@mat3ra/esse 2026.6.5-0 → 2026.6.16-0
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/esse/JSONSchemasInterface.js +1 -1
- package/dist/js/esse/JSONSchemasInterfaceServer.js +3 -2
- package/dist/js/esse/schemaUtils.js +2 -1
- package/dist/js/esse/server/utils.js +3 -2
- package/dist/js/esse/utils.js +3 -2
- package/dist/js/example/core/reusable/formation_energy_contribution.json +9 -0
- package/dist/js/example/properties_directory/non_scalar/formation_energy_contributions.json +32 -0
- package/dist/js/schema/core/reusable/formation_energy_contribution.json +53 -0
- package/dist/js/schema/job.json +378 -0
- package/dist/js/schema/properties_directory/enum_options.json +8 -1
- package/dist/js/schema/properties_directory/non_scalar/formation_energy_contributions.json +73 -0
- package/dist/js/schema/properties_directory/non_scalar/workflow.json +378 -0
- package/dist/js/schema/property/holder.json +450 -0
- package/dist/js/schema/workflow/base.json +378 -0
- package/dist/js/schema/workflow/subworkflow/mixin.json +189 -0
- package/dist/js/schema/workflow/subworkflow/unit.json +189 -0
- package/dist/js/schema/workflow/subworkflow.json +189 -0
- package/dist/js/schema/workflow/unit/error.json +190 -0
- package/dist/js/schema/workflow/unit/mixins/error.json +18 -0
- package/dist/js/schema/workflow/unit.json +189 -0
- package/dist/js/schema/workflow.json +378 -0
- package/dist/js/schemas.json +1 -1
- package/dist/js/scripts/compileTs.js +1 -1
- package/dist/js/scripts/setSchemaIds.js +1 -1
- package/dist/js/types.d.ts +1694 -76
- package/dist/js/types.js +5 -5
- package/dist/js/utils/ajv.js +5 -4
- package/dist/js/utils/common.js +3 -2
- package/dist/js/utils/filesystem.js +3 -2
- package/example/core/reusable/formation_energy_contribution.json +9 -0
- package/example/properties_directory/non-scalar/formation_energy_contributions.json +32 -0
- package/manifest/properties.yaml +5 -0
- package/package.json +1 -1
- package/schema/core/reusable/formation_energy_contribution.json +53 -0
- package/schema/properties_directory/enum_options.json +8 -1
- package/schema/properties_directory/non-scalar/formation_energy_contributions.json +24 -0
- package/schema/property/holder.json +3 -0
- package/schema/workflow/subworkflow/unit.json +3 -0
- package/schema/workflow/unit/error.json +14 -0
- package/schema/workflow/unit/mixins/error.json +18 -0
- package/schema/workflow/unit.json +3 -0
package/dist/js/types.d.ts
CHANGED
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@@ -5090,6 +5090,40 @@ export interface FileMetadata {
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*/
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filetype?: string;
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}
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+
/** Schema dist/js/schema/core/reusable/formation_energy_contribution.json */
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/**
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* Total energy contribution of one material used in formation energy calculation.
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*/
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export interface FormationEnergyContributionSchema {
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/**
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* formula or label for the material used in the formation energy calculation
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*/
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formula: string;
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/**
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* number of atoms in the material
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*/
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n_atoms: number;
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/**
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* whether the material is an elemental reference
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*/
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is_elemental: boolean;
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/**
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* total energy of the material
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*/
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total_energy: number;
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/**
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* total energy per atom of the material
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*/
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total_energy_per_atom: number;
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/**
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* precision value for the total energy property
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*/
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precision_value: number;
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/**
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* metric used to report total energy precision
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*/
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precision_metric: "unknown" | "KPPRA" | "spacing";
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}
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/** Schema dist/js/schema/core/reusable/frequency_function_matrix.json */
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/**
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* Schema for a function of frequency yielding a nx3 matrix
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@@ -7550,6 +7584,106 @@ export interface JobSchema {
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* Value of the variable. The value content could be a simple integer, string or a python expression. e.g. '0' (initialization), 'sin(x)+1' (expression)
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*/
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value: string | boolean | number;
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} | {
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/**
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* entity identity
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*/
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_id?: string;
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/**
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* entity slug
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*/
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slug?: string;
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systemName?: string;
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/**
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* entity's schema version. Used to distinct between different schemas.
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*/
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schemaVersion?: string;
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/**
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* entity name
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*/
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name: string;
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/**
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* Identifies that entity is defaultable
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*/
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isDefault?: boolean;
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/**
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* names of the pre-processors for this calculation
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*/
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preProcessors: {
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/**
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* The name of this item. e.g. scf_accuracy
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*/
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name: string;
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[k: string]: unknown;
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}[];
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/**
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* names of the post-processors for this calculation
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*/
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postProcessors: {
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/**
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* The name of this item. e.g. scf_accuracy
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*/
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name: string;
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[k: string]: unknown;
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}[];
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/**
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* names of the monitors for this calculation
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*/
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monitors: {
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/**
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* The name of this item. e.g. scf_accuracy
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*/
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name: string;
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[k: string]: unknown;
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}[];
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/**
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* names of the results for this calculation
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*/
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results: {
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/**
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* The name of this item. e.g. scf_accuracy
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*/
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name: string;
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[k: string]: unknown;
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}[];
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/**
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* entity tags
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*/
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tags?: string[];
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/**
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* Status of the unit.
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*/
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status?: "idle" | "active" | "warning" | "error" | "finished";
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statusTrack?: {
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trackedAt: number;
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status: string;
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repetition?: number;
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}[];
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isDraft?: boolean;
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/**
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* type of the unit
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*/
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type: "error";
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/**
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* Whether this unit is the first one to be executed.
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*/
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head?: boolean;
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/**
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* Identity of the unit in the workflow. Used to trace the execution flow of the workflow.
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*/
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flowchartId: string;
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/**
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* Next unit's flowchartId. If empty, the current unit is the last.
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*/
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next?: string;
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7679
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/**
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* Whether Rupy should attempt to use Jinja templating to add context variables into the unit
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+
*/
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enableRender?: boolean;
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/**
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* JSON string with validation/hydration details: { error, json, schema }
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+
*/
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+
reason: string;
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})[];
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7554
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model: {
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|
7555
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type: "dft";
|
|
@@ -8083,6 +8217,106 @@ export interface JobSchema {
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|
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* Whether Rupy should attempt to use Jinja templating to add context variables into the unit
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*/
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8219
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enableRender?: boolean;
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+
} | {
|
|
8221
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+
/**
|
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* entity identity
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*/
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_id?: string;
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/**
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* entity slug
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*/
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slug?: string;
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systemName?: string;
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/**
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8231
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* entity's schema version. Used to distinct between different schemas.
