf_accuracy
|
|
47428
|
-
*/
|
|
47429
|
-
name: string;
|
|
47430
|
-
} | string)[];
|
|
47431
|
-
/**
|
|
47432
|
-
* names of the monitors for this calculation
|
|
47433
|
-
*/
|
|
47434
|
-
monitors?: ({
|
|
47435
|
-
/**
|
|
47436
|
-
* The name of this item. e.g. scf_accuracy
|
|
47437
|
-
*/
|
|
47438
|
-
name: string;
|
|
47439
|
-
} | string)[];
|
|
47440
|
-
/**
|
|
47441
|
-
* names of the results for this calculation
|
|
47442
|
-
*/
|
|
47443
|
-
results?: ({
|
|
47444
|
-
/**
|
|
47445
|
-
* The name of this item. e.g. scf_accuracy
|
|
47446
|
-
*/
|
|
47447
|
-
name: string;
|
|
47448
|
-
} | string)[];
|
|
47449
|
-
};
|
|
47450
|
-
flavor?: {
|
|
47451
|
-
/**
|
|
47452
|
-
* _id of the executable this flavor belongs to
|
|
47453
|
-
*/
|
|
47454
|
-
executableId?: string;
|
|
47455
|
-
/**
|
|
47456
|
-
* name of the executable this flavor belongs to
|
|
47457
|
-
*/
|
|
47458
|
-
executableName?: string;
|
|
47459
|
-
/**
|
|
47460
|
-
* name of the application this flavor belongs to
|
|
47461
|
-
*/
|
|
47462
|
-
applicationName?: string;
|
|
47463
|
-
input?: {
|
|
47464
|
-
templateId?: string;
|
|
47465
|
-
templateName?: string;
|
|
47466
|
-
/**
|
|
47467
|
-
* name of the resulting input file, if different than template name
|
|
47468
|
-
*/
|
|
47469
|
-
name?: string;
|
|
47470
|
-
}[];
|
|
47471
|
-
/**
|
|
47472
|
-
* list of application versions this flavor supports
|
|
47473
|
-
*/
|
|
47474
|
-
supportedApplicationVersions?: string[];
|
|
47475
|
-
/**
|
|
47476
|
-
* entity identity
|
|
47477
|
-
*/
|
|
47478
|
-
_id?: string;
|
|
47479
|
-
/**
|
|
47480
|
-
* entity slug
|
|
47481
|
-
*/
|
|
47482
|
-
slug?: string;
|
|
47483
|
-
systemName?: string;
|
|
47484
|
-
/**
|
|
47485
|
-
* entity's schema version. Used to distinct between different schemas.
|
|
47486
|
-
*/
|
|
47487
|
-
schemaVersion?: string;
|
|
47488
|
-
/**
|
|
47489
|
-
* entity name
|
|
47490
|
-
*/
|
|
47491
|
-
name?: string;
|
|
47492
|
-
/**
|
|
47493
|
-
* Identifies that entity is defaultable
|
|
47494
|
-
*/
|
|
47495
|
-
isDefault?: boolean;
|
|
47496
|
-
/**
|
|
47497
|
-
* names of the pre-processors for this calculation
|
|
47498
|
-
*/
|
|
47499
|
-
preProcessors?: ({
|
|
47500
|
-
/**
|
|
47501
|
-
* The name of this item. e.g. scf_accuracy
|
|
47502
|
-
*/
|
|
47503
|
-
name: string;
|
|
47504
|
-
} | string)[];
|
|
47505
|
-
/**
|
|
47506
|
-
* names of the post-processors for this calculation
|
|
47507
|
-
*/
|
|
47508
|
-
postProcessors?: ({
|
|
47509
|
-
/**
|
|
47510
|
-
* The name of this item. e.g. scf_accuracy
|
|
47511
|
-
*/
|
|
47512
|
-
name: string;
|
|
47513
|
-
} | string)[];
|
|
47514
|
-
/**
|
|
47515
|
-
* names of the monitors for this calculation
|
|
47516
|
-
*/
|
|
47517
|
-
monitors?: ({
|
|
47518
|
-
/**
|
|
47519
|
-
* The name of this item. e.g. scf_accuracy
|
|
47520
|
-
*/
|
|
47521
|
-
name: string;
|
|
47522
|
-
} | string)[];
|
|
47523
|
-
/**
|
|
47524
|
-
* names of the results for this calculation
|
|
47525
|
-
*/
|
|
47526
|
-
results?: ({
|
|
47527
|
-
/**
|
|
47528
|
-
* The name of this item. e.g. scf_accuracy
|
|
47529
|
-
*/
|
|
47530
|
-
name: string;
|
|
47531
|
-
} | string)[];
|
|
47532
|
-
};
|
|
47533
|
-
/**
|
|
47534
|
-
* entity identity
|
|
47535
|
-
*/
|
|
47536
|
-
_id?: string;
|
|
47537
|
-
isDraft?: boolean;
|
|
47538
|
-
/**
|
|
47539
|
-
* name of the unit. e.g. pw_scf
|
|
47540
|
-
*/
|
|
47541
|
-
name?: string;
|
|
47542
|
-
/**
|
|
47543
|
-
* Status of the unit.
|
|
47544
|
-
*/
|
|
47545
|
-
status?: "idle" | "active" | "warning" | "error" | "finished";
|
|
47546
|
-
/**
|
|
47547
|
-
* Whether this unit is the first one to be executed.
|
|
47548
|
-
*/
|
|
47549
|
-
head?: boolean;
|
|
47550
|
-
/**
|
|
47551
|
-
* Identity of the unit in the workflow. Used to trace the execution flow of the workflow.
|
|
47552
|
-
*/
|
|
47553
|
-
flowchartId: string;
|
|
47554
|
-
/**
|
|
47555
|
-
* Next unit's flowchartId. If empty, the current unit is the last.
|
|
47556
|
-
*/
|
|
47557
|
-
next?: string;
|
|
47558
|
-
/**
|
|
47559
|
-
* Whether Rupy should attempt to use Jinja templating to add context variables into the unit
|
|
47560
|
-
*/
|
|
47561
|
-
enableRender?: boolean;
|
|
47562
|
-
context?: {};
|
|
47563
|
-
/**
|
|
47564
|
-
* entity slug
|
|
47565
|
-
*/
|
|
47566
|
-
slug?: string;
|
|
47567
|
-
systemName?: string;
|
|
47568
|
-
/**
|
|
47569
|
-
* entity's schema version. Used to distinct between different schemas.
|
|
47570
|
-
*/
|
|
47571
|
-
schemaVersion?: string;
|
|
47572
|
-
/**
|
|
47573
|
-
* Identifies that entity is defaultable
|
|
47574
|
-
*/
|
|
47575
|
-
isDefault?: boolean;
|
|
47576
|
-
/**
|
|
47577
|
-
* names of the pre-processors for this calculation
|
|
47578
|
-
*/
|
|
47579
|
-
preProcessors?: ({
|
|
47580
|
-
/**
|
|
47581
|
-
* The name of this item. e.g. scf_accuracy
|
|
47582
|
-
*/
|
|
47583
|
-
name: string;
|
|
47584
|
-
} | string)[];
|
|
47585
|
-
/**
|
|
47586
|
-
* names of the post-processors for this calculation
|
|
47587
|
-
*/
|
|
47588
|
-
postProcessors?: ({
|
|
47589
|
-
/**
|
|
47590
|
-
* The name of this item. e.g. scf_accuracy
|
|
47591
|
-
*/
|
|
47592
|
-
name: string;
|
|
47593
|
-
} | string)[];
|
|
47594
|
-
/**
|
|
47595
|
-
* names of the monitors for this calculation
|
|
47596
|
-
*/
|
|
47597
|
-
monitors?: ({
|
|
47598
|
-
/**
|
|
47599
|
-
* The name of this item. e.g. scf_accuracy
|
|
47600
|
-
*/
|
|
47601
|
-
name: string;
|
|
47602
|
-
} | string)[];
|
|
47603
|
-
/**
|
|
47604
|
-
* names of the results for this calculation
|
|
47605
|
-
*/
|
|
47606
|
-
results?: ({
|
|
47607
|
-
/**
|
|
47608
|
-
* The name of this item. e.g. scf_accuracy
|
|
47609
|
-
*/
|
|
47610
|
-
name: string;
|
|
47611
|
-
} | string)[];
|
|
47612
|
-
/**
|
|
47613
|
-
* entity tags
|
|
47614
|
-
*/
|
|
47615
|
-
tags?: string[];
|
|
47616
|
-
statusTrack?: {
|
|
47617
|
-
trackedAt: number;
|
|
47618
|
-
status: string;
|
|
47619
|
-
repetition?: number;
|
|
47620
|
-
}[];
|
|
47621
|
-
[k: string]: unknown;
|
|
47622
|
-
}
|
|
47623
|
-
/** Schema dist/js/schema/software_directory/ml/unit/execution/score.json */
|
|
47624
|
-
export interface TrainScoreSchema {
|
|
47625
|
-
/**
|
|
47626
|
-
* unit input (type to be specified by the application's execution unit)
|
|
47627
|
-
*/
|
|
47628
|
-
input: {
|
|
47629
|
-
[k: string]: unknown;
|
|
47630
|
-
};
|
|
47631
|
-
/**
|
|
47632
|
-
* type of the unit
|
|
47633
|
-
*/
|
|
47634
|
-
type: "execution";
|
|
47635
|
-
application: {
|
|
47636
|
-
/**
|
|
47637
|
-
* The short name of the application. e.g. qe
|
|
47638
|
-
*/
|
|
47639
|
-
shortName?: string;
|
|
47640
|
-
/**
|
|
47641
|
-
* Application's short description.
|
|
47642
|
-
*/
|
|
47643
|
-
summary?: string;
|
|
47644
|
-
/**
|
|
47645
|
-
* Application version. e.g. 5.3.5
|
|
47646
|
-
*/
|
|
47647
|
-
version?: string;
|
|
47648
|
-
/**
|
|
47649
|
-
* Application build. e.g. VTST
|
|
47650
|
-
*/
|
|
47651
|
-
build?: string;
|
|
47652
|
-
/**
|
|
47653
|
-
* Whether advanced compute options are present
|
|
47654
|
-
*/
|
|
47655
|
-
hasAdvancedComputeOptions?: boolean;
|
|
47656
|
-
/**
|
|
47657
|
-
* Whether licensing is present
|
|
47658
|
-
*/
|
|
47659
|
-
isLicensed?: boolean;
|
|
47660
|
-
/**
|
|
47661
|
-
* entity identity
|
|
47662
|
-
*/
|
|
47663
|
-
_id?: string;
|
|
47664
|
-
/**
|
|
47665
|
-
* entity slug
|
|
47666
|
-
*/
|
|
47667
|
-
slug?: string;
|
|
47668
|
-
systemName?: string;
|
|
47669
|
-
/**
|
|
47670
|
-
* entity's schema version. Used to distinct between different schemas.
|
|
47671
|
-
*/
|
|
47672
|
-
schemaVersion?: string;
|
|
47673
|
-
/**
|
|
47674
|
-
* entity name
|
|
47675
|
-
*/
|
|
47676
|
-
name?: string;
|
|
47677
|
-
/**
|
|
47678
|
-
* Identifies that entity is defaultable
|
|
47679
|
-
*/
|
|
47680
|
-
isDefault?: boolean;
|
|
47681
|
-
[k: string]: unknown;
|
|
47682
|
-
};
|
|
47683
|
-
executable?: {
|
|
47684
|
-
/**
|
|
47685
|
-
* The name of the executable. e.g. pw.x
|
|
47686
|
-
*/
|
|
47687
|
-
name: string;
|
|
47688
|
-
/**
|
|
47689
|
-
* _ids of the application this executable belongs to
|
|
47690
|
-
*/
|
|
47691
|
-
applicationId?: string[];
|
|
47692
|
-
/**
|
|
47693
|
-
* Whether advanced compute options are present
|
|
47694
|
-
*/
|
|
47695
|
-
hasAdvancedComputeOptions?: boolean;
|
|
47696
|
-
/**
|
|
47697
|
-
* entity identity
|
|
47698
|
-
*/
|
|
47699
|
-
_id?: string;
|
|
47700
|
-
/**
|
|
47701
|
-
* entity slug
|
|
47702
|
-
*/
|
|
47703
|
-
slug?: string;
|
|
47704
|
-
systemName?: string;
|
|
47705
|
-
/**
|
|
47706
|
-
* entity's schema version. Used to distinct between different schemas.
|
|
47707
|
-
*/
|
|
47708
|
-
schemaVersion?: string;
|
|
47709
|
-
/**
|
|
47710
|
-
* Identifies that entity is defaultable
|
|
47711
|
-
*/
|
|
47712
|
-
isDefault?: boolean;
|
|
47713
|
-
/**
|
|
47714
|
-
* names of the pre-processors for this calculation
|
|
47715
|
-
*/
|
|
47716
|
-
preProcessors?: ({
|
|
47717
|
-
/**
|
|
47718
|
-
* The name of this item. e.g. scf_accuracy
|
|
47719
|
-
*/
|
|
47720
|
-
name: string;
|
|
47721
|
-
} | string)[];
|
|
47722
|
-
/**
|
|
47723
|
-
* names of the post-processors for this calculation
|
|
47724
|
-
*/
|
|
47725
|
-
postProcessors?: ({
|
|
47726
|
-
/**
|
|
47727
|
-
* The name of this item. e.g. scf_accuracy
|
|
47728
|
-
*/
|
|
47729
|
-
name: string;
|
|
47730
|
-
} | string)[];
|
|
47731
|
-
/**
|
|
47732
|
-
* names of the monitors for this calculation
|
|
47733
|
-
*/
|
|
47734
|
-
monitors?: ({
|
|
47735
|
-
/**
|
|
47736
|
-
* The name of this item. e.g. scf_accuracy
|
|
47737
|
-
*/
|
|
47738
|
-
name: string;
|
|
47739
|
-
} | string)[];
|
|
47740
|
-
/**
|
|
47741
|
-
* names of the results for this calculation
|
|
47742
|
-
*/
|
|
47743
|
-
results?: ({
|
|
47744
|
-
/**
|
|
47745
|
-
* The name of this item. e.g. scf_accuracy
|
|
47746
|
-
*/
|
|
47747
|
-
name: string;
|
|
47748
|
-
} | string)[];
|
|
47749
|
-
};
|
|
47750
|
-
flavor?: {
|
|
47751
|
-
/**
|
|
47752
|
-
* _id of the executable this flavor belongs to
|
|
47753
|
-
*/
|
|
47754
|
-
executableId?: string;
|
|
47755
|
-
/**
|
|
47756
|
-
* name of the executable this flavor belongs to
|
|
47757
|
-
*/
|
|
47758
|
-
executableName?: string;
|
|
47759
|
-
/**
|
|
47760
|
-
* name of the application this flavor belongs to
|
|
47761
|
-
*/
|
|
47762
|
-
applicationName?: string;
|
|
47763
|
-
input?: {
|
|
47764
|
-
templateId?: string;
|
|
47765
|
-
templateName?: string;
|
|
47766
|
-
/**
|
|
47767
|
-
* name of the resulting input file, if different than template name
|
|
47768
|
-
*/
|
|
47769
|
-
name?: string;
|
|
47770
|
-
}[];
|
|
47771
|
-
/**
|
|
47772
|
-
* list of application versions this flavor supports
|
|
47773
|
-
*/
|
|
47774
|
-
supportedApplicationVersions?: string[];
|
|
47775
|
-
/**
|
|
47776
|
-
* entity identity
|
|
47777
|
-
*/
|
|
47778
|
-
_id?: string;
|
|
47779
|
-
/**
|
|
47780
|
-
* entity slug
|
|
47781
|
-
*/
|
|
47782
|
-
slug?: string;
|
|
47783
|
-
systemName?: string;
|
|
47784
|
-
/**
|
|
47785
|
-
* entity's schema version. Used to distinct between different schemas.
|
|
47786
|
-
*/
|
|
47787
|
-
schemaVersion?: string;
|
|
47788
|
-
/**
|
|
47789
|
-
* entity name
|
|
47790
|
-
*/
|
|
47791
|
-
name?: string;
|
|
47792
|
-
/**
|
|
47793
|
-
* Identifies that entity is defaultable
|
|
47794
|
-
*/
|
|
47795
|
-
isDefault?: boolean;
|
|
47796
|
-
/**
|
|
47797
|
-
* names of the pre-processors for this calculation
|
|
47798
|
-
*/
|
|
47799
|
-
preProcessors?: ({
|
|
47800
|
-
/**
|
|
47801
|
-
* The name of this item. e.g. scf_accuracy
|
|
47802
|
-
*/
|
|
47803
|
-
name: string;
|
|
47804
|
-
} | string)[];
|
|
47805
|
-
/**
|
|
47806
|
-
* names of the post-processors for this calculation
|
|
47807
|
-
*/
|
|
47808
|
-
postProcessors?: ({
|
|
47809
|
-
/**
|
|
47810
|
-
* The name of this item. e.g. scf_accuracy
|
|
47811
|
-
*/
|
|
47812
|
-
name: string;
|
|
47813
|
-
} | string)[];
|
|
47814
|
-
/**
|
|
47815
|
-
* names of the monitors for this calculation
|
|
47816
|
-
*/
|
|
47817
|
-
monitors?: ({
|
|
47818
|
-
/**
|
|
47819
|
-
* The name of this item. e.g. scf_accuracy
|
|
47820
|
-
*/
|
|
47821
|
-
name: string;
|
|
47822
|
-
} | string)[];
|
|
47823
|
-
/**
|
|
47824
|
-
* names of the results for this calculation
|
|
47825
|
-
*/
|
|
47826
|
-
results?: ({
|
|
47827
|
-
/**
|
|
47828
|
-
* The name of this item. e.g. scf_accuracy
|
|
47829
|
-
*/
|
|
47830
|
-
name: string;
|
|
47831
|
-
} | string)[];
|
|
47832
|
-
};
|
|
47833
|
-
/**
|
|
47834
|
-
* entity identity
|
|
47835
|
-
*/
|
|
47836
|
-
_id?: string;
|
|
47837
|
-
isDraft?: boolean;
|
|
47838
|
-
/**
|
|
47839
|
-
* name of the unit. e.g. pw_scf
|
|
47840
|
-
*/
|
|
47841
|
-
name?: string;
|
|
47842
|
-
/**
|
|
47843
|
-
* Status of the unit.
|
|
47844
|
-
*/
|
|
47845
|
-
status?: "idle" | "active" | "warning" | "error" | "finished";
|
|
47846
|
-
/**
|
|
47847
|
-
* Whether this unit is the first one to be executed.
|
|
47848
|
-
*/
|
|
47849
|
-
head?: boolean;
|
|
47850
|
-
/**
|
|
47851
|
-
* Identity of the unit in the workflow. Used to trace the execution flow of the workflow.
|
|
47852
|
-
*/
|
|
47853
|
-
flowchartId: string;
|
|
47854
|
-
/**
|
|
47855
|
-
* Next unit's flowchartId. If empty, the current unit is the last.
|
|
47856
|
-
*/
|
|
47857
|
-
next?: string;
|
|
47858
|
-
/**
|
|
47859
|
-
* Whether Rupy should attempt to use Jinja templating to add context variables into the unit
|
|
47860
|
-
*/
|
|
47861
|
-
enableRender?: boolean;
|
|
47862
|
-
context?: {};
|
|
47863
|
-
/**
|
|
47864
|
-
* entity slug
|
|
47865
|
-
*/
|
|
47866
|
-
slug?: string;
|
|
47867
|
-
systemName?: string;
|
|
47868
|
-
/**
|
|
47869
|
-
* entity's schema version. Used to distinct between different schemas.
|
|
47870
|
-
*/
|
|
47871
|
-
schemaVersion?: string;
|
|
47872
|
-
/**
|
|
47873
|
-
* Identifies that entity is defaultable
|
|
47874
|
-
*/
|
|
47875
|
-
isDefault?: boolean;
|
|
47876
|
-
/**
|
|
47877
|
-
* names of the pre-processors for this calculation
|
|
47878
|
-
*/
|
|
47879
|
-
preProcessors?: ({
|
|
47880
|
-
/**
|
|
47881
|
-
* The name of this item. e.g. scf_accuracy
|
|
47882
|
-
*/
|
|
47883
|
-
name: string;
|
|
47884
|
-
} | string)[];
|
|
47885
|
-
/**
|
|
47886
|
-
* names of the post-processors for this calculation
|
|
47887
|
-
*/
|
|
47888
|
-
postProcessors?: ({
|
|
47889
|
-
/**
|
|
47890
|
-
* The name of this item. e.g. scf_accuracy
|
|
47891
|
-
*/
|
|
47892
|
-
name: string;
|
|
47893
|
-
} | string)[];
|
|
47894
|
-
/**
|
|
47895
|
-
* names of the monitors for this calculation
|
|
47896
|
-
*/
|
|
47897
|
-
monitors?: ({
|
|
47898
|
-
/**
|
|
47899
|
-
* The name of this item. e.g. scf_accuracy
|
|
47900
|
-
*/
|
|
47901
|
-
name: string;
|
|
47902
|
-
} | string)[];
|
|
47903
|
-
/**
|
|
47904
|
-
* names of the results for this calculation
|
|
47905
|
-
*/
|
|
47906
|
-
results?: ({
|
|
47907
|
-
/**
|
|
47908
|
-
* The name of this item. e.g. scf_accuracy
|
|
47909
|
-
*/
|
|
47910
|
-
name: string;
|
|
47911
|
-
} | string)[];
|
|
47912
|
-
/**
|
|
47913
|
-
* entity tags
|
|
47914
|
-
*/
|
|
47915
|
-
tags?: string[];
|
|
47916
|
-
statusTrack?: {
|
|
47917
|
-
trackedAt: number;
|
|
47918
|
-
status: string;
|
|
47919
|
-
repetition?: number;
|
|
47920
|
-
}[];
|
|
47921
|
-
[k: string]: unknown;
|
|
47922
|
-
}
|
|
47923
|
-
/** Schema dist/js/schema/software_directory/ml/unit/execution/train.json */
|
|
47924
|
-
export interface TrainUnitSchema {
|
|
47925
|
-
/**
|
|
47926
|
-
* model train unit (NOTE: info about method, eg. regression/linear is taken from (sub)workflow)
|
|
47927
|
-
*/
|
|
47928
|
-
input: {
|
|
47929
|
-
/**
|
|
47930
|
-
* material features used for model fitting
|
|
47931
|
-
*/
|
|
47932
|
-
features: string[];
|
|
47933
|
-
/**
|
|
47934
|
-
* target properties to train for
|
|
47935
|
-
*/
|
|
47936
|
-
targets: string[];
|
|
47937
|
-
};
|
|
47938
|
-
/**
|
|
47939
|
-
* type of the unit
|
|
47940
|
-
*/
|
|
47941
|
-
type: "execution";
|
|
47942
|
-
application: {
|
|
47943
|
-
/**
|
|
47944
|
-
* The short name of the application. e.g. qe
|
|
47945
|
-
*/
|
|
47946
|
-
shortName?: string;
|
|
47947
|
-
/**
|
|
47948
|
-
* Application's short description.
|
|
47949
|
-
*/
|
|
47950
|
-
summary?: string;
|
|
47951
|
-
/**
|
|
47952
|
-
* Application version. e.g. 5.3.5
|
|
47953
|
-
*/
|
|
47954
|
-
version?: string;
|
|
47955
|
-
/**
|
|
47956
|
-
* Application build. e.g. VTST
|
|
47957
|
-
*/
|
|
47958
|
-
build?: string;
|
|
47959
|
-
/**
|
|
47960
|
-
* Whether advanced compute options are present
|
|
47961
|
-
*/
|
|
47962
|
-
hasAdvancedComputeOptions?: boolean;
|
|
47963
|
-
/**
|
|
47964
|
-
* Whether licensing is present
|
|
47965
|
-
*/
|
|
47966
|
-
isLicensed?: boolean;
|
|
47967
|
-
/**
|
|
47968
|
-
* entity identity
|
|
47969
|
-
*/
|
|
47970
|
-
_id?: string;
|
|
47971
|
-
/**
|
|
47972
|
-
* entity slug
|
|
47973
|
-
*/
|
|
47974
|
-
slug?: string;
|
|
47975
|
-
systemName?: string;
|
|
47976
|
-
/**
|
|
47977
|
-
* entity's schema version. Used to distinct between different schemas.
|
|
47978
|
-
*/
|
|
47979
|
-
schemaVersion?: string;
|
|
47980
|
-
/**
|
|
47981
|
-
* entity name
|
|
47982
|
-
*/
|
|
47983
|
-
name?: string;
|
|
47984
|
-
/**
|
|
47985
|
-
* Identifies that entity is defaultable
|
|
47986
|
-
*/
|
|
47987
|
-
isDefault?: boolean;
|
|
47988
|
-
[k: string]: unknown;
|
|
47989
|
-
};
|
|
47990
|
-
executable?: {
|
|
47991
|
-
/**
|
|
47992
|
-
* The name of the executable. e.g. pw.x
|
|
47993
|
-
*/
|
|
47994
|
-
name: string;
|
|
47995
|
-
/**
|
|
47996
|
-
* _ids of the application this executable belongs to
|
|
47997
|
-
*/
|
|
47998
|
-
applicationId?: string[];
|
|
47999
|
-
/**
|
|
48000
|
-
* Whether advanced compute options are present
|
|
48001
|
-
*/
|
|
48002
|
-
hasAdvancedComputeOptions?: boolean;
|
|
48003
|
-
/**
|
|
48004
|
-
* entity identity
|
|
48005
|
-
*/
|
|
48006
|
-
_id?: string;
|
|
48007
|
-
/**
|
|
48008
|
-
* entity slug
|
|
48009
|
-
*/
|
|
48010
|
-
slug?: string;
|
|
48011
|
-
systemName?: string;
|
|
48012
|
-
/**
|
|
48013
|
-
* entity's schema version. Used to distinct between different schemas.
|
|
48014
|
-
*/
|
|
48015
|
-
schemaVersion?: string;
|
|
48016
|
-
/**
|
|
48017
|
-
* Identifies that entity is defaultable
|
|
48018
|
-
*/
|
|
48019
|
-
isDefault?: boolean;
|
|
48020
|
-
/**
|
|
48021
|
-
* names of the pre-processors for this calculation
|
|
48022
|
-
*/
|
|
48023
|
-
preProcessors?: ({
|
|
48024
|
-
/**
|
|
48025
|
-
* The name of this item. e.g. scf_accuracy
|
|
48026
|
-
*/
|
|
48027
|
-
name: string;
|
|
48028
|
-
} | string)[];
|
|
48029
|
-
/**
|
|
48030
|
-
* names of the post-processors for this calculation
|
|
48031
|
-
*/
|
|
48032
|
-
postProcessors?: ({
|
|
48033
|
-
/**
|
|
48034
|
-
* The name of this item. e.g. scf_accuracy
|
|
48035
|
-
*/
|
|
48036
|
-
name: string;
|
|
48037
|
-
} | string)[];
|
|
48038
|
-
/**
|
|
48039
|
-
* names of the monitors for this calculation
|
|
48040
|
-
*/
|
|
48041
|
-
monitors?: ({
|
|
48042
|
-
/**
|
|
48043
|
-
* The name of this item. e.g. scf_accuracy
|
|
48044
|
-
*/
|
|
48045
|
-
name: string;
|
|
48046
|
-
} | string)[];
|
|
48047
|
-
/**
|
|
48048
|
-
* names of the results for this calculation
|
|
48049
|
-
*/
|
|
48050
|
-
results?: ({
|
|
48051
|
-
/**
|
|
48052
|
-
* The name of this item. e.g. scf_accuracy
|
|
48053
|
-
*/
|
|
48054
|
-
name: string;
|
|
48055
|
-
} | string)[];
|
|
48056
|
-
};
|
|
48057
|
-
flavor?: {
|
|
48058
|
-
/**
|
|
48059
|
-
* _id of the executable this flavor belongs to
|
|
48060
|
-
*/
|
|
48061
|
-
executableId?: string;
|
|
48062
|
-
/**
|
|
48063
|
-
* name of the executable this flavor belongs to
|
|
48064
|
-
*/
|
|
48065
|
-
executableName?: string;
|
|
48066
|
-
/**
|
|
48067
|
-
* name of the application this flavor belongs to
|
|
48068
|
-
*/
|
|
48069
|
-
applicationName?: string;
|
|
48070
|
-
input?: {
|
|
48071
|
-
templateId?: string;
|
|
48072
|
-
templateName?: string;
|
|
48073
|
-
/**
|
|
48074
|
-
* name of the resulting input file, if different than template name
|
|
48075
|
-
*/
|
|
48076
|
-
name?: string;
|
|
48077
|
-
}[];
|
|
48078
|
-
/**
|
|
48079
|
-
* list of application versions this flavor supports
|
|
48080
|
-
*/
|
|
48081
|
-
supportedApplicationVersions?: string[];
|
|
48082
|
-
/**
|
|
48083
|
-
* entity identity
|
|
48084
|
-
*/
|
|
48085
|
-
_id?: string;
|
|
48086
|
-
/**
|
|
48087
|
-
* entity slug
|
|
48088
|
-
*/
|
|
48089
|
-
slug?: string;
|
|
48090
|
-
systemName?: string;
|
|
48091
|
-
/**
|
|
48092
|
-
* entity's schema version. Used to distinct between different schemas.
|
|
48093
|
-
*/
|
|
48094
|
-
schemaVersion?: string;
|
|
48095
|
-
/**
|
|
48096
|
-
* entity name
|
|
48097
|
-
*/
|
|
48098
|
-
name?: string;
|
|
48099
|
-
/**
|
|
48100
|
-
* Identifies that entity is defaultable
|
|
48101
|
-
*/
|
|
48102
|
-
isDefault?: boolean;
|
|
48103
|
-
/**
|
|
48104
|
-
* names of the pre-processors for this calculation
|
|
48105
|
-
*/
|
|
48106
|
-
preProcessors?: ({
|
|
48107
|
-
/**
|
|
48108
|
-
* The name of this item. e.g. scf_accuracy
|
|
48109
|
-
*/
|
|
48110
|
-
name: string;
|
|
48111
|
-
} | string)[];
|
|
48112
|
-
/**
|
|
48113
|
-
* names of the post-processors for this calculation
|
|
48114
|
-
*/
|
|
48115
|
-
postProcessors?: ({
|
|
48116
|
-
/**
|
|
48117
|
-
* The name of this item. e.g. scf_accuracy
|
|
48118
|
-
*/
|
|
48119
|
-
name: string;
|
|
48120
|
-
} | string)[];
|
|
48121
|
-
/**
|
|
48122
|
-
* names of the monitors for this calculation
|
|
48123
|
-
*/
|
|
48124
|
-
monitors?: ({
|
|
48125
|
-
/**
|
|
48126
|
-
* The name of this item. e.g. scf_accuracy
|
|
48127
|
-
*/
|
|
48128
|
-
name: string;
|
|
48129
|
-
} | string)[];
|
|
48130
|
-
/**
|
|
48131
|
-
* names of the results for this calculation
|
|
48132
|
-
*/
|
|
48133
|
-
results?: ({
|
|
48134
|
-
/**
|
|
48135
|
-
* The name of this item. e.g. scf_accuracy
|
|
48136
|
-
*/
|
|
48137
|
-
name: string;
|
|
48138
|
-
} | string)[];
|
|
48139
|
-
};
|
|
48140
|
-
/**
|
|
48141
|
-
* entity identity
|
|
48142
|
-
*/
|
|
48143
|
-
_id?: string;
|
|
48144
|
-
isDraft?: boolean;
|
|
48145
|
-
/**
|
|
48146
|
-
* name of the unit. e.g. pw_scf
|
|
48147
|
-
*/
|
|
48148
|
-
name?: string;
|
|
48149
|
-
/**
|
|
48150
|
-
* Status of the unit.
|
|
48151
|
-
*/
|
|
48152
|
-
status?: "idle" | "active" | "warning" | "error" | "finished";
|
|
48153
|
-
/**
|
|
48154
|
-
* Whether this unit is the first one to be executed.