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+
*/
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schemaVersion?: string;
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/**
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* entity name
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+
*/
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name: string;
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8238
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+
/**
|
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8239
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* Identifies that entity is defaultable
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|
8240
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+
*/
|
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8241
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+
isDefault?: boolean;
|
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8242
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+
/**
|
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* names of the pre-processors for this calculation
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+
*/
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preProcessors: {
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/**
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* The name of this item. e.g. scf_accuracy
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*/
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name: string;
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[k: string]: unknown;
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}[];
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/**
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* names of the post-processors for this calculation
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+
*/
|
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postProcessors: {
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/**
|
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* The name of this item. e.g. scf_accuracy
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*/
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name: string;
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[k: string]: unknown;
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+
}[];
|
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8262
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+
/**
|
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8263
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* names of the monitors for this calculation
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+
*/
|
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8265
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monitors: {
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+
/**
|
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* The name of this item. e.g. scf_accuracy
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*/
|
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name: string;
|
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[k: string]: unknown;
|
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+
}[];
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+
/**
|
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8273
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+
* names of the results for this calculation
|
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8274
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+
*/
|
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8275
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results: {
|
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8276
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/**
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* The name of this item. e.g. scf_accuracy
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+
*/
|
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name: string;
|
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[k: string]: unknown;
|
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+
}[];
|
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8282
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+
/**
|
|
8283
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+
* entity tags
|
|
8284
|
+
*/
|
|
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+
tags?: string[];
|
|
8286
|
+
/**
|
|
8287
|
+
* Status of the unit.
|
|
8288
|
+
*/
|
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8289
|
+
status?: "idle" | "active" | "warning" | "error" | "finished";
|
|
8290
|
+
statusTrack?: {
|
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8291
|
+
trackedAt: number;
|
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8292
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+
status: string;
|
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8293
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+
repetition?: number;
|
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+
}[];
|
|
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|
+
isDraft?: boolean;
|
|
8296
|
+
/**
|
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8297
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* type of the unit
|
|
8298
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+
*/
|
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type: "error";
|
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+
/**
|
|
8301
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* Whether this unit is the first one to be executed.
|
|
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|
+
*/
|
|
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|
+
head?: boolean;
|
|
8304
|
+
/**
|
|
8305
|
+
* Identity of the unit in the workflow. Used to trace the execution flow of the workflow.
|
|
8306
|
+
*/
|
|
8307
|
+
flowchartId: string;
|
|
8308
|
+
/**
|
|
8309
|
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* Next unit's flowchartId. If empty, the current unit is the last.
|
|
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|
+
*/
|
|
8311
|
+
next?: string;
|
|
8312
|
+
/**
|
|
8313
|
+
* Whether Rupy should attempt to use Jinja templating to add context variables into the unit
|
|
8314
|
+
*/
|
|
8315
|
+
enableRender?: boolean;
|
|
8316
|
+
/**
|
|
8317
|
+
* JSON string with validation/hydration details: { error, json, schema }
|
|
8318
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+
*/
|
|
8319
|
+
reason: string;
|
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8320
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})[];
|
|
8087
8321
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/**
|
|
8088
8322
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* information about the main application used for workflow categorization by application in standata.
|
|
@@ -52211,7 +52445,7 @@ export type ExternalSource = "ICSD" | "MaterialsProject" | "MaterialsProjectLega
|
|
|
52211
52445
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* This interface was referenced by `PropertiesDirectoryEnumOptions`'s JSON-Schema
|
|
52212
52446
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* via the `definition` "PropertyType".
|
|
52213
52447
|
*/
|
|
52214
|
-
export type PropertyType = "scalar" | "non-scalar" | "tensor" | "object";
|
|
52448
|
+
export type PropertyType = "scalar" | "non-scalar" | "tensor" | "object" | "array-of-objects";
|
|
52215
52449
|
/**
|
|
52216
52450
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* This interface was referenced by `PropertiesDirectoryEnumOptions`'s JSON-Schema
|
|
52217
52451
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* via the `definition` "ScalarPropertyEnum".
|
|
@@ -52232,6 +52466,11 @@ export type TensorPropertyEnum = "atomic_forces" | "magnetic_moments" | "stress_
|
|
|
52232
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* via the `definition` "ObjectPropertyEnum".
|
|
52233
52467
|
*/
|
|
52234
52468
|
export type ObjectPropertyEnum = "total_energy_contributions";
|
|
52469
|
+
/**
|
|
52470
|
+
* This interface was referenced by `PropertiesDirectoryEnumOptions`'s JSON-Schema
|
|
52471
|
+
* via the `definition` "ArrayOfObjectsPropertyEnum".
|
|
52472
|
+
*/
|
|
52473
|
+
export type ArrayOfObjectsPropertyEnum = "formation_energy_contributions";
|
|
52235
52474
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/**
|
|
52236
52475
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* This interface was referenced by `PropertiesDirectoryEnumOptions`'s JSON-Schema
|
|
52237
52476
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* via the `definition` "ProtoPropertyEnum".
|
|
@@ -52513,71 +52752,108 @@ export interface FinalStructurePropertySchema {
|
|
|
52513
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*/
|
|
52514
52753
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materialId: string;
|
|
52515
52754
|
}
|
|
52516
|
-
/** Schema dist/js/schema/properties_directory/non_scalar/
|
|
52755
|
+
/** Schema dist/js/schema/properties_directory/non_scalar/formation_energy_contributions.json */
|
|
52517
52756
|
/**
|
|
52518
|
-
*
|
|
52757
|
+
* Elemental reference total energies used to calculate formation energy.
|
|
52519
52758
|
*/
|
|
52520
|
-
export interface
|
|
52521
|
-
name: "
|
|
52522
|
-
units: "eV";
|
|
52759
|
+
export interface FormationEnergyContributionsPropertySchema {
|
|
52760
|
+
name: "formation_energy_contributions";
|
|
52523
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|
values: {
|
|
52524
52762
|
/**
|
|
52525
|
-
*
|
|
52763
|
+
* formula or label for the material used in the formation energy calculation
|
|
52526
52764
|
*/
|
|
52527
|
-
|
|
52765
|
+
formula: string;
|
|
52528
52766
|
/**
|
|
52529
|
-
*
|
|
52767
|
+
* number of atoms in the material
|
|
52530
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|
*/
|
|
52531
|
-
|
|
52532
|
-
orbitalName: string;
|
|
52769
|
+
n_atoms: number;
|
|
52533
52770
|
/**
|
|
52534
|
-
*
|
|
52771
|
+
* whether the material is an elemental reference
|
|
52535
52772
|
*/
|
|
52536
|
-
|
|
52773
|
+
is_elemental: boolean;
|
|
52774
|
+
/**
|
|
52775
|
+
* total energy of the material
|
|
52776
|
+
*/
|
|
52777
|
+
total_energy: number;
|
|
52778
|
+
/**
|
|
52779
|
+
* total energy per atom of the material
|
|
52780
|
+
*/
|
|
52781
|
+
total_energy_per_atom: number;
|
|
52782
|
+
/**
|
|
52783
|
+
* precision value for the total energy property
|
|
52784
|
+
*/
|
|
52785
|
+
precision_value: number;
|
|
52786
|
+
/**
|
|
52787
|
+
* metric used to report total energy precision
|
|
52788
|
+
*/
|
|
52789
|
+
precision_metric: "unknown" | "KPPRA" | "spacing";
|
|
52537
52790
|
}[];
|
|
52538
52791
|
}
|
|
52539
|
-
/** Schema dist/js/schema/properties_directory/non_scalar/
|
|
52792
|
+
/** Schema dist/js/schema/properties_directory/non_scalar/hubbard_u.json */
|
|
52540
52793
|
/**
|
|
52541
|
-
* Hubbard
|
|
52794
|
+
* Hubbard U values in eV corresponding to atomic species, orbital and site number.
|
|
52542
52795
|
*/
|
|
52543
|
-
export interface
|
|
52544
|
-
name: "
|
|
52796
|
+
export interface HubbardUParametersPropertySchema {
|
|
52797
|
+
name: "hubbard_u";
|
|
52545
52798
|
units: "eV";
|
|
52546
52799
|
values: {
|
|
52547
52800
|
/**
|
|
52548
52801
|
* Site number or index in the lattice
|
|
52549
52802
|
*/
|
|
52550
52803
|
id: number;
|
|
52551
|
-
/**
|
|
52552
|
-
* Site number or index in the lattice of second site
|
|
52553
|
-
*/
|
|
52554
|
-
id2: number;
|
|
52555
52804
|
/**
|
|
52556
52805
|
* Example: Co1, Mn
|
|
52557
52806
|
*/
|
|
52558
52807
|
atomicSpecies: string;
|
|
52559
|
-
|
|
52560
|
-
* Example: Co2, O
|
|
52561
|
-
*/
|
|
52562
|
-
atomicSpecies2: string;
|
|
52563
|
-
orbitalName?: string;
|
|
52564
|
-
orbitalName2?: string;
|
|
52565
|
-
/**
|
|
52566
|
-
* Distance between two sites in Bohr.
|
|
52567
|
-
*/
|
|
52568
|
-
distance?: number;
|
|
52808
|
+
orbitalName: string;
|
|
52569
52809
|
/**
|
|
52570
52810
|
* Value related to a specific property, e.g., Hubbard U, V etc.
|
|
52571
52811
|
*/
|
|
52572
52812
|
value: number;
|
|
52573
52813
|
}[];
|
|
52574
52814
|
}
|
|
52575
|
-
/** Schema dist/js/schema/properties_directory/non_scalar/
|
|
52815
|
+
/** Schema dist/js/schema/properties_directory/non_scalar/hubbard_v.json */
|
|
52576
52816
|
/**
|
|
52577
|
-
* Hubbard V
|
|
52817
|
+
* Hubbard V values corresponding to atomic pairs
|
|
52578
52818
|
*/
|
|
52579
|
-
export interface
|
|
52580
|
-
name: "
|
|
52819
|
+
export interface HubbardVParametersPropertySchema {
|
|
52820
|
+
name: "hubbard_v";
|
|
52821
|
+
units: "eV";
|
|
52822
|
+
values: {
|
|
52823
|
+
/**
|
|
52824
|
+
* Site number or index in the lattice
|
|
52825
|
+
*/
|
|
52826
|
+
id: number;
|
|
52827
|
+
/**
|
|
52828
|
+
* Site number or index in the lattice of second site
|
|
52829
|
+
*/
|
|
52830
|
+
id2: number;
|
|
52831
|
+
/**
|
|
52832
|
+
* Example: Co1, Mn
|
|
52833
|
+
*/
|
|
52834
|
+
atomicSpecies: string;
|
|
52835
|
+
/**
|
|
52836
|
+
* Example: Co2, O
|
|
52837
|
+
*/
|
|
52838
|
+
atomicSpecies2: string;
|
|
52839
|
+
orbitalName?: string;
|
|
52840
|
+
orbitalName2?: string;
|
|
52841
|
+
/**
|
|
52842
|
+
* Distance between two sites in Bohr.
|
|
52843
|
+
*/
|
|
52844
|
+
distance?: number;
|
|
52845
|
+
/**
|
|
52846
|
+
* Value related to a specific property, e.g., Hubbard U, V etc.
|
|
52847
|
+
*/
|
|
52848
|
+
value: number;
|
|
52849
|
+
}[];
|
|
52850
|
+
}
|
|
52851
|
+
/** Schema dist/js/schema/properties_directory/non_scalar/hubbard_v_nn.json */
|
|
52852
|
+
/**
|
|
52853
|
+
* Hubbard V value in eV for nearest neighbors used in hp.x output parsing
|
|
52854
|
+
*/
|
|
52855
|
+
export interface HubbardVNNParametersPropertySchema {
|
|
52856
|
+
name: "hubbard_v_nn";
|
|
52581
52857
|
units: "eV";
|
|
52582
52858
|
values: {
|
|
52583
52859
|
/**
|
|
@@ -54609,6 +54885,106 @@ export interface WorkflowPropertySchema {
|
|
|
54609
54885
|
* Value of the variable. The value content could be a simple integer, string or a python expression. e.g. '0' (initialization), 'sin(x)+1' (expression)
|
|
54610
54886
|
*/
|
|
54611
54887
|
value: string | boolean | number;
|
|
54888
|
+
} | {
|
|
54889
|
+
/**
|
|
54890
|
+
* entity identity
|
|
54891
|
+
*/
|
|
54892
|
+
_id?: string;
|
|
54893
|
+
/**
|
|
54894
|
+
* entity slug
|
|
54895
|
+
*/
|
|
54896
|
+
slug?: string;
|
|
54897
|
+
systemName?: string;
|
|
54898
|
+
/**
|
|
54899
|
+
* entity's schema version. Used to distinct between different schemas.
|
|
54900
|
+
*/
|
|
54901
|
+
schemaVersion?: string;
|
|
54902
|
+
/**
|
|
54903
|
+
* entity name
|
|
54904
|
+
*/
|
|
54905
|
+
name: string;
|
|
54906
|
+
/**
|
|
54907
|
+
* Identifies that entity is defaultable
|
|
54908
|
+
*/
|
|
54909
|
+
isDefault?: boolean;
|
|
54910
|
+
/**
|
|
54911
|
+
* names of the pre-processors for this calculation
|
|
54912
|
+
*/
|
|
54913
|
+
preProcessors: {
|
|
54914
|
+
/**
|
|
54915
|
+
* The name of this item. e.g. scf_accuracy
|
|
54916
|
+
*/
|
|
54917
|
+
name: string;
|
|
54918
|
+
[k: string]: unknown;
|
|
54919
|
+
}[];
|
|
54920
|
+
/**
|
|
54921
|
+
* names of the post-processors for this calculation
|
|
54922
|
+
*/
|
|
54923
|
+
postProcessors: {
|
|
54924
|
+
/**
|
|
54925
|
+
* The name of this item. e.g. scf_accuracy
|
|
54926
|
+
*/
|
|
54927
|
+
name: string;
|
|
54928
|
+
[k: string]: unknown;
|
|
54929
|
+
}[];
|
|
54930
|
+
/**
|
|
54931
|
+
* names of the monitors for this calculation
|
|
54932
|
+
*/
|
|
54933
|
+
monitors: {
|
|
54934
|
+
/**
|
|
54935
|
+
* The name of this item. e.g. scf_accuracy
|
|
54936
|
+
*/
|
|
54937
|
+
name: string;
|
|
54938
|
+
[k: string]: unknown;
|
|
54939
|
+
}[];
|
|
54940
|
+
/**
|
|
54941
|
+
* names of the results for this calculation
|
|
54942
|
+
*/
|
|
54943
|
+
results: {
|
|
54944
|
+
/**
|
|
54945
|
+
* The name of this item. e.g. scf_accuracy
|
|
54946
|
+
*/
|
|
54947
|
+
name: string;
|
|
54948
|
+
[k: string]: unknown;
|
|
54949
|
+
}[];
|
|
54950
|
+
/**
|
|
54951
|
+
* entity tags
|
|
54952
|
+
*/
|
|
54953
|
+
tags?: string[];
|
|
54954
|
+
/**
|
|
54955
|
+
* Status of the unit.