|
|
48155
|
-
*/
|
|
48156
|
-
head?: boolean;
|
|
48157
|
-
/**
|
|
48158
|
-
* Identity of the unit in the workflow. Used to trace the execution flow of the workflow.
|
|
48159
|
-
*/
|
|
48160
|
-
flowchartId: string;
|
|
48161
|
-
/**
|
|
48162
|
-
* Next unit's flowchartId. If empty, the current unit is the last.
|
|
48163
|
-
*/
|
|
48164
|
-
next?: string;
|
|
48165
|
-
/**
|
|
48166
|
-
* Whether Rupy should attempt to use Jinja templating to add context variables into the unit
|
|
48167
|
-
*/
|
|
48168
|
-
enableRender?: boolean;
|
|
48169
|
-
context?: {};
|
|
48170
|
-
/**
|
|
48171
|
-
* entity slug
|
|
48172
|
-
*/
|
|
48173
|
-
slug?: string;
|
|
48174
|
-
systemName?: string;
|
|
48175
|
-
/**
|
|
48176
|
-
* entity's schema version. Used to distinct between different schemas.
|
|
48177
|
-
*/
|
|
48178
|
-
schemaVersion?: string;
|
|
48179
|
-
/**
|
|
48180
|
-
* Identifies that entity is defaultable
|
|
48181
|
-
*/
|
|
48182
|
-
isDefault?: boolean;
|
|
48183
|
-
/**
|
|
48184
|
-
* names of the pre-processors for this calculation
|
|
48185
|
-
*/
|
|
48186
|
-
preProcessors?: ({
|
|
48187
|
-
/**
|
|
48188
|
-
* The name of this item. e.g. scf_accuracy
|
|
48189
|
-
*/
|
|
48190
|
-
name: string;
|
|
48191
|
-
} | string)[];
|
|
48192
|
-
/**
|
|
48193
|
-
* names of the post-processors for this calculation
|
|
48194
|
-
*/
|
|
48195
|
-
postProcessors?: ({
|
|
48196
|
-
/**
|
|
48197
|
-
* The name of this item. e.g. scf_accuracy
|
|
48198
|
-
*/
|
|
48199
|
-
name: string;
|
|
48200
|
-
} | string)[];
|
|
48201
|
-
/**
|
|
48202
|
-
* names of the monitors for this calculation
|
|
48203
|
-
*/
|
|
48204
|
-
monitors?: ({
|
|
48205
|
-
/**
|
|
48206
|
-
* The name of this item. e.g. scf_accuracy
|
|
48207
|
-
*/
|
|
48208
|
-
name: string;
|
|
48209
|
-
} | string)[];
|
|
48210
|
-
/**
|
|
48211
|
-
* names of the results for this calculation
|
|
48212
|
-
*/
|
|
48213
|
-
results?: ({
|
|
48214
|
-
/**
|
|
48215
|
-
* The name of this item. e.g. scf_accuracy
|
|
48216
|
-
*/
|
|
48217
|
-
name: string;
|
|
48218
|
-
} | string)[];
|
|
48219
|
-
/**
|
|
48220
|
-
* entity tags
|
|
48221
|
-
*/
|
|
48222
|
-
tags?: string[];
|
|
48223
|
-
statusTrack?: {
|
|
48224
|
-
trackedAt: number;
|
|
48225
|
-
status: string;
|
|
48226
|
-
repetition?: number;
|
|
48227
|
-
}[];
|
|
48228
|
-
[k: string]: unknown;
|
|
48229
|
-
}
|
|
48230
|
-
/** Schema dist/js/schema/software_directory/ml/unit/execution.json */
|
|
48231
|
-
export type SoftwareDirectoryMlUnitExecution = {
|
|
48232
|
-
/**
|
|
48233
|
-
* TODO: consider keeping executable `evaluate` and flavor `cross-validate` as before
|
|
48234
|
-
*/
|
|
48235
|
-
input: {
|
|
48236
|
-
/**
|
|
48237
|
-
* number of groups to split the training dataset for cross-validation
|
|
48238
|
-
*/
|
|
48239
|
-
nSplits: number;
|
|
48240
|
-
};
|
|
48241
|
-
/**
|
|
48242
|
-
* type of the unit
|
|
48243
|
-
*/
|
|
48244
|
-
type: "execution";
|
|
48245
|
-
application: {
|
|
48246
|
-
/**
|
|
48247
|
-
* The short name of the application. e.g. qe
|
|
48248
|
-
*/
|
|
48249
|
-
shortName?: string;
|
|
48250
|
-
/**
|
|
48251
|
-
* Application's short description.
|
|
48252
|
-
*/
|
|
48253
|
-
summary?: string;
|
|
48254
|
-
/**
|
|
48255
|
-
* Application version. e.g. 5.3.5
|
|
48256
|
-
*/
|
|
48257
|
-
version?: string;
|
|
48258
|
-
/**
|
|
48259
|
-
* Application build. e.g. VTST
|
|
48260
|
-
*/
|
|
48261
|
-
build?: string;
|
|
48262
|
-
/**
|
|
48263
|
-
* Whether advanced compute options are present
|
|
48264
|
-
*/
|
|
48265
|
-
hasAdvancedComputeOptions?: boolean;
|
|
48266
|
-
/**
|
|
48267
|
-
* Whether licensing is present
|
|
48268
|
-
*/
|
|
48269
|
-
isLicensed?: boolean;
|
|
48270
|
-
/**
|
|
48271
|
-
* entity identity
|
|
48272
|
-
*/
|
|
48273
|
-
_id?: string;
|
|
48274
|
-
/**
|
|
48275
|
-
* entity slug
|
|
48276
|
-
*/
|
|
48277
|
-
slug?: string;
|
|
48278
|
-
systemName?: string;
|
|
48279
|
-
/**
|
|
48280
|
-
* entity's schema version. Used to distinct between different schemas.
|
|
48281
|
-
*/
|
|
48282
|
-
schemaVersion?: string;
|
|
48283
|
-
/**
|
|
48284
|
-
* entity name
|
|
48285
|
-
*/
|
|
48286
|
-
name?: string;
|
|
48287
|
-
/**
|
|
48288
|
-
* Identifies that entity is defaultable
|
|
48289
|
-
*/
|
|
48290
|
-
isDefault?: boolean;
|
|
48291
|
-
[k: string]: unknown;
|
|
48292
|
-
};
|
|
48293
|
-
executable?: {
|
|
48294
|
-
/**
|
|
48295
|
-
* The name of the executable. e.g. pw.x
|
|
48296
|
-
*/
|
|
48297
|
-
name: string;
|
|
48298
|
-
/**
|
|
48299
|
-
* _ids of the application this executable belongs to
|
|
48300
|
-
*/
|
|
48301
|
-
applicationId?: string[];
|
|
48302
|
-
/**
|
|
48303
|
-
* Whether advanced compute options are present
|
|
48304
|
-
*/
|
|
48305
|
-
hasAdvancedComputeOptions?: boolean;
|
|
48306
|
-
/**
|
|
48307
|
-
* entity identity
|
|
48308
|
-
*/
|
|
48309
|
-
_id?: string;
|
|
48310
|
-
/**
|
|
48311
|
-
* entity slug
|
|
48312
|
-
*/
|
|
48313
|
-
slug?: string;
|
|
48314
|
-
systemName?: string;
|
|
48315
|
-
/**
|
|
48316
|
-
* entity's schema version. Used to distinct between different schemas.
|
|
48317
|
-
*/
|
|
48318
|
-
schemaVersion?: string;
|
|
48319
|
-
/**
|
|
48320
|
-
* Identifies that entity is defaultable
|
|
48321
|
-
*/
|
|
48322
|
-
isDefault?: boolean;
|
|
48323
|
-
/**
|
|
48324
|
-
* names of the pre-processors for this calculation
|
|
48325
|
-
*/
|
|
48326
|
-
preProcessors?: ({
|
|
48327
|
-
/**
|
|
48328
|
-
* The name of this item. e.g. scf_accuracy
|
|
48329
|
-
*/
|
|
48330
|
-
name: string;
|
|
48331
|
-
} | string)[];
|
|
48332
|
-
/**
|
|
48333
|
-
* names of the post-processors for this calculation
|
|
48334
|
-
*/
|
|
48335
|
-
postProcessors?: ({
|
|
48336
|
-
/**
|
|
48337
|
-
* The name of this item. e.g. scf_accuracy
|
|
48338
|
-
*/
|
|
48339
|
-
name: string;
|
|
48340
|
-
} | string)[];
|
|
48341
|
-
/**
|
|
48342
|
-
* names of the monitors for this calculation
|
|
48343
|
-
*/
|
|
48344
|
-
monitors?: ({
|
|
48345
|
-
/**
|
|
48346
|
-
* The name of this item. e.g. scf_accuracy
|
|
48347
|
-
*/
|
|
48348
|
-
name: string;
|
|
48349
|
-
} | string)[];
|
|
48350
|
-
/**
|
|
48351
|
-
* names of the results for this calculation
|
|
48352
|
-
*/
|
|
48353
|
-
results?: ({
|
|
48354
|
-
/**
|
|
48355
|
-
* The name of this item. e.g. scf_accuracy
|
|
48356
|
-
*/
|
|
48357
|
-
name: string;
|
|
48358
|
-
} | string)[];
|
|
48359
|
-
};
|
|
48360
|
-
flavor?: {
|
|
48361
|
-
/**
|
|
48362
|
-
* _id of the executable this flavor belongs to
|
|
48363
|
-
*/
|
|
48364
|
-
executableId?: string;
|
|
48365
|
-
/**
|
|
48366
|
-
* name of the executable this flavor belongs to
|
|
48367
|
-
*/
|
|
48368
|
-
executableName?: string;
|
|
48369
|
-
/**
|
|
48370
|
-
* name of the application this flavor belongs to
|
|
48371
|
-
*/
|
|
48372
|
-
applicationName?: string;
|
|
48373
|
-
input?: {
|
|
48374
|
-
templateId?: string;
|
|
48375
|
-
templateName?: string;
|
|
48376
|
-
/**
|
|
48377
|
-
* name of the resulting input file, if different than template name
|
|
48378
|
-
*/
|
|
48379
|
-
name?: string;
|
|
48380
|
-
}[];
|
|
48381
|
-
/**
|
|
48382
|
-
* list of application versions this flavor supports
|
|
48383
|
-
*/
|
|
48384
|
-
supportedApplicationVersions?: string[];
|
|
48385
|
-
/**
|
|
48386
|
-
* entity identity
|
|
48387
|
-
*/
|
|
48388
|
-
_id?: string;
|
|
48389
|
-
/**
|
|
48390
|
-
* entity slug
|
|
48391
|
-
*/
|
|
48392
|
-
slug?: string;
|
|
48393
|
-
systemName?: string;
|
|
48394
|
-
/**
|
|
48395
|
-
* entity's schema version. Used to distinct between different schemas.
|
|
48396
|
-
*/
|
|
48397
|
-
schemaVersion?: string;
|
|
48398
|
-
/**
|
|
48399
|
-
* entity name
|
|
48400
|
-
*/
|
|
48401
|
-
name?: string;
|
|
48402
|
-
/**
|
|
48403
|
-
* Identifies that entity is defaultable
|
|
48404
|
-
*/
|
|
48405
|
-
isDefault?: boolean;
|
|
48406
|
-
/**
|
|
48407
|
-
* names of the pre-processors for this calculation
|
|
48408
|
-
*/
|
|
48409
|
-
preProcessors?: ({
|
|
48410
|
-
/**
|
|
48411
|
-
* The name of this item. e.g. scf_accuracy
|
|
48412
|
-
*/
|
|
48413
|
-
name: string;
|
|
48414
|
-
} | string)[];
|
|
48415
|
-
/**
|
|
48416
|
-
* names of the post-processors for this calculation
|
|
48417
|
-
*/
|
|
48418
|
-
postProcessors?: ({
|
|
48419
|
-
/**
|
|
48420
|
-
* The name of this item. e.g. scf_accuracy
|
|
48421
|
-
*/
|
|
48422
|
-
name: string;
|
|
48423
|
-
} | string)[];
|
|
48424
|
-
/**
|
|
48425
|
-
* names of the monitors for this calculation
|
|
48426
|
-
*/
|
|
48427
|
-
monitors?: ({
|
|
48428
|
-
/**
|
|
48429
|
-
* The name of this item. e.g. scf_accuracy
|
|
48430
|
-
*/
|
|
48431
|
-
name: string;
|
|
48432
|
-
} | string)[];
|
|
48433
|
-
/**
|
|
48434
|
-
* names of the results for this calculation
|
|
48435
|
-
*/
|
|
48436
|
-
results?: ({
|
|
48437
|
-
/**
|
|
48438
|
-
* The name of this item. e.g. scf_accuracy
|
|
48439
|
-
*/
|
|
48440
|
-
name: string;
|
|
48441
|
-
} | string)[];
|
|
48442
|
-
};
|
|
48443
|
-
/**
|
|
48444
|
-
* entity identity
|
|
48445
|
-
*/
|
|
48446
|
-
_id?: string;
|
|
48447
|
-
isDraft?: boolean;
|
|
48448
|
-
/**
|
|
48449
|
-
* name of the unit. e.g. pw_scf
|
|
48450
|
-
*/
|
|
48451
|
-
name?: string;
|
|
48452
|
-
/**
|
|
48453
|
-
* Status of the unit.
|
|
48454
|
-
*/
|
|
48455
|
-
status?: "idle" | "active" | "warning" | "error" | "finished";
|
|
48456
|
-
/**
|
|
48457
|
-
* Whether this unit is the first one to be executed.
|
|
48458
|
-
*/
|
|
48459
|
-
head?: boolean;
|
|
48460
|
-
/**
|
|
48461
|
-
* Identity of the unit in the workflow. Used to trace the execution flow of the workflow.
|
|
48462
|
-
*/
|
|
48463
|
-
flowchartId: string;
|
|
48464
|
-
/**
|
|
48465
|
-
* Next unit's flowchartId. If empty, the current unit is the last.
|
|
48466
|
-
*/
|
|
48467
|
-
next?: string;
|
|
48468
|
-
/**
|
|
48469
|
-
* Whether Rupy should attempt to use Jinja templating to add context variables into the unit
|
|
48470
|
-
*/
|
|
48471
|
-
enableRender?: boolean;
|
|
48472
|
-
context?: {};
|
|
48473
|
-
/**
|
|
48474
|
-
* entity slug
|
|
48475
|
-
*/
|
|
48476
|
-
slug?: string;
|
|
48477
|
-
systemName?: string;
|
|
48478
|
-
/**
|
|
48479
|
-
* entity's schema version. Used to distinct between different schemas.