|
|
54956
|
+
*/
|
|
54957
|
+
status?: "idle" | "active" | "warning" | "error" | "finished";
|
|
54958
|
+
statusTrack?: {
|
|
54959
|
+
trackedAt: number;
|
|
54960
|
+
status: string;
|
|
54961
|
+
repetition?: number;
|
|
54962
|
+
}[];
|
|
54963
|
+
isDraft?: boolean;
|
|
54964
|
+
/**
|
|
54965
|
+
* type of the unit
|
|
54966
|
+
*/
|
|
54967
|
+
type: "error";
|
|
54968
|
+
/**
|
|
54969
|
+
* Whether this unit is the first one to be executed.
|
|
54970
|
+
*/
|
|
54971
|
+
head?: boolean;
|
|
54972
|
+
/**
|
|
54973
|
+
* Identity of the unit in the workflow. Used to trace the execution flow of the workflow.
|
|
54974
|
+
*/
|
|
54975
|
+
flowchartId: string;
|
|
54976
|
+
/**
|
|
54977
|
+
* Next unit's flowchartId. If empty, the current unit is the last.
|
|
54978
|
+
*/
|
|
54979
|
+
next?: string;
|
|
54980
|
+
/**
|
|
54981
|
+
* Whether Rupy should attempt to use Jinja templating to add context variables into the unit
|
|
54982
|
+
*/
|
|
54983
|
+
enableRender?: boolean;
|
|
54984
|
+
/**
|
|
54985
|
+
* JSON string with validation/hydration details: { error, json, schema }
|
|
54986
|
+
*/
|
|
54987
|
+
reason: string;
|
|
54612
54988
|
})[];
|
|
54613
54989
|
model: {
|
|
54614
54990
|
type: "dft";
|
|
@@ -55142,6 +55518,106 @@ export interface WorkflowPropertySchema {
|
|
|
55142
55518
|
* Whether Rupy should attempt to use Jinja templating to add context variables into the unit
|
|
55143
55519
|
*/
|
|
55144
55520
|
enableRender?: boolean;
|
|
55521
|
+
} | {
|
|
55522
|
+
/**
|
|
55523
|
+
* entity identity
|
|
55524
|
+
*/
|
|
55525
|
+
_id?: string;
|
|
55526
|
+
/**
|
|
55527
|
+
* entity slug
|
|
55528
|
+
*/
|
|
55529
|
+
slug?: string;
|
|
55530
|
+
systemName?: string;
|
|
55531
|
+
/**
|
|
55532
|
+
* entity's schema version. Used to distinct between different schemas.
|
|
55533
|
+
*/
|
|
55534
|
+
schemaVersion?: string;
|
|
55535
|
+
/**
|
|
55536
|
+
* entity name
|
|
55537
|
+
*/
|
|
55538
|
+
name: string;
|
|
55539
|
+
/**
|
|
55540
|
+
* Identifies that entity is defaultable
|
|
55541
|
+
*/
|
|
55542
|
+
isDefault?: boolean;
|
|
55543
|
+
/**
|
|
55544
|
+
* names of the pre-processors for this calculation
|
|
55545
|
+
*/
|
|
55546
|
+
preProcessors: {
|
|
55547
|
+
/**
|
|
55548
|
+
* The name of this item. e.g. scf_accuracy
|
|
55549
|
+
*/
|
|
55550
|
+
name: string;
|
|
55551
|
+
[k: string]: unknown;
|
|
55552
|
+
}[];
|
|
55553
|
+
/**
|
|
55554
|
+
* names of the post-processors for this calculation
|
|
55555
|
+
*/
|
|
55556
|
+
postProcessors: {
|
|
55557
|
+
/**
|
|
55558
|
+
* The name of this item. e.g. scf_accuracy
|
|
55559
|
+
*/
|
|
55560
|
+
name: string;
|
|
55561
|
+
[k: string]: unknown;
|
|
55562
|
+
}[];
|
|
55563
|
+
/**
|
|
55564
|
+
* names of the monitors for this calculation
|
|
55565
|
+
*/
|
|
55566
|
+
monitors: {
|
|
55567
|
+
/**
|
|
55568
|
+
* The name of this item. e.g. scf_accuracy
|
|
55569
|
+
*/
|
|
55570
|
+
name: string;
|
|
55571
|
+
[k: string]: unknown;
|
|
55572
|
+
}[];
|
|
55573
|
+
/**
|
|
55574
|
+
* names of the results for this calculation
|
|
55575
|
+
*/
|
|
55576
|
+
results: {
|
|
55577
|
+
/**
|
|
55578
|
+
* The name of this item. e.g. scf_accuracy
|
|
55579
|
+
*/
|
|
55580
|
+
name: string;
|
|
55581
|
+
[k: string]: unknown;
|
|
55582
|
+
}[];
|
|
55583
|
+
/**
|
|
55584
|
+
* entity tags
|
|
55585
|
+
*/
|
|
55586
|
+
tags?: string[];
|
|
55587
|
+
/**
|
|
55588
|
+
* Status of the unit.
|
|
55589
|
+
*/
|
|
55590
|
+
status?: "idle" | "active" | "warning" | "error" | "finished";
|
|
55591
|
+
statusTrack?: {
|
|
55592
|
+
trackedAt: number;
|
|
55593
|
+
status: string;
|
|
55594
|
+
repetition?: number;
|
|
55595
|
+
}[];
|
|
55596
|
+
isDraft?: boolean;
|
|
55597
|
+
/**
|
|
55598
|
+
* type of the unit
|
|
55599
|
+
*/
|
|
55600
|
+
type: "error";
|
|
55601
|
+
/**
|
|
55602
|
+
* Whether this unit is the first one to be executed.
|
|
55603
|
+
*/
|
|
55604
|
+
head?: boolean;
|
|
55605
|
+
/**
|
|
55606
|
+
* Identity of the unit in the workflow. Used to trace the execution flow of the workflow.
|
|
55607
|
+
*/
|
|
55608
|
+
flowchartId: string;
|
|
55609
|
+
/**
|
|
55610
|
+
* Next unit's flowchartId. If empty, the current unit is the last.
|
|
55611
|
+
*/
|
|
55612
|
+
next?: string;
|
|
55613
|
+
/**
|
|
55614
|
+
* Whether Rupy should attempt to use Jinja templating to add context variables into the unit
|
|
55615
|
+
*/
|
|
55616
|
+
enableRender?: boolean;
|
|
55617
|
+
/**
|
|
55618
|
+
* JSON string with validation/hydration details: { error, json, schema }
|
|
55619
|
+
*/
|
|
55620
|
+
reason: string;
|
|
55145
55621
|
})[];
|
|
55146
55622
|
/**
|
|
55147
55623
|
* information about the main application used for workflow categorization by application in standata.
|
|
@@ -56178,6 +56654,38 @@ export interface PropertyHolderSchema {
|
|
|
56178
56654
|
};
|
|
56179
56655
|
name: "total_energy_contributions";
|
|
56180
56656
|
units?: "kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom";
|
|
56657
|
+
} | {
|
|
56658
|
+
name: "formation_energy_contributions";
|
|
56659
|
+
values: {
|
|
56660
|
+
/**
|
|
56661
|
+
* formula or label for the material used in the formation energy calculation
|
|
56662
|
+
*/
|
|
56663
|
+
formula: string;
|
|
56664
|
+
/**
|
|
56665
|
+
* number of atoms in the material
|
|
56666
|
+
*/
|
|
56667
|
+
n_atoms: number;
|
|
56668
|
+
/**
|
|
56669
|
+
* whether the material is an elemental reference
|
|
56670
|
+
*/
|
|
56671
|
+
is_elemental: boolean;
|
|
56672
|
+
/**
|
|
56673
|
+
* total energy of the material
|
|
56674
|
+
*/
|
|
56675
|
+
total_energy: number;
|
|
56676
|
+
/**
|
|
56677
|
+
* total energy per atom of the material
|
|
56678
|
+
*/
|
|
56679
|
+
total_energy_per_atom: number;
|
|
56680
|
+
/**
|
|
56681
|
+
* precision value for the total energy property
|
|
56682
|
+
*/
|
|
56683
|
+
precision_value: number;
|
|
56684
|
+
/**
|
|
56685
|
+
* metric used to report total energy precision
|
|
56686
|
+
*/
|
|
56687
|
+
precision_metric: "unknown" | "KPPRA" | "spacing";
|
|
56688
|
+
}[];
|
|
56181
56689
|
} | {
|
|
56182
56690
|
xAxis: {
|
|
56183
56691
|
/**
|
|
@@ -58226,6 +58734,106 @@ export interface PropertyHolderSchema {
|
|
|
58226
58734
|
* Value of the variable. The value content could be a simple integer, string or a python expression. e.g. '0' (initialization), 'sin(x)+1' (expression)
|
|
58227
58735
|
*/
|
|
58228
58736
|
value: string | boolean | number;
|
|
58737
|
+
} | {
|
|
58738
|
+
/**
|
|
58739
|
+
* entity identity
|
|
58740
|
+
*/
|
|
58741
|
+
_id?: string;
|
|
58742
|
+
/**
|
|
58743
|
+
* entity slug
|
|
58744
|
+
*/
|
|
58745
|
+
slug?: string;
|
|
58746
|
+
systemName?: string;
|
|
58747
|
+
/**
|
|
58748
|
+
* entity's schema version. Used to distinct between different schemas.
|
|
58749
|
+
*/
|
|
58750
|
+
schemaVersion?: string;
|
|
58751
|
+
/**
|
|
58752
|
+
* entity name
|
|
58753
|
+
*/
|
|
58754
|
+
name: string;
|
|
58755
|
+
/**
|
|
58756
|
+
* Identifies that entity is defaultable
|
|
58757
|
+
*/
|
|
58758
|
+
isDefault?: boolean;
|
|
58759
|
+
/**
|
|
58760
|
+
* names of the pre-processors for this calculation
|
|
58761
|
+
*/
|
|
58762
|
+
preProcessors: {
|
|
58763
|
+
/**
|
|
58764
|
+
* The name of this item. e.g. scf_accuracy
|
|
58765
|
+
*/
|
|
58766
|
+
name: string;
|
|
58767
|
+
[k: string]: unknown;
|
|
58768
|
+
}[];
|
|
58769
|
+
/**
|
|
58770
|
+
* names of the post-processors for this calculation
|
|
58771
|
+
*/
|
|
58772
|
+
postProcessors: {
|
|
58773
|
+
/**
|
|
58774
|
+
* The name of this item. e.g. scf_accuracy
|
|
58775
|
+
*/
|
|
58776
|
+
name: string;
|
|
58777
|
+
[k: string]: unknown;
|
|
58778
|
+
}[];
|
|
58779
|
+
/**
|
|
58780
|
+
* names of the monitors for this calculation
|
|
58781
|
+
*/
|
|
58782
|
+
monitors: {
|
|
58783
|
+
/**
|
|
58784
|
+
* The name of this item. e.g. scf_accuracy
|
|
58785
|
+
*/
|
|
58786
|
+
name: string;
|
|
58787
|
+
[k: string]: unknown;
|
|
58788
|
+
}[];
|
|
58789
|
+
/**
|
|
58790
|
+
* names of the results for this calculation
|
|
58791
|
+
*/
|
|
58792
|
+
results: {
|
|
58793
|
+
/**
|
|
58794
|
+
* The name of this item. e.g. scf_accuracy
|
|
58795
|
+
*/
|
|
58796
|
+
name: string;
|
|
58797
|
+
[k: string]: unknown;
|
|
58798
|
+
}[];
|
|
58799
|
+
/**
|
|
58800
|
+
* entity tags
|
|
58801
|
+
*/
|
|
58802
|
+
tags?: string[];
|
|
58803
|
+
/**
|
|
58804
|
+
* Status of the unit.
|
|
58805
|
+
*/
|
|
58806
|
+
status?: "idle" | "active" | "warning" | "error" | "finished";
|
|
58807
|
+
statusTrack?: {
|
|
58808
|
+
trackedAt: number;
|
|
58809
|
+
status: string;
|
|
58810
|
+
repetition?: number;
|
|
58811
|
+
}[];
|
|
58812
|
+
isDraft?: boolean;
|
|
58813
|
+
/**
|
|
58814
|
+
* type of the unit
|
|
58815
|
+
*/
|
|
58816
|
+
type: "error";
|
|
58817
|
+
/**
|
|
58818
|
+
* Whether this unit is the first one to be executed.
|
|
58819
|
+
*/
|
|
58820
|
+
head?: boolean;
|
|
58821
|
+
/**
|
|
58822
|
+
* Identity of the unit in the workflow. Used to trace the execution flow of the workflow.