|
|
48480
|
-
*/
|
|
48481
|
-
schemaVersion?: string;
|
|
48482
|
-
/**
|
|
48483
|
-
* Identifies that entity is defaultable
|
|
48484
|
-
*/
|
|
48485
|
-
isDefault?: boolean;
|
|
48486
|
-
/**
|
|
48487
|
-
* names of the pre-processors for this calculation
|
|
48488
|
-
*/
|
|
48489
|
-
preProcessors?: ({
|
|
48490
|
-
/**
|
|
48491
|
-
* The name of this item. e.g. scf_accuracy
|
|
48492
|
-
*/
|
|
48493
|
-
name: string;
|
|
48494
|
-
} | string)[];
|
|
48495
|
-
/**
|
|
48496
|
-
* names of the post-processors for this calculation
|
|
48497
|
-
*/
|
|
48498
|
-
postProcessors?: ({
|
|
48499
|
-
/**
|
|
48500
|
-
* The name of this item. e.g. scf_accuracy
|
|
48501
|
-
*/
|
|
48502
|
-
name: string;
|
|
48503
|
-
} | string)[];
|
|
48504
|
-
/**
|
|
48505
|
-
* names of the monitors for this calculation
|
|
48506
|
-
*/
|
|
48507
|
-
monitors?: ({
|
|
48508
|
-
/**
|
|
48509
|
-
* The name of this item. e.g. scf_accuracy
|
|
48510
|
-
*/
|
|
48511
|
-
name: string;
|
|
48512
|
-
} | string)[];
|
|
48513
|
-
/**
|
|
48514
|
-
* names of the results for this calculation
|
|
48515
|
-
*/
|
|
48516
|
-
results?: ({
|
|
48517
|
-
/**
|
|
48518
|
-
* The name of this item. e.g. scf_accuracy
|
|
48519
|
-
*/
|
|
48520
|
-
name: string;
|
|
48521
|
-
} | string)[];
|
|
48522
|
-
/**
|
|
48523
|
-
* entity tags
|
|
48524
|
-
*/
|
|
48525
|
-
tags?: string[];
|
|
48526
|
-
statusTrack?: {
|
|
48527
|
-
trackedAt: number;
|
|
48528
|
-
status: string;
|
|
48529
|
-
repetition?: number;
|
|
48530
|
-
}[];
|
|
48531
|
-
[k: string]: unknown;
|
|
48532
|
-
} | {
|
|
48533
|
-
/**
|
|
48534
|
-
* model train unit (NOTE: info about method, eg. regression/linear is taken from (sub)workflow)
|
|
48535
|
-
*/
|
|
48536
|
-
input: {
|
|
48537
|
-
/**
|
|
48538
|
-
* material features used for model fitting
|
|
48539
|
-
*/
|
|
48540
|
-
features: string[];
|
|
48541
|
-
/**
|
|
48542
|
-
* target properties to train for
|
|
48543
|
-
*/
|
|
48544
|
-
targets: string[];
|
|
48545
|
-
};
|
|
48546
|
-
/**
|
|
48547
|
-
* type of the unit
|
|
48548
|
-
*/
|
|
48549
|
-
type: "execution";
|
|
48550
|
-
application: {
|
|
48551
|
-
/**
|
|
48552
|
-
* The short name of the application. e.g. qe
|
|
48553
|
-
*/
|
|
48554
|
-
shortName?: string;
|
|
48555
|
-
/**
|
|
48556
|
-
* Application's short description.
|
|
48557
|
-
*/
|
|
48558
|
-
summary?: string;
|
|
48559
|
-
/**
|
|
48560
|
-
* Application version. e.g. 5.3.5
|
|
48561
|
-
*/
|
|
48562
|
-
version?: string;
|
|
48563
|
-
/**
|
|
48564
|
-
* Application build. e.g. VTST
|
|
48565
|
-
*/
|
|
48566
|
-
build?: string;
|
|
48567
|
-
/**
|
|
48568
|
-
* Whether advanced compute options are present
|
|
48569
|
-
*/
|
|
48570
|
-
hasAdvancedComputeOptions?: boolean;
|
|
48571
|
-
/**
|
|
48572
|
-
* Whether licensing is present
|
|
48573
|
-
*/
|
|
48574
|
-
isLicensed?: boolean;
|
|
48575
|
-
/**
|
|
48576
|
-
* entity identity
|
|
48577
|
-
*/
|
|
48578
|
-
_id?: string;
|
|
48579
|
-
/**
|
|
48580
|
-
* entity slug
|
|
48581
|
-
*/
|
|
48582
|
-
slug?: string;
|
|
48583
|
-
systemName?: string;
|
|
48584
|
-
/**
|
|
48585
|
-
* entity's schema version. Used to distinct between different schemas.
|
|
48586
|
-
*/
|
|
48587
|
-
schemaVersion?: string;
|
|
48588
|
-
/**
|
|
48589
|
-
* entity name
|
|
48590
|
-
*/
|
|
48591
|
-
name?: string;
|
|
48592
|
-
/**
|
|
48593
|
-
* Identifies that entity is defaultable
|
|
48594
|
-
*/
|
|
48595
|
-
isDefault?: boolean;
|
|
48596
|
-
[k: string]: unknown;
|
|
48597
|
-
};
|
|
48598
|
-
executable?: {
|
|
48599
|
-
/**
|
|
48600
|
-
* The name of the executable. e.g. pw.x
|
|
48601
|
-
*/
|
|
48602
|
-
name: string;
|
|
48603
|
-
/**
|
|
48604
|
-
* _ids of the application this executable belongs to
|
|
48605
|
-
*/
|
|
48606
|
-
applicationId?: string[];
|
|
48607
|
-
/**
|
|
48608
|
-
* Whether advanced compute options are present
|
|
48609
|
-
*/
|
|
48610
|
-
hasAdvancedComputeOptions?: boolean;
|
|
48611
|
-
/**
|
|
48612
|
-
* entity identity
|
|
48613
|
-
*/
|
|
48614
|
-
_id?: string;
|
|
48615
|
-
/**
|
|
48616
|
-
* entity slug
|
|
48617
|
-
*/
|
|
48618
|
-
slug?: string;
|
|
48619
|
-
systemName?: string;
|
|
48620
|
-
/**
|
|
48621
|
-
* entity's schema version. Used to distinct between different schemas.
|
|
48622
|
-
*/
|
|
48623
|
-
schemaVersion?: string;
|
|
48624
|
-
/**
|
|
48625
|
-
* Identifies that entity is defaultable
|
|
48626
|
-
*/
|
|
48627
|
-
isDefault?: boolean;
|
|
48628
|
-
/**
|
|
48629
|
-
* names of the pre-processors for this calculation
|
|
48630
|
-
*/
|
|
48631
|
-
preProcessors?: ({
|
|
48632
|
-
/**
|
|
48633
|
-
* The name of this item. e.g. scf_accuracy
|
|
48634
|
-
*/
|
|
48635
|
-
name: string;
|
|
48636
|
-
} | string)[];
|
|
48637
|
-
/**
|
|
48638
|
-
* names of the post-processors for this calculation
|
|
48639
|
-
*/
|
|
48640
|
-
postProcessors?: ({
|
|
48641
|
-
/**
|
|
48642
|
-
* The name of this item. e.g. scf_accuracy
|
|
48643
|
-
*/
|
|
48644
|
-
name: string;
|
|
48645
|
-
} | string)[];
|
|
48646
|
-
/**
|
|
48647
|
-
* names of the monitors for this calculation
|
|
48648
|
-
*/
|
|
48649
|
-
monitors?: ({
|
|
48650
|
-
/**
|
|
48651
|
-
* The name of this item. e.g. scf_accuracy
|
|
48652
|
-
*/
|
|
48653
|
-
name: string;
|
|
48654
|
-
} | string)[];
|
|
48655
|
-
/**
|
|
48656
|
-
* names of the results for this calculation
|
|
48657
|
-
*/
|
|
48658
|
-
results?: ({
|
|
48659
|
-
/**
|
|
48660
|
-
* The name of this item. e.g. scf_accuracy
|
|
48661
|
-
*/
|
|
48662
|
-
name: string;
|
|
48663
|
-
} | string)[];
|
|
48664
|
-
};
|
|
48665
|
-
flavor?: {
|
|
48666
|
-
/**
|
|
48667
|
-
* _id of the executable this flavor belongs to
|
|
48668
|
-
*/
|
|
48669
|
-
executableId?: string;
|
|
48670
|
-
/**
|
|
48671
|
-
* name of the executable this flavor belongs to
|
|
48672
|
-
*/
|
|
48673
|
-
executableName?: string;
|
|
48674
|
-
/**
|
|
48675
|
-
* name of the application this flavor belongs to
|
|
48676
|
-
*/
|
|
48677
|
-
applicationName?: string;
|
|
48678
|
-
input?: {
|
|
48679
|
-
templateId?: string;
|
|
48680
|
-
templateName?: string;
|
|
48681
|
-
/**
|
|
48682
|
-
* name of the resulting input file, if different than template name
|
|
48683
|
-
*/
|
|
48684
|
-
name?: string;
|
|
48685
|
-
}[];
|
|
48686
|
-
/**
|
|
48687
|
-
* list of application versions this flavor supports
|
|
48688
|
-
*/
|
|
48689
|
-
supportedApplicationVersions?: string[];
|
|
48690
|
-
/**
|
|
48691
|
-
* entity identity
|
|
48692
|
-
*/
|
|
48693
|
-
_id?: string;
|
|
48694
|
-
/**
|
|
48695
|
-
* entity slug
|
|
48696
|
-
*/
|
|
48697
|
-
slug?: string;
|
|
48698
|
-
systemName?: string;
|
|
48699
|
-
/**
|
|
48700
|
-
* entity's schema version. Used to distinct between different schemas.
|
|
48701
|
-
*/
|
|
48702
|
-
schemaVersion?: string;
|
|
48703
|
-
/**
|
|
48704
|
-
* entity name
|
|
48705
|
-
*/
|
|
48706
|
-
name?: string;
|
|
48707
|
-
/**
|
|
48708
|
-
* Identifies that entity is defaultable
|
|
48709
|
-
*/
|
|
48710
|
-
isDefault?: boolean;
|
|
48711
|
-
/**
|
|
48712
|
-
* names of the pre-processors for this calculation
|
|
48713
|
-
*/
|
|
48714
|
-
preProcessors?: ({
|
|
48715
|
-
/**
|
|
48716
|
-
* The name of this item. e.g. scf_accuracy
|
|
48717
|
-
*/
|
|
48718
|
-
name: string;
|
|
48719
|
-
} | string)[];
|
|
48720
|
-
/**
|
|
48721
|
-
* names of the post-processors for this calculation
|
|
48722
|
-
*/
|
|
48723
|
-
postProcessors?: ({
|
|
48724
|
-
/**
|
|
48725
|
-
* The name of this item. e.g. scf_accuracy
|
|
48726
|
-
*/
|
|
48727
|
-
name: string;
|
|
48728
|
-
} | string)[];
|
|
48729
|
-
/**
|
|
48730
|
-
* names of the monitors for this calculation
|
|
48731
|
-
*/
|
|
48732
|
-
monitors?: ({
|
|
48733
|
-
/**
|
|
48734
|
-
* The name of this item. e.g. scf_accuracy
|
|
48735
|
-
*/
|
|
48736
|
-
name: string;
|
|
48737
|
-
} | string)[];
|
|
48738
|
-
/**
|
|
48739
|
-
* names of the results for this calculation
|
|
48740
|
-
*/
|
|
48741
|
-
results?: ({
|
|
48742
|
-
/**
|
|
48743
|
-
* The name of this item. e.g. scf_accuracy
|
|
48744
|
-
*/
|
|
48745
|
-
name: string;
|
|
48746
|
-
} | string)[];
|
|
48747
|
-
};
|
|
48748
|
-
/**
|
|
48749
|
-
* entity identity
|
|
48750
|
-
*/
|
|
48751
|
-
_id?: string;
|
|
48752
|
-
isDraft?: boolean;
|
|
48753
|
-
/**
|
|
48754
|
-
* name of the unit. e.g. pw_scf
|
|
48755
|
-
*/
|
|
48756
|
-
name?: string;
|
|
48757
|
-
/**
|
|
48758
|
-
* Status of the unit.
|
|
48759
|
-
*/
|
|
48760
|
-
status?: "idle" | "active" | "warning" | "error" | "finished";
|
|
48761
|
-
/**
|
|
48762
|
-
* Whether this unit is the first one to be executed.
|
|
48763
|
-
*/
|
|
48764
|
-
head?: boolean;
|
|
48765
|
-
/**
|
|
48766
|
-
* Identity of the unit in the workflow. Used to trace the execution flow of the workflow.
|
|
48767
|
-
*/
|
|
48768
|
-
flowchartId: string;
|
|
48769
|
-
/**
|
|
48770
|
-
* Next unit's flowchartId. If empty, the current unit is the last.
|
|
48771
|
-
*/
|
|
48772
|
-
next?: string;
|
|
48773
|
-
/**
|
|
48774
|
-
* Whether Rupy should attempt to use Jinja templating to add context variables into the unit
|
|
48775
|
-
*/
|
|
48776
|
-
enableRender?: boolean;
|
|
48777
|
-
context?: {};
|
|
48778
|
-
/**
|
|
48779
|
-
* entity slug
|
|
48780
|
-
*/
|
|
48781
|
-
slug?: string;
|
|
48782
|
-
systemName?: string;
|
|
48783
|
-
/**
|
|
48784
|
-
* entity's schema version. Used to distinct between different schemas.
|
|
48785
|
-
*/
|
|
48786
|
-
schemaVersion?: string;
|
|
48787
|
-
/**
|
|
48788
|
-
* Identifies that entity is defaultable
|
|
48789
|
-
*/
|
|
48790
|
-
isDefault?: boolean;
|
|
48791
|
-
/**
|
|
48792
|
-
* names of the pre-processors for this calculation
|
|
48793
|
-
*/
|
|
48794
|
-
preProcessors?: ({
|
|
48795
|
-
/**
|
|
48796
|
-
* The name of this item. e.g. scf_accuracy
|
|
48797
|
-
*/
|
|
48798
|
-
name: string;
|
|
48799
|
-
} | string)[];
|
|
48800
|
-
/**
|
|
48801
|
-
* names of the post-processors for this calculation
|
|
48802
|
-
*/
|
|
48803
|
-
postProcessors?: ({
|
|
48804
|
-
/**
|
|
48805
|
-
* The name of this item. e.g. scf_accuracy
|
|
48806
|
-
*/
|
|
48807
|
-
name: string;
|
|
48808
|
-
} | string)[];
|
|
48809
|
-
/**
|
|
48810
|
-
* names of the monitors for this calculation
|
|
48811
|
-
*/
|
|
48812
|
-
monitors?: ({
|
|
48813
|
-
/**
|
|
48814
|
-
* The name of this item. e.g. scf_accuracy
|
|
48815
|
-
*/
|
|
48816
|
-
name: string;
|
|
48817
|
-
} | string)[];
|
|
48818
|
-
/**
|
|
48819
|
-
* names of the results for this calculation
|
|
48820
|
-
*/
|
|
48821
|
-
results?: ({
|
|
48822
|
-
/**
|
|
48823
|
-
* The name of this item. e.g. scf_accuracy
|
|
48824
|
-
*/
|
|
48825
|
-
name: string;
|
|
48826
|
-
} | string)[];
|
|
48827
|
-
/**
|
|
48828
|
-
* entity tags
|
|
48829
|
-
*/
|
|
48830
|
-
tags?: string[];
|
|
48831
|
-
statusTrack?: {
|
|
48832
|
-
trackedAt: number;
|
|
48833
|
-
status: string;
|
|
48834
|
-
repetition?: number;
|
|
48835
|
-
}[];
|
|
48836
|
-
[k: string]: unknown;
|
|
48837
|
-
} | {
|
|
48838
|
-
/**
|
|
48839
|
-
* unit input (type to be specified by the application's execution unit)
|
|
48840
|
-
*/
|
|
48841
|
-
input: {
|
|
48842
|
-
[k: string]: unknown;
|
|
48843
|
-
};
|
|
48844
|
-
/**
|
|
48845
|
-
* type of the unit
|
|
48846
|
-
*/
|
|
48847
|
-
type: "execution";
|
|
48848
|
-
application: {
|
|
48849
|
-
/**
|
|
48850
|
-
* The short name of the application. e.g. qe
|
|
48851
|
-
*/
|
|
48852
|
-
shortName?: string;
|
|
48853
|
-
/**
|
|
48854
|
-
* Application's short description.
|
|
48855
|
-
*/
|
|
48856
|
-
summary?: string;
|
|
48857
|
-
/**
|
|
48858
|
-
* Application version. e.g. 5.3.5
|
|
48859
|
-
*/
|
|
48860
|
-
version?: string;
|
|
48861
|
-
/**
|
|
48862
|
-
* Application build. e.g. VTST
|
|
48863
|
-
*/
|
|
48864
|
-
build?: string;
|
|
48865
|
-
/**
|
|
48866
|
-
* Whether advanced compute options are present
|
|
48867
|
-
*/
|
|
48868
|
-
hasAdvancedComputeOptions?: boolean;
|
|
48869
|
-
/**
|
|
48870
|
-
* Whether licensing is present
|
|
48871
|
-
*/
|
|
48872
|
-
isLicensed?: boolean;
|
|
48873
|
-
/**
|
|
48874
|
-
* entity identity
|
|
48875
|
-
*/
|
|
48876
|
-
_id?: string;
|
|
48877
|
-
/**
|
|
48878
|
-
* entity slug
|
|
48879
|
-
*/
|
|
48880
|
-
slug?: string;
|
|
48881
|
-
systemName?: string;
|
|
48882
|
-
/**
|
|
48883
|
-
* entity's schema version. Used to distinct between different schemas.