|
|
58823
|
+
*/
|
|
58824
|
+
flowchartId: string;
|
|
58825
|
+
/**
|
|
58826
|
+
* Next unit's flowchartId. If empty, the current unit is the last.
|
|
58827
|
+
*/
|
|
58828
|
+
next?: string;
|
|
58829
|
+
/**
|
|
58830
|
+
* Whether Rupy should attempt to use Jinja templating to add context variables into the unit
|
|
58831
|
+
*/
|
|
58832
|
+
enableRender?: boolean;
|
|
58833
|
+
/**
|
|
58834
|
+
* JSON string with validation/hydration details: { error, json, schema }
|
|
58835
|
+
*/
|
|
58836
|
+
reason: string;
|
|
58229
58837
|
})[];
|
|
58230
58838
|
model: {
|
|
58231
58839
|
type: "dft";
|
|
@@ -58759,6 +59367,106 @@ export interface PropertyHolderSchema {
|
|
|
58759
59367
|
* Whether Rupy should attempt to use Jinja templating to add context variables into the unit
|
|
58760
59368
|
*/
|
|
58761
59369
|
enableRender?: boolean;
|
|
59370
|
+
} | {
|
|
59371
|
+
/**
|
|
59372
|
+
* entity identity
|
|
59373
|
+
*/
|
|
59374
|
+
_id?: string;
|
|
59375
|
+
/**
|
|
59376
|
+
* entity slug
|
|
59377
|
+
*/
|
|
59378
|
+
slug?: string;
|
|
59379
|
+
systemName?: string;
|
|
59380
|
+
/**
|
|
59381
|
+
* entity's schema version. Used to distinct between different schemas.
|
|
59382
|
+
*/
|
|
59383
|
+
schemaVersion?: string;
|
|
59384
|
+
/**
|
|
59385
|
+
* entity name
|
|
59386
|
+
*/
|
|
59387
|
+
name: string;
|
|
59388
|
+
/**
|
|
59389
|
+
* Identifies that entity is defaultable
|
|
59390
|
+
*/
|
|
59391
|
+
isDefault?: boolean;
|
|
59392
|
+
/**
|
|
59393
|
+
* names of the pre-processors for this calculation
|
|
59394
|
+
*/
|
|
59395
|
+
preProcessors: {
|
|
59396
|
+
/**
|
|
59397
|
+
* The name of this item. e.g. scf_accuracy
|
|
59398
|
+
*/
|
|
59399
|
+
name: string;
|
|
59400
|
+
[k: string]: unknown;
|
|
59401
|
+
}[];
|
|
59402
|
+
/**
|
|
59403
|
+
* names of the post-processors for this calculation
|
|
59404
|
+
*/
|
|
59405
|
+
postProcessors: {
|
|
59406
|
+
/**
|
|
59407
|
+
* The name of this item. e.g. scf_accuracy
|
|
59408
|
+
*/
|
|
59409
|
+
name: string;
|
|
59410
|
+
[k: string]: unknown;
|
|
59411
|
+
}[];
|
|
59412
|
+
/**
|
|
59413
|
+
* names of the monitors for this calculation
|
|
59414
|
+
*/
|
|
59415
|
+
monitors: {
|
|
59416
|
+
/**
|
|
59417
|
+
* The name of this item. e.g. scf_accuracy
|
|
59418
|
+
*/
|
|
59419
|
+
name: string;
|
|
59420
|
+
[k: string]: unknown;
|
|
59421
|
+
}[];
|
|
59422
|
+
/**
|
|
59423
|
+
* names of the results for this calculation
|
|
59424
|
+
*/
|
|
59425
|
+
results: {
|
|
59426
|
+
/**
|
|
59427
|
+
* The name of this item. e.g. scf_accuracy
|
|
59428
|
+
*/
|
|
59429
|
+
name: string;
|
|
59430
|
+
[k: string]: unknown;
|
|
59431
|
+
}[];
|
|
59432
|
+
/**
|
|
59433
|
+
* entity tags
|
|
59434
|
+
*/
|
|
59435
|
+
tags?: string[];
|
|
59436
|
+
/**
|
|
59437
|
+
* Status of the unit.
|
|
59438
|
+
*/
|
|
59439
|
+
status?: "idle" | "active" | "warning" | "error" | "finished";
|
|
59440
|
+
statusTrack?: {
|
|
59441
|
+
trackedAt: number;
|
|
59442
|
+
status: string;
|
|
59443
|
+
repetition?: number;
|
|
59444
|
+
}[];
|
|
59445
|
+
isDraft?: boolean;
|
|
59446
|
+
/**
|
|
59447
|
+
* type of the unit
|
|
59448
|
+
*/
|
|
59449
|
+
type: "error";
|
|
59450
|
+
/**
|
|
59451
|
+
* Whether this unit is the first one to be executed.
|
|
59452
|
+
*/
|
|
59453
|
+
head?: boolean;
|
|
59454
|
+
/**
|
|
59455
|
+
* Identity of the unit in the workflow. Used to trace the execution flow of the workflow.
|
|
59456
|
+
*/
|
|
59457
|
+
flowchartId: string;
|
|
59458
|
+
/**
|
|
59459
|
+
* Next unit's flowchartId. If empty, the current unit is the last.
|
|
59460
|
+
*/
|
|
59461
|
+
next?: string;
|
|
59462
|
+
/**
|
|
59463
|
+
* Whether Rupy should attempt to use Jinja templating to add context variables into the unit
|
|
59464
|
+
*/
|
|
59465
|
+
enableRender?: boolean;
|
|
59466
|
+
/**
|
|
59467
|
+
* JSON string with validation/hydration details: { error, json, schema }
|
|
59468
|
+
*/
|
|
59469
|
+
reason: string;
|
|
58762
59470
|
})[];
|
|
58763
59471
|
/**
|
|
58764
59472
|
* information about the main application used for workflow categorization by application in standata.
|
|
@@ -64221,6 +64929,106 @@ export interface BaseWorkflowSchema {
|
|
|
64221
64929
|
* Value of the variable. The value content could be a simple integer, string or a python expression. e.g. '0' (initialization), 'sin(x)+1' (expression)
|
|
64222
64930
|
*/
|
|
64223
64931
|
value: string | boolean | number;
|
|
64932
|
+
} | {
|
|
64933
|
+
/**
|
|
64934
|
+
* entity identity
|
|
64935
|
+
*/
|
|
64936
|
+
_id?: string;
|
|
64937
|
+
/**
|
|
64938
|
+
* entity slug
|
|
64939
|
+
*/
|
|
64940
|
+
slug?: string;
|
|
64941
|
+
systemName?: string;
|
|
64942
|
+
/**
|
|
64943
|
+
* entity's schema version. Used to distinct between different schemas.