|
|
48884
|
-
*/
|
|
48885
|
-
schemaVersion?: string;
|
|
48886
|
-
/**
|
|
48887
|
-
* entity name
|
|
48888
|
-
*/
|
|
48889
|
-
name?: string;
|
|
48890
|
-
/**
|
|
48891
|
-
* Identifies that entity is defaultable
|
|
48892
|
-
*/
|
|
48893
|
-
isDefault?: boolean;
|
|
48894
|
-
[k: string]: unknown;
|
|
48895
|
-
};
|
|
48896
|
-
executable?: {
|
|
48897
|
-
/**
|
|
48898
|
-
* The name of the executable. e.g. pw.x
|
|
48899
|
-
*/
|
|
48900
|
-
name: string;
|
|
48901
|
-
/**
|
|
48902
|
-
* _ids of the application this executable belongs to
|
|
48903
|
-
*/
|
|
48904
|
-
applicationId?: string[];
|
|
48905
|
-
/**
|
|
48906
|
-
* Whether advanced compute options are present
|
|
48907
|
-
*/
|
|
48908
|
-
hasAdvancedComputeOptions?: boolean;
|
|
48909
|
-
/**
|
|
48910
|
-
* entity identity
|
|
48911
|
-
*/
|
|
48912
|
-
_id?: string;
|
|
48913
|
-
/**
|
|
48914
|
-
* entity slug
|
|
48915
|
-
*/
|
|
48916
|
-
slug?: string;
|
|
48917
|
-
systemName?: string;
|
|
48918
|
-
/**
|
|
48919
|
-
* entity's schema version. Used to distinct between different schemas.
|
|
48920
|
-
*/
|
|
48921
|
-
schemaVersion?: string;
|
|
48922
|
-
/**
|
|
48923
|
-
* Identifies that entity is defaultable
|
|
48924
|
-
*/
|
|
48925
|
-
isDefault?: boolean;
|
|
48926
|
-
/**
|
|
48927
|
-
* names of the pre-processors for this calculation
|
|
48928
|
-
*/
|
|
48929
|
-
preProcessors?: ({
|
|
48930
|
-
/**
|
|
48931
|
-
* The name of this item. e.g. scf_accuracy
|
|
48932
|
-
*/
|
|
48933
|
-
name: string;
|
|
48934
|
-
} | string)[];
|
|
48935
|
-
/**
|
|
48936
|
-
* names of the post-processors for this calculation
|
|
48937
|
-
*/
|
|
48938
|
-
postProcessors?: ({
|
|
48939
|
-
/**
|
|
48940
|
-
* The name of this item. e.g. scf_accuracy
|
|
48941
|
-
*/
|
|
48942
|
-
name: string;
|
|
48943
|
-
} | string)[];
|
|
48944
|
-
/**
|
|
48945
|
-
* names of the monitors for this calculation
|
|
48946
|
-
*/
|
|
48947
|
-
monitors?: ({
|
|
48948
|
-
/**
|
|
48949
|
-
* The name of this item. e.g. scf_accuracy
|
|
48950
|
-
*/
|
|
48951
|
-
name: string;
|
|
48952
|
-
} | string)[];
|
|
48953
|
-
/**
|
|
48954
|
-
* names of the results for this calculation
|
|
48955
|
-
*/
|
|
48956
|
-
results?: ({
|
|
48957
|
-
/**
|
|
48958
|
-
* The name of this item. e.g. scf_accuracy
|
|
48959
|
-
*/
|
|
48960
|
-
name: string;
|
|
48961
|
-
} | string)[];
|
|
48962
|
-
};
|
|
48963
|
-
flavor?: {
|
|
48964
|
-
/**
|
|
48965
|
-
* _id of the executable this flavor belongs to
|
|
48966
|
-
*/
|
|
48967
|
-
executableId?: string;
|
|
48968
|
-
/**
|
|
48969
|
-
* name of the executable this flavor belongs to
|
|
48970
|
-
*/
|
|
48971
|
-
executableName?: string;
|
|
48972
|
-
/**
|
|
48973
|
-
* name of the application this flavor belongs to
|
|
48974
|
-
*/
|
|
48975
|
-
applicationName?: string;
|
|
48976
|
-
input?: {
|
|
48977
|
-
templateId?: string;
|
|
48978
|
-
templateName?: string;
|
|
48979
|
-
/**
|
|
48980
|
-
* name of the resulting input file, if different than template name
|
|
48981
|
-
*/
|
|
48982
|
-
name?: string;
|
|
48983
|
-
}[];
|
|
48984
|
-
/**
|
|
48985
|
-
* list of application versions this flavor supports
|
|
48986
|
-
*/
|
|
48987
|
-
supportedApplicationVersions?: string[];
|
|
48988
|
-
/**
|
|
48989
|
-
* entity identity
|
|
48990
|
-
*/
|
|
48991
|
-
_id?: string;
|
|
48992
|
-
/**
|
|
48993
|
-
* entity slug
|
|
48994
|
-
*/
|
|
48995
|
-
slug?: string;
|
|
48996
|
-
systemName?: string;
|
|
48997
|
-
/**
|
|
48998
|
-
* entity's schema version. Used to distinct between different schemas.
|
|
48999
|
-
*/
|
|
49000
|
-
schemaVersion?: string;
|
|
49001
|
-
/**
|
|
49002
|
-
* entity name
|
|
49003
|
-
*/
|
|
49004
|
-
name?: string;
|
|
49005
|
-
/**
|
|
49006
|
-
* Identifies that entity is defaultable
|
|
49007
|
-
*/
|
|
49008
|
-
isDefault?: boolean;
|
|
49009
|
-
/**
|
|
49010
|
-
* names of the pre-processors for this calculation
|
|
49011
|
-
*/
|
|
49012
|
-
preProcessors?: ({
|
|
49013
|
-
/**
|
|
49014
|
-
* The name of this item. e.g. scf_accuracy
|
|
49015
|
-
*/
|
|
49016
|
-
name: string;
|
|
49017
|
-
} | string)[];
|
|
49018
|
-
/**
|
|
49019
|
-
* names of the post-processors for this calculation
|
|
49020
|
-
*/
|
|
49021
|
-
postProcessors?: ({
|
|
49022
|
-
/**
|
|
49023
|
-
* The name of this item. e.g. scf_accuracy
|
|
49024
|
-
*/
|
|
49025
|
-
name: string;
|
|
49026
|
-
} | string)[];
|
|
49027
|
-
/**
|
|
49028
|
-
* names of the monitors for this calculation
|
|
49029
|
-
*/
|
|
49030
|
-
monitors?: ({
|
|
49031
|
-
/**
|
|
49032
|
-
* The name of this item. e.g. scf_accuracy
|
|
49033
|
-
*/
|
|
49034
|
-
name: string;
|
|
49035
|
-
} | string)[];
|
|
49036
|
-
/**
|
|
49037
|
-
* names of the results for this calculation
|
|
49038
|
-
*/
|
|
49039
|
-
results?: ({
|
|
49040
|
-
/**
|
|
49041
|
-
* The name of this item. e.g. scf_accuracy
|
|
49042
|
-
*/
|
|
49043
|
-
name: string;
|
|
49044
|
-
} | string)[];
|
|
49045
|
-
};
|
|
49046
|
-
/**
|
|
49047
|
-
* entity identity
|
|
49048
|
-
*/
|
|
49049
|
-
_id?: string;
|
|
49050
|
-
isDraft?: boolean;
|
|
49051
|
-
/**
|
|
49052
|
-
* name of the unit. e.g. pw_scf
|
|
49053
|
-
*/
|
|
49054
|
-
name?: string;
|
|
49055
|
-
/**
|
|
49056
|
-
* Status of the unit.
|
|
49057
|
-
*/
|
|
49058
|
-
status?: "idle" | "active" | "warning" | "error" | "finished";
|
|
49059
|
-
/**
|
|
49060
|
-
* Whether this unit is the first one to be executed.
|
|
49061
|
-
*/
|
|
49062
|
-
head?: boolean;
|
|
49063
|
-
/**
|
|
49064
|
-
* Identity of the unit in the workflow. Used to trace the execution flow of the workflow.
|
|
49065
|
-
*/
|
|
49066
|
-
flowchartId: string;
|
|
49067
|
-
/**
|
|
49068
|
-
* Next unit's flowchartId. If empty, the current unit is the last.
|
|
49069
|
-
*/
|
|
49070
|
-
next?: string;
|
|
49071
|
-
/**
|
|
49072
|
-
* Whether Rupy should attempt to use Jinja templating to add context variables into the unit
|
|
49073
|
-
*/
|
|
49074
|
-
enableRender?: boolean;
|
|
49075
|
-
context?: {};
|
|
49076
|
-
/**
|
|
49077
|
-
* entity slug
|
|
49078
|
-
*/
|
|
49079
|
-
slug?: string;
|
|
49080
|
-
systemName?: string;
|
|
49081
|
-
/**
|
|
49082
|
-
* entity's schema version. Used to distinct between different schemas.
|
|
49083
|
-
*/
|
|
49084
|
-
schemaVersion?: string;
|
|
49085
|
-
/**
|
|
49086
|
-
* Identifies that entity is defaultable
|
|
49087
|
-
*/
|
|
49088
|
-
isDefault?: boolean;
|
|
49089
|
-
/**
|
|
49090
|
-
* names of the pre-processors for this calculation
|
|
49091
|
-
*/
|
|
49092
|
-
preProcessors?: ({
|
|
49093
|
-
/**
|
|
49094
|
-
* The name of this item. e.g. scf_accuracy
|
|
49095
|
-
*/
|
|
49096
|
-
name: string;
|
|
49097
|
-
} | string)[];
|
|
49098
|
-
/**
|
|
49099
|
-
* names of the post-processors for this calculation
|
|
49100
|
-
*/
|
|
49101
|
-
postProcessors?: ({
|
|
49102
|
-
/**
|
|
49103
|
-
* The name of this item. e.g. scf_accuracy
|
|
49104
|
-
*/
|
|
49105
|
-
name: string;
|
|
49106
|
-
} | string)[];
|
|
49107
|
-
/**
|
|
49108
|
-
* names of the monitors for this calculation
|
|
49109
|
-
*/
|
|
49110
|
-
monitors?: ({
|
|
49111
|
-
/**
|
|
49112
|
-
* The name of this item. e.g. scf_accuracy
|
|
49113
|
-
*/
|
|
49114
|
-
name: string;
|
|
49115
|
-
} | string)[];
|
|
49116
|
-
/**
|
|
49117
|
-
* names of the results for this calculation
|
|
49118
|
-
*/
|
|
49119
|
-
results?: ({
|
|
49120
|
-
/**
|
|
49121
|
-
* The name of this item. e.g. scf_accuracy
|
|
49122
|
-
*/
|
|
49123
|
-
name: string;
|
|
49124
|
-
} | string)[];
|
|
49125
|
-
/**
|
|
49126
|
-
* entity tags
|
|
49127
|
-
*/
|
|
49128
|
-
tags?: string[];
|
|
49129
|
-
statusTrack?: {
|
|
49130
|
-
trackedAt: number;
|
|
49131
|
-
status: string;
|
|
49132
|
-
repetition?: number;
|
|
49133
|
-
}[];
|
|
49134
|
-
[k: string]: unknown;
|
|
49135
|
-
} | {
|
|
49136
|
-
/**
|
|
49137
|
-
* model init unit (NOTE: info about method, eg. regression/linear is taken from (sub)workflow)
|
|
49138
|
-
*/
|
|
49139
|
-
input: {
|
|
49140
|
-
/**
|
|
49141
|
-
* target properties to predict (NOTE: must be a subset of targets for which training was done)
|
|
49142
|
-
*/
|
|
49143
|
-
targets: string[];
|
|
49144
|
-
};
|
|
49145
|
-
/**
|
|
49146
|
-
* type of the unit
|
|
49147
|
-
*/
|
|
49148
|
-
type: "execution";
|
|
49149
|
-
application: {
|
|
49150
|
-
/**
|
|
49151
|
-
* The short name of the application. e.g. qe
|
|
49152
|
-
*/
|
|
49153
|
-
shortName?: string;
|
|
49154
|
-
/**
|
|
49155
|
-
* Application's short description.
|
|
49156
|
-
*/
|
|
49157
|
-
summary?: string;
|
|
49158
|
-
/**
|
|
49159
|
-
* Application version. e.g. 5.3.5
|
|
49160
|
-
*/
|
|
49161
|
-
version?: string;
|
|
49162
|
-
/**
|
|
49163
|
-
* Application build. e.g. VTST
|
|
49164
|
-
*/
|
|
49165
|
-
build?: string;
|
|
49166
|
-
/**
|
|
49167
|
-
* Whether advanced compute options are present
|
|
49168
|
-
*/
|
|
49169
|
-
hasAdvancedComputeOptions?: boolean;
|
|
49170
|
-
/**
|
|
49171
|
-
* Whether licensing is present
|
|
49172
|
-
*/
|
|
49173
|
-
isLicensed?: boolean;
|
|
49174
|
-
/**
|
|
49175
|
-
* entity identity
|
|
49176
|
-
*/
|
|
49177
|
-
_id?: string;
|
|
49178
|
-
/**
|
|
49179
|
-
* entity slug
|
|
49180
|
-
*/
|
|
49181
|
-
slug?: string;
|
|
49182
|
-
systemName?: string;
|
|
49183
|
-
/**
|
|
49184
|
-
* entity's schema version. Used to distinct between different schemas.
|
|
49185
|
-
*/
|
|
49186
|
-
schemaVersion?: string;
|
|
49187
|
-
/**
|
|
49188
|
-
* entity name
|
|
49189
|
-
*/
|
|
49190
|
-
name?: string;
|
|
49191
|
-
/**
|
|
49192
|
-
* Identifies that entity is defaultable
|
|
49193
|
-
*/
|
|
49194
|
-
isDefault?: boolean;
|
|
49195
|
-
[k: string]: unknown;
|
|
49196
|
-
};
|
|
49197
|
-
executable?: {
|
|
49198
|
-
/**
|
|
49199
|
-
* The name of the executable. e.g. pw.x
|
|
49200
|
-
*/
|
|
49201
|
-
name: string;
|
|
49202
|
-
/**
|
|
49203
|
-
* _ids of the application this executable belongs to
|
|
49204
|
-
*/
|
|
49205
|
-
applicationId?: string[];
|
|
49206
|
-
/**
|
|
49207
|
-
* Whether advanced compute options are present
|
|
49208
|
-
*/
|
|
49209
|
-
hasAdvancedComputeOptions?: boolean;
|
|
49210
|
-
/**
|
|
49211
|
-
* entity identity
|
|
49212
|
-
*/
|
|
49213
|
-
_id?: string;
|
|
49214
|
-
/**
|
|
49215
|
-
* entity slug
|
|
49216
|
-
*/
|
|
49217
|
-
slug?: string;
|
|
49218
|
-
systemName?: string;
|
|
49219
|
-
/**
|
|
49220
|
-
* entity's schema version. Used to distinct between different schemas.
|
|
49221
|
-
*/
|
|
49222
|
-
schemaVersion?: string;
|
|
49223
|
-
/**
|
|
49224
|
-
* Identifies that entity is defaultable
|
|
49225
|
-
*/
|
|
49226
|
-
isDefault?: boolean;
|
|
49227
|
-
/**
|
|
49228
|
-
* names of the pre-processors for this calculation
|
|
49229
|
-
*/
|
|
49230
|
-
preProcessors?: ({
|
|
49231
|
-
/**
|
|
49232
|
-
* The name of this item. e.g. scf_accuracy
|
|
49233
|
-
*/
|
|
49234
|
-
name: string;
|
|
49235
|
-
} | string)[];
|
|
49236
|
-
/**
|
|
49237
|
-
* names of the post-processors for this calculation
|
|
49238
|
-
*/
|
|
49239
|
-
postProcessors?: ({
|
|
49240
|
-
/**
|
|
49241
|
-
* The name of this item. e.g. scf_accuracy
|
|
49242
|
-
*/
|
|
49243
|
-
name: string;
|
|
49244
|
-
} | string)[];
|
|
49245
|
-
/**
|
|
49246
|
-
* names of the monitors for this calculation
|
|
49247
|
-
*/
|
|
49248
|
-
monitors?: ({
|
|
49249
|
-
/**
|
|
49250
|
-
* The name of this item. e.g. scf_accuracy
|
|
49251
|
-
*/
|
|
49252
|
-
name: string;
|
|
49253
|
-
} | string)[];
|
|
49254
|
-
/**
|
|
49255
|
-
* names of the results for this calculation
|
|
49256
|
-
*/
|
|
49257
|
-
results?: ({
|
|
49258
|
-
/**
|
|
49259
|
-
* The name of this item. e.g. scf_accuracy
|
|
49260
|
-
*/
|
|
49261
|
-
name: string;
|
|
49262
|
-
} | string)[];
|
|
49263
|
-
};
|
|
49264
|
-
flavor?: {
|
|
49265
|
-
/**
|
|
49266
|
-
* _id of the executable this flavor belongs to
|
|
49267
|
-
*/
|
|
49268
|
-
executableId?: string;
|
|
49269
|
-
/**
|
|
49270
|
-
* name of the executable this flavor belongs to
|
|
49271
|
-
*/
|
|
49272
|
-
executableName?: string;
|
|
49273
|
-
/**
|
|
49274
|
-
* name of the application this flavor belongs to
|
|
49275
|
-
*/
|
|
49276
|
-
applicationName?: string;
|
|
49277
|
-
input?: {
|
|
49278
|
-
templateId?: string;
|
|
49279
|
-
templateName?: string;
|
|
49280
|
-
/**
|
|
49281
|
-
* name of the resulting input file, if different than template name
|
|
49282
|
-
*/
|
|
49283
|
-
name?: string;
|
|
49284
|
-
}[];
|
|
49285
|
-
/**
|
|
49286
|
-
* list of application versions this flavor supports
|
|
49287
|
-
*/
|
|
49288
|
-
supportedApplicationVersions?: string[];
|
|
49289
|
-
/**
|
|
49290
|
-
* entity identity
|
|
49291
|
-
*/
|
|
49292
|
-
_id?: string;
|
|
49293
|
-
/**
|
|
49294
|
-
* entity slug
|
|
49295
|
-
*/
|
|
49296
|
-
slug?: string;
|
|
49297
|
-
systemName?: string;
|
|
49298
|
-
/**
|
|
49299
|
-
* entity's schema version. Used to distinct between different schemas.
|
|
49300
|
-
*/
|
|
49301
|
-
schemaVersion?: string;
|
|
49302
|
-
/**
|
|
49303
|
-
* entity name
|
|
49304
|
-
*/
|
|
49305
|
-
name?: string;
|
|
49306
|
-
/**
|
|
49307
|
-
* Identifies that entity is defaultable
|
|
49308
|
-
*/
|
|
49309
|
-
isDefault?: boolean;
|
|
49310
|
-
/**
|
|
49311
|
-
* names of the pre-processors for this calculation
|
|
49312
|
-
*/
|
|
49313
|
-
preProcessors?: ({
|
|
49314
|
-
/**
|
|
49315
|
-
* The name of this item. e.g. scf_accuracy
|
|
49316
|
-
*/
|
|
49317
|
-
name: string;
|
|
49318
|
-
} | string)[];
|
|
49319
|
-
/**
|
|
49320
|
-
* names of the post-processors for this calculation
|
|
49321
|
-
*/
|
|
49322
|
-
postProcessors?: ({
|
|
49323
|
-
/**
|
|
49324
|
-
* The name of this item. e.g. scf_accuracy
|
|
49325
|
-
*/
|
|
49326
|
-
name: string;
|
|
49327
|
-
} | string)[];
|
|
49328
|
-
/**
|
|
49329
|
-
* names of the monitors for this calculation
|
|
49330
|
-
*/
|
|
49331
|
-
monitors?: ({
|
|
49332
|
-
/**
|
|
49333
|
-
* The name of this item. e.g. scf_accuracy
|
|
49334
|
-
*/
|
|
49335
|
-
name: string;
|
|
49336
|
-
} | string)[];
|
|
49337
|
-
/**
|
|
49338
|
-
* names of the results for this calculation
|
|
49339
|
-
*/
|
|
49340
|
-
results?: ({
|
|
49341
|
-
/**
|
|
49342
|
-
* The name of this item. e.g. scf_accuracy
|
|
49343
|
-
*/
|
|
49344
|
-
name: string;
|
|
49345
|
-
} | string)[];
|
|
49346
|
-
};
|
|
49347
|
-
/**
|
|
49348
|
-
* entity identity
|
|
49349
|
-
*/
|
|
49350
|
-
_id?: string;
|
|
49351
|
-
isDraft?: boolean;
|
|
49352
|
-
/**
|
|
49353
|
-
* name of the unit. e.g. pw_scf
|
|
49354
|
-
*/
|
|
49355
|
-
name?: string;
|
|
49356
|
-
/**
|
|
49357
|
-
* Status of the unit.
|
|
49358
|
-
*/
|
|
49359
|
-
status?: "idle" | "active" | "warning" | "error" | "finished";
|
|
49360
|
-
/**
|
|
49361
|
-
* Whether this unit is the first one to be executed.
|
|
49362
|
-
*/
|
|
49363
|
-
head?: boolean;
|
|
49364
|
-
/**
|
|
49365
|
-
* Identity of the unit in the workflow. Used to trace the execution flow of the workflow.
|
|
49366
|
-
*/
|
|
49367
|
-
flowchartId: string;
|
|
49368
|
-
/**
|
|
49369
|
-
* Next unit's flowchartId. If empty, the current unit is the last.
|
|
49370
|
-
*/
|
|
49371
|
-
next?: string;
|
|
49372
|
-
/**
|
|
49373
|
-
* Whether Rupy should attempt to use Jinja templating to add context variables into the unit
|
|
49374
|
-
*/
|
|
49375
|
-
enableRender?: boolean;
|
|
49376
|
-
context?: {};
|
|
49377
|
-
/**
|
|
49378
|
-
* entity slug
|
|
49379
|
-
*/
|
|
49380
|
-
slug?: string;
|
|
49381
|
-
systemName?: string;
|
|
49382
|
-
/**
|
|
49383
|
-
* entity's schema version. Used to distinct between different schemas.
|
|
49384
|
-
*/
|
|
49385
|
-
schemaVersion?: string;
|
|
49386
|
-
/**
|
|
49387
|
-
* Identifies that entity is defaultable
|
|
49388
|
-
*/
|
|
49389
|
-
isDefault?: boolean;
|
|
49390
|
-
/**
|
|
49391
|
-
* names of the pre-processors for this calculation
|
|
49392
|
-
*/
|
|
49393
|
-
preProcessors?: ({
|
|
49394
|
-
/**
|
|
49395
|
-
* The name of this item. e.g. scf_accuracy
|
|
49396
|
-
*/
|
|
49397
|
-
name: string;
|
|
49398
|
-
} | string)[];
|
|
49399
|
-
/**
|
|
49400
|
-
* names of the post-processors for this calculation
|
|
49401
|
-
*/
|
|
49402
|
-
postProcessors?: ({
|
|
49403
|
-
/**
|
|
49404
|
-
* The name of this item. e.g. scf_accuracy
|
|
49405
|
-
*/
|
|
49406
|
-
name: string;
|
|
49407
|
-
} | string)[];
|
|
49408
|
-
/**
|
|
49409
|
-
* names of the monitors for this calculation
|
|
49410
|
-
*/
|
|
49411
|
-
monitors?: ({
|
|
49412
|
-
/**
|
|
49413
|
-
* The name of this item. e.g. scf_accuracy
|
|
49414
|
-
*/
|
|
49415
|
-
name: string;
|
|
49416
|
-
} | string)[];
|
|
49417
|
-
/**
|
|
49418
|
-
* names of the results for this calculation
|
|
49419
|
-
*/
|
|
49420
|
-
results?: ({
|
|
49421
|
-
/**
|
|
49422
|
-
* The name of this item. e.g. scf_accuracy
|
|
49423
|
-
*/
|
|
49424
|
-
name: string;
|
|
49425
|
-
} | string)[];
|
|
49426
|
-
/**
|
|
49427
|
-
* entity tags
|
|
49428
|
-
*/
|
|
49429
|
-
tags?: string[];
|
|
49430
|
-
statusTrack?: {
|
|
49431
|
-
trackedAt: number;
|
|
49432
|
-
status: string;
|
|
49433
|
-
repetition?: number;
|
|
49434
|
-
}[];
|
|
49435
|
-
[k: string]: unknown;
|
|
49436
|
-
};
|
|
49437
|
-
/** Schema dist/js/schema/software_directory/ml/unit/processing/data_transformation/manipulation.json */
|
|
49438
|
-
export interface ManipulationUnitSchema {
|
|
49439
|
-
/**
|
|
49440
|
-
* Contains information about the operation used.
|
|
49441
|
-
*/
|
|
49442
|
-
operation: "data_transformation";
|
|
49443
|
-
/**
|
|
49444
|
-
* Contains information about the specific type of the operation used.
|
|
49445
|
-
*/
|
|
49446
|
-
operationType: "manipulation";
|
|
49447
|
-
/**
|
|
49448
|
-
* unit input (type to be specified by the child units)
|
|
49449
|
-
*/
|
|
49450
|
-
inputData: {
|
|
49451
|
-
/**
|
|
49452
|
-
* whether to clean missing data, eg. NaN
|
|
49453
|
-
*/
|
|
49454
|
-
cleanMissingData: boolean;
|
|
49455
|
-
/**
|
|
49456
|
-
* whether to remove duplicate rows
|
|
49457
|
-
*/
|
|
49458
|
-
removeDuplicateRows: boolean;
|
|
49459
|
-
/**
|
|
49460
|
-
* replace None values with a given value
|
|
49461
|
-
*/
|
|
49462
|
-
replaceNoneValuesWith: number;
|
|
49463
|
-
};
|
|
49464
|
-
/**
|
|
49465
|
-
* type of the unit
|
|
49466
|
-
*/
|
|
49467
|
-
type: "processing";
|
|
49468
|
-
/**
|
|
49469
|
-
* entity identity
|
|
49470
|
-
*/
|
|
49471
|
-
_id?: string;
|
|
49472
|
-
isDraft?: boolean;
|
|
49473
|
-
/**
|
|
49474
|
-
* name of the unit. e.g. pw_scf
|
|
49475
|
-
*/
|
|
49476
|
-
name?: string;
|
|
49477
|
-
/**
|
|
49478
|
-
* Status of the unit.
|
|
49479
|
-
*/
|
|
49480
|
-
status?: "idle" | "active" | "warning" | "error" | "finished";
|
|
49481
|
-
/**
|
|
49482
|
-
* Whether this unit is the first one to be executed.
|
|
49483
|
-
*/
|
|
49484
|
-
head?: boolean;
|
|
49485
|
-
/**
|
|
49486
|
-
* Identity of the unit in the workflow. Used to trace the execution flow of the workflow.
|
|
49487
|
-
*/
|
|
49488
|
-
flowchartId: string;
|
|
49489
|
-
/**
|
|
49490
|
-
* Next unit's flowchartId. If empty, the current unit is the last.
|
|
49491
|
-
*/
|
|
49492
|
-
next?: string;
|
|
49493
|
-
/**
|
|
49494
|
-
* Whether Rupy should attempt to use Jinja templating to add context variables into the unit
|
|
49495
|
-
*/
|
|
49496
|
-
enableRender?: boolean;
|
|
49497
|
-
context?: {};
|
|
49498
|
-
/**
|
|
49499
|
-
* entity slug
|
|
49500
|
-
*/
|
|
49501
|
-
slug?: string;
|
|
49502
|
-
systemName?: string;
|
|
49503
|
-
/**
|
|
49504
|
-
* entity's schema version. Used to distinct between different schemas.
|
|
49505
|
-
*/
|
|
49506
|
-
schemaVersion?: string;
|
|
49507
|
-
/**
|
|
49508
|
-
* Identifies that entity is defaultable
|
|
49509
|
-
*/
|
|
49510
|
-
isDefault?: boolean;
|
|
49511
|
-
/**
|
|
49512
|
-
* names of the pre-processors for this calculation
|
|
49513
|
-
*/
|
|
49514
|
-
preProcessors?: ({
|
|
49515
|
-
/**
|
|
49516
|
-
* The name of this item. e.g. scf_accuracy
|
|
49517
|
-
*/
|
|
49518
|
-
name: string;
|
|
49519
|
-
} | string)[];
|
|
49520
|
-
/**
|
|
49521
|
-
* names of the post-processors for this calculation
|
|
49522
|
-
*/
|
|
49523
|
-
postProcessors?: ({
|
|
49524
|
-
/**
|
|
49525
|
-
* The name of this item. e.g. scf_accuracy
|
|
49526
|
-
*/
|
|
49527
|
-
name: string;
|
|
49528
|
-
} | string)[];
|
|
49529
|
-
/**
|
|
49530
|
-
* names of the monitors for this calculation
|
|
49531
|
-
*/
|
|
49532
|
-
monitors?: ({
|
|
49533
|
-
/**
|
|
49534
|
-
* The name of this item. e.g. scf_accuracy
|
|
49535
|
-
*/
|
|
49536
|
-
name: string;
|
|
49537
|
-
} | string)[];
|
|
49538
|
-
/**
|
|
49539
|
-
* names of the results for this calculation
|
|
49540
|
-
*/
|
|
49541
|
-
results?: ({
|
|
49542
|
-
/**
|
|
49543
|
-
* The name of this item. e.g. scf_accuracy
|
|
49544
|
-
*/
|
|
49545
|
-
name: string;
|
|
49546
|
-
} | string)[];
|
|
49547
|
-
/**
|
|
49548
|
-
* entity tags
|
|
49549
|
-
*/
|
|
49550
|
-
tags?: string[];
|
|
49551
|
-
statusTrack?: {
|
|
49552
|
-
trackedAt: number;
|
|
49553
|
-
status: string;
|
|
49554
|
-
repetition?: number;
|
|
49555
|
-
}[];
|
|
49556
|
-
[k: string]: unknown;
|
|
49557
|
-
}
|
|
49558
|
-
/** Schema dist/js/schema/software_directory/ml/unit/processing/data_transformation/scale_and_reduce.json */
|
|
49559
|
-
export interface ScaleAndReduceUnitSchema {
|
|
49560
|
-
/**
|
|
49561
|
-
* Contains information about the operation used.
|
|
49562
|
-
*/
|
|
49563
|
-
operation: "data_transformation";
|
|
49564
|
-
/**
|
|
49565
|
-
* Contains information about the specific type of the operation used.
|
|
49566
|
-
*/
|
|
49567
|
-
operationType: "scale_and_reduce";
|
|
49568
|
-
/**
|
|
49569
|
-
* unit input (type to be specified by the child units)
|
|
49570
|
-
*/
|
|
49571
|
-
inputData: {
|
|
49572
|
-
/**
|
|
49573
|
-
* type of scaler to be applied
|
|
49574
|
-
*/
|
|
49575
|
-
scaler: "standard_scaler";
|
|
49576
|
-
/**
|
|
49577
|
-
* per-feature scaling data
|
|
49578
|
-
*/
|
|
49579
|
-
perFeature?: {
|
|
49580
|
-
/**
|
|
49581
|
-
* variance in original training data
|
|
49582
|
-
*/
|
|
49583
|
-
variance?: number;
|
|
49584
|
-
/**
|
|
49585
|
-
* mean value of the original training data
|
|
49586
|
-
*/
|
|
49587
|
-
mean?: number;
|
|
49588
|
-
/**
|
|
49589
|
-
* scale multiplier for this feature/property
|
|
49590
|
-
*/
|
|
49591
|
-
scale: number;
|
|
49592
|
-
/**
|
|
49593
|
-
* feature/property name in 'flattened' format
|
|
49594
|
-
*/
|
|
49595
|
-
name: string;
|
|
49596
|
-
}[];
|
|
49597
|
-
};
|
|
49598
|
-
/**
|
|
49599
|
-
* type of the unit
|
|
49600
|
-
*/
|
|
49601
|
-
type: "processing";
|
|
49602
|
-
/**
|
|
49603
|
-
* entity identity
|
|
49604
|
-
*/
|
|
49605
|
-
_id?: string;
|
|
49606
|
-
isDraft?: boolean;
|
|
49607
|
-
/**
|
|
49608
|
-
* name of the unit. e.g. pw_scf
|
|
49609
|
-
*/
|
|
49610
|
-
name?: string;
|
|
49611
|
-
/**
|
|
49612
|
-
* Status of the unit.