|
|
64944
|
+
*/
|
|
64945
|
+
schemaVersion?: string;
|
|
64946
|
+
/**
|
|
64947
|
+
* entity name
|
|
64948
|
+
*/
|
|
64949
|
+
name: string;
|
|
64950
|
+
/**
|
|
64951
|
+
* Identifies that entity is defaultable
|
|
64952
|
+
*/
|
|
64953
|
+
isDefault?: boolean;
|
|
64954
|
+
/**
|
|
64955
|
+
* names of the pre-processors for this calculation
|
|
64956
|
+
*/
|
|
64957
|
+
preProcessors: {
|
|
64958
|
+
/**
|
|
64959
|
+
* The name of this item. e.g. scf_accuracy
|
|
64960
|
+
*/
|
|
64961
|
+
name: string;
|
|
64962
|
+
[k: string]: unknown;
|
|
64963
|
+
}[];
|
|
64964
|
+
/**
|
|
64965
|
+
* names of the post-processors for this calculation
|
|
64966
|
+
*/
|
|
64967
|
+
postProcessors: {
|
|
64968
|
+
/**
|
|
64969
|
+
* The name of this item. e.g. scf_accuracy
|
|
64970
|
+
*/
|
|
64971
|
+
name: string;
|
|
64972
|
+
[k: string]: unknown;
|
|
64973
|
+
}[];
|
|
64974
|
+
/**
|
|
64975
|
+
* names of the monitors for this calculation
|
|
64976
|
+
*/
|
|
64977
|
+
monitors: {
|
|
64978
|
+
/**
|
|
64979
|
+
* The name of this item. e.g. scf_accuracy
|
|
64980
|
+
*/
|
|
64981
|
+
name: string;
|
|
64982
|
+
[k: string]: unknown;
|
|
64983
|
+
}[];
|
|
64984
|
+
/**
|
|
64985
|
+
* names of the results for this calculation
|
|
64986
|
+
*/
|
|
64987
|
+
results: {
|
|
64988
|
+
/**
|
|
64989
|
+
* The name of this item. e.g. scf_accuracy
|
|
64990
|
+
*/
|
|
64991
|
+
name: string;
|
|
64992
|
+
[k: string]: unknown;
|
|
64993
|
+
}[];
|
|
64994
|
+
/**
|
|
64995
|
+
* entity tags
|
|
64996
|
+
*/
|
|
64997
|
+
tags?: string[];
|
|
64998
|
+
/**
|
|
64999
|
+
* Status of the unit.
|
|
65000
|
+
*/
|
|
65001
|
+
status?: "idle" | "active" | "warning" | "error" | "finished";
|
|
65002
|
+
statusTrack?: {
|
|
65003
|
+
trackedAt: number;
|
|
65004
|
+
status: string;
|
|
65005
|
+
repetition?: number;
|
|
65006
|
+
}[];
|
|
65007
|
+
isDraft?: boolean;
|
|
65008
|
+
/**
|
|
65009
|
+
* type of the unit
|
|
65010
|
+
*/
|
|
65011
|
+
type: "error";
|
|
65012
|
+
/**
|
|
65013
|
+
* Whether this unit is the first one to be executed.
|
|
65014
|
+
*/
|
|
65015
|
+
head?: boolean;
|
|
65016
|
+
/**
|
|
65017
|
+
* Identity of the unit in the workflow. Used to trace the execution flow of the workflow.
|
|
65018
|
+
*/
|
|
65019
|
+
flowchartId: string;
|
|
65020
|
+
/**
|
|
65021
|
+
* Next unit's flowchartId. If empty, the current unit is the last.
|
|
65022
|
+
*/
|
|
65023
|
+
next?: string;
|
|
65024
|
+
/**
|
|
65025
|
+
* Whether Rupy should attempt to use Jinja templating to add context variables into the unit
|
|
65026
|
+
*/
|
|
65027
|
+
enableRender?: boolean;
|
|
65028
|
+
/**
|
|
65029
|
+
* JSON string with validation/hydration details: { error, json, schema }
|
|
65030
|
+
*/
|
|
65031
|
+
reason: string;
|
|
64224
65032
|
})[];
|
|
64225
65033
|
model: {
|
|
64226
65034
|
type: "dft";
|
|
@@ -64754,6 +65562,106 @@ export interface BaseWorkflowSchema {
|
|
|
64754
65562
|
* Whether Rupy should attempt to use Jinja templating to add context variables into the unit
|
|
64755
65563
|
*/
|
|
64756
65564
|
enableRender?: boolean;
|
|
65565
|
+
} | {
|
|
65566
|
+
/**
|
|
65567
|
+
* entity identity
|
|
65568
|
+
*/
|
|
65569
|
+
_id?: string;
|
|
65570
|
+
/**
|
|
65571
|
+
* entity slug
|
|
65572
|
+
*/
|
|
65573
|
+
slug?: string;
|
|
65574
|
+
systemName?: string;
|
|
65575
|
+
/**
|
|
65576
|
+
* entity's schema version. Used to distinct between different schemas.
|
|
65577
|
+
*/
|
|
65578
|
+
schemaVersion?: string;
|
|
65579
|
+
/**
|
|
65580
|
+
* entity name
|
|
65581
|
+
*/
|
|
65582
|
+
name: string;
|
|
65583
|
+
/**
|
|
65584
|
+
* Identifies that entity is defaultable
|
|
65585
|
+
*/
|
|
65586
|
+
isDefault?: boolean;
|
|
65587
|
+
/**
|
|
65588
|
+
* names of the pre-processors for this calculation
|
|
65589
|
+
*/
|
|
65590
|
+
preProcessors: {
|
|
65591
|
+
/**
|
|
65592
|
+
* The name of this item. e.g. scf_accuracy
|
|
65593
|
+
*/
|
|
65594
|
+
name: string;
|
|
65595
|
+
[k: string]: unknown;
|
|
65596
|
+
}[];
|
|
65597
|
+
/**
|
|
65598
|
+
* names of the post-processors for this calculation
|
|
65599
|
+
*/
|
|
65600
|
+
postProcessors: {
|
|
65601
|
+
/**
|
|
65602
|
+
* The name of this item. e.g. scf_accuracy
|
|
65603
|
+
*/
|
|
65604
|
+
name: string;
|
|
65605
|
+
[k: string]: unknown;
|
|
65606
|
+
}[];
|
|
65607
|
+
/**
|
|
65608
|
+
* names of the monitors for this calculation
|
|
65609
|
+
*/
|
|
65610
|
+
monitors: {
|
|
65611
|
+
/**
|
|
65612
|
+
* The name of this item. e.g. scf_accuracy
|
|
65613
|
+
*/
|
|
65614
|
+
name: string;
|
|
65615
|
+
[k: string]: unknown;
|
|
65616
|
+
}[];
|
|
65617
|
+
/**
|
|
65618
|
+
* names of the results for this calculation
|
|
65619
|
+
*/
|
|
65620
|
+
results: {
|
|
65621
|
+
/**
|
|
65622
|
+
* The name of this item. e.g. scf_accuracy
|
|
65623
|
+
*/
|
|
65624
|
+
name: string;
|
|
65625
|
+
[k: string]: unknown;
|
|
65626
|
+
}[];
|
|
65627
|
+
/**
|
|
65628
|
+
* entity tags
|
|
65629
|
+
*/
|
|
65630
|
+
tags?: string[];
|
|
65631
|
+
/**
|
|
65632
|
+
* Status of the unit.