|
|
49613
|
-
*/
|
|
49614
|
-
status?: "idle" | "active" | "warning" | "error" | "finished";
|
|
49615
|
-
/**
|
|
49616
|
-
* Whether this unit is the first one to be executed.
|
|
49617
|
-
*/
|
|
49618
|
-
head?: boolean;
|
|
49619
|
-
/**
|
|
49620
|
-
* Identity of the unit in the workflow. Used to trace the execution flow of the workflow.
|
|
49621
|
-
*/
|
|
49622
|
-
flowchartId: string;
|
|
49623
|
-
/**
|
|
49624
|
-
* Next unit's flowchartId. If empty, the current unit is the last.
|
|
49625
|
-
*/
|
|
49626
|
-
next?: string;
|
|
49627
|
-
/**
|
|
49628
|
-
* Whether Rupy should attempt to use Jinja templating to add context variables into the unit
|
|
49629
|
-
*/
|
|
49630
|
-
enableRender?: boolean;
|
|
49631
|
-
context?: {};
|
|
49632
|
-
/**
|
|
49633
|
-
* entity slug
|
|
49634
|
-
*/
|
|
49635
|
-
slug?: string;
|
|
49636
|
-
systemName?: string;
|
|
49637
|
-
/**
|
|
49638
|
-
* entity's schema version. Used to distinct between different schemas.
|
|
49639
|
-
*/
|
|
49640
|
-
schemaVersion?: string;
|
|
49641
|
-
/**
|
|
49642
|
-
* Identifies that entity is defaultable
|
|
49643
|
-
*/
|
|
49644
|
-
isDefault?: boolean;
|
|
49645
|
-
/**
|
|
49646
|
-
* names of the pre-processors for this calculation
|
|
49647
|
-
*/
|
|
49648
|
-
preProcessors?: ({
|
|
49649
|
-
/**
|
|
49650
|
-
* The name of this item. e.g. scf_accuracy
|
|
49651
|
-
*/
|
|
49652
|
-
name: string;
|
|
49653
|
-
} | string)[];
|
|
49654
|
-
/**
|
|
49655
|
-
* names of the post-processors for this calculation
|
|
49656
|
-
*/
|
|
49657
|
-
postProcessors?: ({
|
|
49658
|
-
/**
|
|
49659
|
-
* The name of this item. e.g. scf_accuracy
|
|
49660
|
-
*/
|
|
49661
|
-
name: string;
|
|
49662
|
-
} | string)[];
|
|
49663
|
-
/**
|
|
49664
|
-
* names of the monitors for this calculation
|
|
49665
|
-
*/
|
|
49666
|
-
monitors?: ({
|
|
49667
|
-
/**
|
|
49668
|
-
* The name of this item. e.g. scf_accuracy
|
|
49669
|
-
*/
|
|
49670
|
-
name: string;
|
|
49671
|
-
} | string)[];
|
|
49672
|
-
/**
|
|
49673
|
-
* names of the results for this calculation
|
|
49674
|
-
*/
|
|
49675
|
-
results?: ({
|
|
49676
|
-
/**
|
|
49677
|
-
* The name of this item. e.g. scf_accuracy
|
|
49678
|
-
*/
|
|
49679
|
-
name: string;
|
|
49680
|
-
} | string)[];
|
|
49681
|
-
/**
|
|
49682
|
-
* entity tags
|
|
49683
|
-
*/
|
|
49684
|
-
tags?: string[];
|
|
49685
|
-
statusTrack?: {
|
|
49686
|
-
trackedAt: number;
|
|
49687
|
-
status: string;
|
|
49688
|
-
repetition?: number;
|
|
49689
|
-
}[];
|
|
49690
|
-
[k: string]: unknown;
|
|
49691
|
-
}
|
|
49692
|
-
/** Schema dist/js/schema/software_directory/ml/unit/processing/data_transformation.json */
|
|
49693
|
-
export type SoftwareDirectoryMlUnitProcessingDataTransformation = {
|
|
49694
|
-
/**
|
|
49695
|
-
* Contains information about the operation used.
|
|
49696
|
-
*/
|
|
49697
|
-
operation: "data_transformation";
|
|
49698
|
-
/**
|
|
49699
|
-
* Contains information about the specific type of the operation used.
|
|
49700
|
-
*/
|
|
49701
|
-
operationType: "scale_and_reduce";
|
|
49702
|
-
/**
|
|
49703
|
-
* unit input (type to be specified by the child units)
|
|
49704
|
-
*/
|
|
49705
|
-
inputData: {
|
|
49706
|
-
/**
|
|
49707
|
-
* type of scaler to be applied
|
|
49708
|
-
*/
|
|
49709
|
-
scaler: "standard_scaler";
|
|
49710
|
-
/**
|
|
49711
|
-
* per-feature scaling data
|
|
49712
|
-
*/
|
|
49713
|
-
perFeature?: {
|
|
49714
|
-
/**
|
|
49715
|
-
* variance in original training data
|
|
49716
|
-
*/
|
|
49717
|
-
variance?: number;
|
|
49718
|
-
/**
|
|
49719
|
-
* mean value of the original training data
|
|
49720
|
-
*/
|
|
49721
|
-
mean?: number;
|
|
49722
|
-
/**
|
|
49723
|
-
* scale multiplier for this feature/property
|
|
49724
|
-
*/
|
|
49725
|
-
scale: number;
|
|
49726
|
-
/**
|
|
49727
|
-
* feature/property name in 'flattened' format
|
|
49728
|
-
*/
|
|
49729
|
-
name: string;
|
|
49730
|
-
}[];
|
|
49731
|
-
};
|
|
49732
|
-
/**
|
|
49733
|
-
* type of the unit
|
|
49734
|
-
*/
|
|
49735
|
-
type: "processing";
|
|
49736
|
-
/**
|
|
49737
|
-
* entity identity
|
|
49738
|
-
*/
|
|
49739
|
-
_id?: string;
|
|
49740
|
-
isDraft?: boolean;
|
|
49741
|
-
/**
|
|
49742
|
-
* name of the unit. e.g. pw_scf
|
|
49743
|
-
*/
|
|
49744
|
-
name?: string;
|
|
49745
|
-
/**
|
|
49746
|
-
* Status of the unit.
|
|
49747
|
-
*/
|
|
49748
|
-
status?: "idle" | "active" | "warning" | "error" | "finished";
|
|
49749
|
-
/**
|
|
49750
|
-
* Whether this unit is the first one to be executed.
|
|
49751
|
-
*/
|
|
49752
|
-
head?: boolean;
|
|
49753
|
-
/**
|
|
49754
|
-
* Identity of the unit in the workflow. Used to trace the execution flow of the workflow.
|
|
49755
|
-
*/
|
|
49756
|
-
flowchartId: string;
|
|
49757
|
-
/**
|
|
49758
|
-
* Next unit's flowchartId. If empty, the current unit is the last.
|
|
49759
|
-
*/
|
|
49760
|
-
next?: string;
|
|
49761
|
-
/**
|
|
49762
|
-
* Whether Rupy should attempt to use Jinja templating to add context variables into the unit
|
|
49763
|
-
*/
|
|
49764
|
-
enableRender?: boolean;
|
|
49765
|
-
context?: {};
|
|
49766
|
-
/**
|
|
49767
|
-
* entity slug
|
|
49768
|
-
*/
|
|
49769
|
-
slug?: string;
|
|
49770
|
-
systemName?: string;
|
|
49771
|
-
/**
|
|
49772
|
-
* entity's schema version. Used to distinct between different schemas.
|
|
49773
|
-
*/
|
|
49774
|
-
schemaVersion?: string;
|
|
49775
|
-
/**
|
|
49776
|
-
* Identifies that entity is defaultable
|
|
49777
|
-
*/
|
|
49778
|
-
isDefault?: boolean;
|
|
49779
|
-
/**
|
|
49780
|
-
* names of the pre-processors for this calculation
|
|
49781
|
-
*/
|
|
49782
|
-
preProcessors?: ({
|
|
49783
|
-
/**
|
|
49784
|
-
* The name of this item. e.g. scf_accuracy
|
|
49785
|
-
*/
|
|
49786
|
-
name: string;
|
|
49787
|
-
} | string)[];
|
|
49788
|
-
/**
|
|
49789
|
-
* names of the post-processors for this calculation
|
|
49790
|
-
*/
|
|
49791
|
-
postProcessors?: ({
|
|
49792
|
-
/**
|
|
49793
|
-
* The name of this item. e.g. scf_accuracy
|
|
49794
|
-
*/
|
|
49795
|
-
name: string;
|
|
49796
|
-
} | string)[];
|
|
49797
|
-
/**
|
|
49798
|
-
* names of the monitors for this calculation
|
|
49799
|
-
*/
|
|
49800
|
-
monitors?: ({
|
|
49801
|
-
/**
|
|
49802
|
-
* The name of this item. e.g. scf_accuracy
|
|
49803
|
-
*/
|
|
49804
|
-
name: string;
|
|
49805
|
-
} | string)[];
|
|
49806
|
-
/**
|
|
49807
|
-
* names of the results for this calculation
|
|
49808
|
-
*/
|
|
49809
|
-
results?: ({
|
|
49810
|
-
/**
|
|
49811
|
-
* The name of this item. e.g. scf_accuracy
|
|
49812
|
-
*/
|
|
49813
|
-
name: string;
|
|
49814
|
-
} | string)[];
|
|
49815
|
-
/**
|
|
49816
|
-
* entity tags
|
|
49817
|
-
*/
|
|
49818
|
-
tags?: string[];
|
|
49819
|
-
statusTrack?: {
|
|
49820
|
-
trackedAt: number;
|
|
49821
|
-
status: string;
|
|
49822
|
-
repetition?: number;
|
|
49823
|
-
}[];
|
|
49824
|
-
[k: string]: unknown;
|
|
49825
|
-
};
|
|
49826
|
-
/** Schema dist/js/schema/software_directory/ml/unit/processing/feature_selection/filter_based.json */
|
|
49827
|
-
export interface FilterBasedFeatureSelectionUnitSchema {
|
|
49828
|
-
/**
|
|
49829
|
-
* Contains information about the operation used.
|
|
49830
|
-
*/
|
|
49831
|
-
operation: "feature_selection";
|
|
49832
|
-
/**
|
|
49833
|
-
* Contains information about the specific type of the operation used.
|
|
49834
|
-
*/
|
|
49835
|
-
operationType: "filter_based";
|
|
49836
|
-
/**
|
|
49837
|
-
* unit input (type to be specified by the child units)
|
|
49838
|
-
*/
|
|
49839
|
-
inputData: {
|
|
49840
|
-
/**
|
|
49841
|
-
* number of features to select for model training. If equal to 0, will use all available features
|
|
49842
|
-
*/
|
|
49843
|
-
nFeatures: number;
|
|
49844
|
-
/**
|
|
49845
|
-
* feature selection algorithm following sklearn.feature_selection
|
|
49846
|
-
*/
|
|
49847
|
-
algorithm: "f_regression";
|
|
49848
|
-
};
|
|
49849
|
-
/**
|
|
49850
|
-
* type of the unit
|
|
49851
|
-
*/
|
|
49852
|
-
type: "processing";
|
|
49853
|
-
/**
|
|
49854
|
-
* entity identity
|
|
49855
|
-
*/
|
|
49856
|
-
_id?: string;
|
|
49857
|
-
isDraft?: boolean;
|
|
49858
|
-
/**
|
|
49859
|
-
* name of the unit. e.g. pw_scf
|
|
49860
|
-
*/
|
|
49861
|
-
name?: string;
|
|
49862
|
-
/**
|
|
49863
|
-
* Status of the unit.
|
|
49864
|
-
*/
|
|
49865
|
-
status?: "idle" | "active" | "warning" | "error" | "finished";
|
|
49866
|
-
/**
|
|
49867
|
-
* Whether this unit is the first one to be executed.
|
|
49868
|
-
*/
|
|
49869
|
-
head?: boolean;
|
|
49870
|
-
/**
|
|
49871
|
-
* Identity of the unit in the workflow. Used to trace the execution flow of the workflow.
|
|
49872
|
-
*/
|
|
49873
|
-
flowchartId: string;
|
|
49874
|
-
/**
|
|
49875
|
-
* Next unit's flowchartId. If empty, the current unit is the last.
|
|
49876
|
-
*/
|
|
49877
|
-
next?: string;
|
|
49878
|
-
/**
|
|
49879
|
-
* Whether Rupy should attempt to use Jinja templating to add context variables into the unit
|
|
49880
|
-
*/
|
|
49881
|
-
enableRender?: boolean;
|
|
49882
|
-
context?: {};
|
|
49883
|
-
/**
|
|
49884
|
-
* entity slug
|
|
49885
|
-
*/
|
|
49886
|
-
slug?: string;
|
|
49887
|
-
systemName?: string;
|
|
49888
|
-
/**
|
|
49889
|
-
* entity's schema version. Used to distinct between different schemas.
|
|
49890
|
-
*/
|
|
49891
|
-
schemaVersion?: string;
|
|
49892
|
-
/**
|
|
49893
|
-
* Identifies that entity is defaultable
|
|
49894
|
-
*/
|
|
49895
|
-
isDefault?: boolean;
|
|
49896
|
-
/**
|
|
49897
|
-
* names of the pre-processors for this calculation
|
|
49898
|
-
*/
|
|
49899
|
-
preProcessors?: ({
|
|
49900
|
-
/**
|
|
49901
|
-
* The name of this item. e.g. scf_accuracy
|
|
49902
|
-
*/
|
|
49903
|
-
name: string;
|
|
49904
|
-
} | string)[];
|
|
49905
|
-
/**
|
|
49906
|
-
* names of the post-processors for this calculation
|
|
49907
|
-
*/
|
|
49908
|
-
postProcessors?: ({
|
|
49909
|
-
/**
|
|
49910
|
-
* The name of this item. e.g. scf_accuracy
|
|
49911
|
-
*/
|
|
49912
|
-
name: string;
|
|
49913
|
-
} | string)[];
|
|
49914
|
-
/**
|
|
49915
|
-
* names of the monitors for this calculation
|
|
49916
|
-
*/
|
|
49917
|
-
monitors?: ({
|
|
49918
|
-
/**
|
|
49919
|
-
* The name of this item. e.g. scf_accuracy
|
|
49920
|
-
*/
|
|
49921
|
-
name: string;
|
|
49922
|
-
} | string)[];
|
|
49923
|
-
/**
|
|
49924
|
-
* names of the results for this calculation
|
|
49925
|
-
*/
|
|
49926
|
-
results?: ({
|
|
49927
|
-
/**
|
|
49928
|
-
* The name of this item. e.g. scf_accuracy
|
|
49929
|
-
*/
|
|
49930
|
-
name: string;
|
|
49931
|
-
} | string)[];
|
|
49932
|
-
/**
|
|
49933
|
-
* entity tags
|
|
49934
|
-
*/
|
|
49935
|
-
tags?: string[];
|
|
49936
|
-
statusTrack?: {
|
|
49937
|
-
trackedAt: number;
|
|
49938
|
-
status: string;
|
|
49939
|
-
repetition?: number;
|
|
49940
|
-
}[];
|
|
49941
|
-
[k: string]: unknown;
|
|
49942
|
-
}
|
|
49943
|
-
/** Schema dist/js/schema/software_directory/ml/unit/processing/feature_selection.json */
|
|
49944
|
-
export type SoftwareDirectoryMlUnitProcessingFeatureSelection = {
|
|
49945
|
-
/**
|
|
49946
|
-
* Contains information about the operation used.
|
|
49947
|
-
*/
|
|
49948
|
-
operation: "feature_selection";
|
|
49949
|
-
/**
|
|
49950
|
-
* Contains information about the specific type of the operation used.
|
|
49951
|
-
*/
|
|
49952
|
-
operationType: "filter_based";
|
|
49953
|
-
/**
|
|
49954
|
-
* unit input (type to be specified by the child units)
|
|
49955
|
-
*/
|
|
49956
|
-
inputData: {
|
|
49957
|
-
/**
|
|
49958
|
-
* number of features to select for model training. If equal to 0, will use all available features
|
|
49959
|
-
*/
|
|
49960
|
-
nFeatures: number;
|
|
49961
|
-
/**
|
|
49962
|
-
* feature selection algorithm following sklearn.feature_selection
|
|
49963
|
-
*/
|
|
49964
|
-
algorithm: "f_regression";
|
|
49965
|
-
};
|
|
49966
|
-
/**
|
|
49967
|
-
* type of the unit
|
|
49968
|
-
*/
|
|
49969
|
-
type: "processing";
|
|
49970
|
-
/**
|
|
49971
|
-
* entity identity
|
|
49972
|
-
*/
|
|
49973
|
-
_id?: string;
|
|
49974
|
-
isDraft?: boolean;
|
|
49975
|
-
/**
|
|
49976
|
-
* name of the unit. e.g. pw_scf
|
|
49977
|
-
*/
|
|
49978
|
-
name?: string;
|
|
49979
|
-
/**
|
|
49980
|
-
* Status of the unit.
|
|
49981
|
-
*/
|
|
49982
|
-
status?: "idle" | "active" | "warning" | "error" | "finished";
|
|
49983
|
-
/**
|
|
49984
|
-
* Whether this unit is the first one to be executed.
|
|
49985
|
-
*/
|
|
49986
|
-
head?: boolean;
|
|
49987
|
-
/**
|
|
49988
|
-
* Identity of the unit in the workflow. Used to trace the execution flow of the workflow.
|
|
49989
|
-
*/
|
|
49990
|
-
flowchartId: string;
|
|
49991
|
-
/**
|
|
49992
|
-
* Next unit's flowchartId. If empty, the current unit is the last.
|
|
49993
|
-
*/
|
|
49994
|
-
next?: string;
|
|
49995
|
-
/**
|
|
49996
|
-
* Whether Rupy should attempt to use Jinja templating to add context variables into the unit
|
|
49997
|
-
*/
|
|
49998
|
-
enableRender?: boolean;
|
|
49999
|
-
context?: {};
|
|
50000
|
-
/**
|
|
50001
|
-
* entity slug
|
|
50002
|
-
*/
|
|
50003
|
-
slug?: string;
|
|
50004
|
-
systemName?: string;
|
|
50005
|
-
/**
|
|
50006
|
-
* entity's schema version. Used to distinct between different schemas.
|
|
50007
|
-
*/
|
|
50008
|
-
schemaVersion?: string;
|
|
50009
|
-
/**
|
|
50010
|
-
* Identifies that entity is defaultable
|
|
50011
|
-
*/
|
|
50012
|
-
isDefault?: boolean;
|
|
50013
|
-
/**
|
|
50014
|
-
* names of the pre-processors for this calculation
|
|
50015
|
-
*/
|
|
50016
|
-
preProcessors?: ({
|
|
50017
|
-
/**
|
|
50018
|
-
* The name of this item. e.g. scf_accuracy
|
|
50019
|
-
*/
|
|
50020
|
-
name: string;
|
|
50021
|
-
} | string)[];
|
|
50022
|
-
/**
|
|
50023
|
-
* names of the post-processors for this calculation
|
|
50024
|
-
*/
|
|
50025
|
-
postProcessors?: ({
|
|
50026
|
-
/**
|
|
50027
|
-
* The name of this item. e.g. scf_accuracy
|
|
50028
|
-
*/
|
|
50029
|
-
name: string;
|
|
50030
|
-
} | string)[];
|
|
50031
|
-
/**
|
|
50032
|
-
* names of the monitors for this calculation
|
|
50033
|
-
*/
|
|
50034
|
-
monitors?: ({
|
|
50035
|
-
/**
|
|
50036
|
-
* The name of this item. e.g. scf_accuracy
|
|
50037
|
-
*/
|
|
50038
|
-
name: string;
|
|
50039
|
-
} | string)[];
|
|
50040
|
-
/**
|
|
50041
|
-
* names of the results for this calculation
|
|
50042
|
-
*/
|
|
50043
|
-
results?: ({
|
|
50044
|
-
/**
|
|
50045
|
-
* The name of this item. e.g. scf_accuracy
|
|
50046
|
-
*/
|
|
50047
|
-
name: string;
|
|
50048
|
-
} | string)[];
|
|
50049
|
-
/**
|
|
50050
|
-
* entity tags
|
|
50051
|
-
*/
|
|
50052
|
-
tags?: string[];
|
|
50053
|
-
statusTrack?: {
|
|
50054
|
-
trackedAt: number;
|
|
50055
|
-
status: string;
|
|
50056
|
-
repetition?: number;
|
|
50057
|
-
}[];
|
|
50058
|
-
[k: string]: unknown;
|
|
50059
|
-
};
|
|
50060
|
-
/** Schema dist/js/schema/software_directory/ml/unit/processing.json */
|
|
50061
|
-
export type SoftwareDirectoryMlUnitProcessing = {
|
|
50062
|
-
/**
|
|
50063
|
-
* Contains information about the operation used.
|
|
50064
|
-
*/
|
|
50065
|
-
operation: "data_transformation";
|
|
50066
|
-
/**
|
|
50067
|
-
* Contains information about the specific type of the operation used.
|
|
50068
|
-
*/
|
|
50069
|
-
operationType: "scale_and_reduce";
|
|
50070
|
-
/**
|
|
50071
|
-
* unit input (type to be specified by the child units)
|
|
50072
|
-
*/
|
|
50073
|
-
inputData: {
|
|
50074
|
-
/**
|
|
50075
|
-
* type of scaler to be applied
|
|
50076
|
-
*/
|
|
50077
|
-
scaler: "standard_scaler";
|
|
50078
|
-
/**
|
|
50079
|
-
* per-feature scaling data
|
|
50080
|
-
*/
|
|
50081
|
-
perFeature?: {
|
|
50082
|
-
/**
|
|
50083
|
-
* variance in original training data
|
|
50084
|
-
*/
|
|
50085
|
-
variance?: number;
|
|
50086
|
-
/**
|
|
50087
|
-
* mean value of the original training data
|
|
50088
|
-
*/
|
|
50089
|
-
mean?: number;
|
|
50090
|
-
/**
|
|
50091
|
-
* scale multiplier for this feature/property
|
|
50092
|
-
*/
|
|
50093
|
-
scale: number;
|
|
50094
|
-
/**
|
|
50095
|
-
* feature/property name in 'flattened' format
|
|
50096
|
-
*/
|
|
50097
|
-
name: string;
|
|
50098
|
-
}[];
|
|
50099
|
-
};
|
|
50100
|
-
/**
|
|
50101
|
-
* type of the unit
|
|
50102
|
-
*/
|
|
50103
|
-
type: "processing";
|
|
50104
|
-
/**
|
|
50105
|
-
* entity identity
|
|
50106
|
-
*/
|
|
50107
|
-
_id?: string;
|
|
50108
|
-
isDraft?: boolean;
|
|
50109
|
-
/**
|
|
50110
|
-
* name of the unit. e.g. pw_scf
|
|
50111
|
-
*/
|
|
50112
|
-
name?: string;
|
|
50113
|
-
/**
|
|
50114
|
-
* Status of the unit.
|
|
50115
|
-
*/
|
|
50116
|
-
status?: "idle" | "active" | "warning" | "error" | "finished";
|
|
50117
|
-
/**
|
|
50118
|
-
* Whether this unit is the first one to be executed.
|
|
50119
|
-
*/
|
|
50120
|
-
head?: boolean;
|
|
50121
|
-
/**
|
|
50122
|
-
* Identity of the unit in the workflow. Used to trace the execution flow of the workflow.
|
|
50123
|
-
*/
|
|
50124
|
-
flowchartId: string;
|
|
50125
|
-
/**
|
|
50126
|
-
* Next unit's flowchartId. If empty, the current unit is the last.
|
|
50127
|
-
*/
|
|
50128
|
-
next?: string;
|
|
50129
|
-
/**
|
|
50130
|
-
* Whether Rupy should attempt to use Jinja templating to add context variables into the unit
|
|
50131
|
-
*/
|
|
50132
|
-
enableRender?: boolean;
|
|
50133
|
-
context?: {};
|
|
50134
|
-
/**
|
|
50135
|
-
* entity slug
|
|
50136
|
-
*/
|
|
50137
|
-
slug?: string;
|
|
50138
|
-
systemName?: string;
|
|
50139
|
-
/**
|
|
50140
|
-
* entity's schema version. Used to distinct between different schemas.
|
|
50141
|
-
*/
|
|
50142
|
-
schemaVersion?: string;
|
|
50143
|
-
/**
|
|
50144
|
-
* Identifies that entity is defaultable
|
|
50145
|
-
*/
|
|
50146
|
-
isDefault?: boolean;
|
|
50147
|
-
/**
|
|
50148
|
-
* names of the pre-processors for this calculation
|
|
50149
|
-
*/
|
|
50150
|
-
preProcessors?: ({
|
|
50151
|
-
/**
|
|
50152
|
-
* The name of this item. e.g. scf_accuracy
|
|
50153
|
-
*/
|
|
50154
|
-
name: string;
|
|
50155
|
-
} | string)[];
|
|
50156
|
-
/**
|
|
50157
|
-
* names of the post-processors for this calculation
|
|
50158
|
-
*/
|
|
50159
|
-
postProcessors?: ({
|
|
50160
|
-
/**
|
|
50161
|
-
* The name of this item. e.g. scf_accuracy
|
|
50162
|
-
*/
|
|
50163
|
-
name: string;
|
|
50164
|
-
} | string)[];
|
|
50165
|
-
/**
|
|
50166
|
-
* names of the monitors for this calculation
|
|
50167
|
-
*/
|
|
50168
|
-
monitors?: ({
|
|
50169
|
-
/**
|
|
50170
|
-
* The name of this item. e.g. scf_accuracy
|
|
50171
|
-
*/
|
|
50172
|
-
name: string;
|
|
50173
|
-
} | string)[];
|
|
50174
|
-
/**
|
|
50175
|
-
* names of the results for this calculation
|
|
50176
|
-
*/
|
|
50177
|
-
results?: ({
|
|
50178
|
-
/**
|
|
50179
|
-
* The name of this item. e.g. scf_accuracy
|
|
50180
|
-
*/
|
|
50181
|
-
name: string;
|
|
50182
|
-
} | string)[];
|
|
50183
|
-
/**
|
|
50184
|
-
* entity tags
|
|
50185
|
-
*/
|
|
50186
|
-
tags?: string[];
|
|
50187
|
-
statusTrack?: {
|
|
50188
|
-
trackedAt: number;
|
|
50189
|
-
status: string;
|
|
50190
|
-
repetition?: number;
|
|
50191
|
-
}[];
|
|
50192
|
-
[k: string]: unknown;
|
|
50193
|
-
} | {
|
|
50194
|
-
/**
|
|
50195
|
-
* Contains information about the operation used.
|
|
50196
|
-
*/
|
|
50197
|
-
operation: "feature_selection";
|
|
50198
|
-
/**
|
|
50199
|
-
* Contains information about the specific type of the operation used.
|
|
50200
|
-
*/
|
|
50201
|
-
operationType: "filter_based";
|
|
50202
|
-
/**
|
|
50203
|
-
* unit input (type to be specified by the child units)
|
|
50204
|
-
*/
|
|
50205
|
-
inputData: {
|
|
50206
|
-
/**
|
|
50207
|
-
* number of features to select for model training. If equal to 0, will use all available features
|
|
50208
|
-
*/
|
|
50209
|
-
nFeatures: number;
|
|
50210
|
-
/**
|
|
50211
|
-
* feature selection algorithm following sklearn.feature_selection
|
|
50212
|
-
*/
|
|
50213
|
-
algorithm: "f_regression";
|
|
50214
|
-
};
|
|
50215
|
-
/**
|
|
50216
|
-
* type of the unit
|
|
50217
|
-
*/
|
|
50218
|
-
type: "processing";
|
|
50219
|
-
/**
|
|
50220
|
-
* entity identity
|
|
50221
|
-
*/
|
|
50222
|
-
_id?: string;
|
|
50223
|
-
isDraft?: boolean;
|
|
50224
|
-
/**
|
|
50225
|
-
* name of the unit. e.g. pw_scf
|
|
50226
|
-
*/
|
|
50227
|
-
name?: string;
|
|
50228
|
-
/**
|
|
50229
|
-
* Status of the unit.
|
|
50230
|
-
*/
|
|
50231
|
-
status?: "idle" | "active" | "warning" | "error" | "finished";
|
|
50232
|
-
/**
|
|
50233
|
-
* Whether this unit is the first one to be executed.
|
|
50234
|
-
*/
|
|
50235
|
-
head?: boolean;
|
|
50236
|
-
/**
|
|
50237
|
-
* Identity of the unit in the workflow. Used to trace the execution flow of the workflow.
|
|
50238
|
-
*/
|
|
50239
|
-
flowchartId: string;
|
|
50240
|
-
/**
|
|
50241
|
-
* Next unit's flowchartId. If empty, the current unit is the last.
|
|
50242
|
-
*/
|
|
50243
|
-
next?: string;
|
|
50244
|
-
/**
|
|
50245
|
-
* Whether Rupy should attempt to use Jinja templating to add context variables into the unit
|
|
50246
|
-
*/
|
|
50247
|
-
enableRender?: boolean;
|
|
50248
|
-
context?: {};
|
|
50249
|
-
/**
|
|
50250
|
-
* entity slug
|
|
50251
|
-
*/
|
|
50252
|
-
slug?: string;
|
|
50253
|
-
systemName?: string;
|
|
50254
|
-
/**
|
|
50255
|
-
* entity's schema version. Used to distinct between different schemas.
|
|
50256
|
-
*/
|
|
50257
|
-
schemaVersion?: string;
|
|
50258
|
-
/**
|
|
50259
|
-
* Identifies that entity is defaultable
|
|
50260
|
-
*/
|
|
50261
|
-
isDefault?: boolean;
|
|
50262
|
-
/**
|
|
50263
|
-
* names of the pre-processors for this calculation
|
|
50264
|
-
*/
|
|
50265
|
-
preProcessors?: ({
|
|
50266
|
-
/**
|
|
50267
|
-
* The name of this item. e.g. scf_accuracy
|
|
50268
|
-
*/
|
|
50269
|
-
name: string;
|
|
50270
|
-
} | string)[];
|
|
50271
|
-
/**
|
|
50272
|
-
* names of the post-processors for this calculation
|
|
50273
|
-
*/
|
|
50274
|
-
postProcessors?: ({
|
|
50275
|
-
/**
|
|
50276
|
-
* The name of this item. e.g. scf_accuracy
|
|
50277
|
-
*/
|
|
50278
|
-
name: string;
|
|
50279
|
-
} | string)[];
|
|
50280
|
-
/**
|
|
50281
|
-
* names of the monitors for this calculation
|
|
50282
|
-
*/
|
|
50283
|
-
monitors?: ({
|
|
50284
|
-
/**
|
|
50285
|
-
* The name of this item. e.g. scf_accuracy
|
|
50286
|
-
*/
|
|
50287
|
-
name: string;
|
|
50288
|
-
} | string)[];
|
|
50289
|
-
/**
|
|
50290
|
-
* names of the results for this calculation
|
|
50291
|
-
*/
|
|
50292
|
-
results?: ({
|
|
50293
|
-
/**
|
|
50294
|
-
* The name of this item. e.g. scf_accuracy
|
|
50295
|
-
*/
|
|
50296
|
-
name: string;
|
|
50297
|
-
} | string)[];
|
|
50298
|
-
/**
|
|
50299
|
-
* entity tags
|
|
50300
|
-
*/
|
|
50301
|
-
tags?: string[];
|
|
50302
|
-
statusTrack?: {
|
|
50303
|
-
trackedAt: number;
|
|
50304
|
-
status: string;
|
|
50305
|
-
repetition?: number;
|
|
50306
|
-
}[];
|
|
50307
|
-
[k: string]: unknown;
|
|
50308
|
-
};
|
|
50309
47021
|
/** Schema dist/js/schema/software_directory/modeling/deepmd.json */
|
|
50310
47022
|
export interface DeePMDAppSchema {
|
|
50311
47023
|
/**
|