|
|
65633
|
+
*/
|
|
65634
|
+
status?: "idle" | "active" | "warning" | "error" | "finished";
|
|
65635
|
+
statusTrack?: {
|
|
65636
|
+
trackedAt: number;
|
|
65637
|
+
status: string;
|
|
65638
|
+
repetition?: number;
|
|
65639
|
+
}[];
|
|
65640
|
+
isDraft?: boolean;
|
|
65641
|
+
/**
|
|
65642
|
+
* type of the unit
|
|
65643
|
+
*/
|
|
65644
|
+
type: "error";
|
|
65645
|
+
/**
|
|
65646
|
+
* Whether this unit is the first one to be executed.
|
|
65647
|
+
*/
|
|
65648
|
+
head?: boolean;
|
|
65649
|
+
/**
|
|
65650
|
+
* Identity of the unit in the workflow. Used to trace the execution flow of the workflow.
|
|
65651
|
+
*/
|
|
65652
|
+
flowchartId: string;
|
|
65653
|
+
/**
|
|
65654
|
+
* Next unit's flowchartId. If empty, the current unit is the last.
|
|
65655
|
+
*/
|
|
65656
|
+
next?: string;
|
|
65657
|
+
/**
|
|
65658
|
+
* Whether Rupy should attempt to use Jinja templating to add context variables into the unit
|
|
65659
|
+
*/
|
|
65660
|
+
enableRender?: boolean;
|
|
65661
|
+
/**
|
|
65662
|
+
* JSON string with validation/hydration details: { error, json, schema }
|
|
65663
|
+
*/
|
|
65664
|
+
reason: string;
|
|
64757
65665
|
})[];
|
|
64758
65666
|
/**
|
|
64759
65667
|
* information about the main application used for workflow categorization by application in standata.
|
|
@@ -66456,6 +67364,106 @@ export interface SubworkflowMixinSchema {
|
|
|
66456
67364
|
* Value of the variable. The value content could be a simple integer, string or a python expression. e.g. '0' (initialization), 'sin(x)+1' (expression)
|
|
66457
67365
|
*/
|
|
66458
67366
|
value: string | boolean | number;
|
|
67367
|
+
} | {
|
|
67368
|
+
/**
|
|
67369
|
+
* entity identity
|
|
67370
|
+
*/
|
|
67371
|
+
_id?: string;
|
|
67372
|
+
/**
|
|
67373
|
+
* entity slug
|
|
67374
|
+
*/
|
|
67375
|
+
slug?: string;
|
|
67376
|
+
systemName?: string;
|
|
67377
|
+
/**
|
|
67378
|
+
* entity's schema version. Used to distinct between different schemas.
|
|
67379
|
+
*/
|
|
67380
|
+
schemaVersion?: string;
|
|
67381
|
+
/**
|
|
67382
|
+
* entity name
|
|
67383
|
+
*/
|
|
67384
|
+
name: string;
|
|
67385
|
+
/**
|
|
67386
|
+
* Identifies that entity is defaultable
|
|
67387
|
+
*/
|
|
67388
|
+
isDefault?: boolean;
|
|
67389
|
+
/**
|
|
67390
|
+
* names of the pre-processors for this calculation
|
|
67391
|
+
*/
|
|
67392
|
+
preProcessors: {
|
|
67393
|
+
/**
|
|
67394
|
+
* The name of this item. e.g. scf_accuracy
|
|
67395
|
+
*/
|
|
67396
|
+
name: string;
|
|
67397
|
+
[k: string]: unknown;
|
|
67398
|
+
}[];
|
|
67399
|
+
/**
|
|
67400
|
+
* names of the post-processors for this calculation
|
|
67401
|
+
*/
|
|
67402
|
+
postProcessors: {
|
|
67403
|
+
/**
|
|
67404
|
+
* The name of this item. e.g. scf_accuracy
|
|
67405
|
+
*/
|
|
67406
|
+
name: string;
|
|
67407
|
+
[k: string]: unknown;
|
|
67408
|
+
}[];
|
|
67409
|
+
/**
|
|
67410
|
+
* names of the monitors for this calculation
|
|
67411
|
+
*/
|
|
67412
|
+
monitors: {
|
|
67413
|
+
/**
|
|
67414
|
+
* The name of this item. e.g. scf_accuracy
|
|
67415
|
+
*/
|
|
67416
|
+
name: string;
|
|
67417
|
+
[k: string]: unknown;
|
|
67418
|
+
}[];
|
|
67419
|
+
/**
|
|
67420
|
+
* names of the results for this calculation
|
|
67421
|
+
*/
|
|
67422
|
+
results: {
|
|
67423
|
+
/**
|
|
67424
|
+
* The name of this item. e.g. scf_accuracy
|
|
67425
|
+
*/
|
|
67426
|
+
name: string;
|
|
67427
|
+
[k: string]: unknown;
|
|
67428
|
+
}[];
|
|
67429
|
+
/**
|
|
67430
|
+
* entity tags
|
|
67431
|
+
*/
|
|
67432
|
+
tags?: string[];
|
|
67433
|
+
/**
|
|
67434
|
+
* Status of the unit.
|
|
67435
|
+
*/
|
|
67436
|
+
status?: "idle" | "active" | "warning" | "error" | "finished";
|
|
67437
|
+
statusTrack?: {
|
|
67438
|
+
trackedAt: number;
|
|
67439
|
+
status: string;
|
|
67440
|
+
repetition?: number;
|
|
67441
|
+
}[];
|
|
67442
|
+
isDraft?: boolean;
|
|
67443
|
+
/**
|
|
67444
|
+
* type of the unit
|
|
67445
|
+
*/
|
|
67446
|
+
type: "error";
|
|
67447
|
+
/**
|
|
67448
|
+
* Whether this unit is the first one to be executed.
|
|
67449
|
+
*/
|
|
67450
|
+
head?: boolean;
|
|
67451
|
+
/**
|
|
67452
|
+
* Identity of the unit in the workflow. Used to trace the execution flow of the workflow.
|
|
67453
|
+
*/
|
|
67454
|
+
flowchartId: string;
|
|
67455
|
+
/**
|
|
67456
|
+
* Next unit's flowchartId. If empty, the current unit is the last.
|
|
67457
|
+
*/
|
|
67458
|
+
next?: string;
|
|
67459
|
+
/**
|
|
67460
|
+
* Whether Rupy should attempt to use Jinja templating to add context variables into the unit
|
|
67461
|
+
*/
|
|
67462
|
+
enableRender?: boolean;
|
|
67463
|
+
/**
|
|
67464
|
+
* JSON string with validation/hydration details: { error, json, schema }
|
|
67465
|
+
*/
|
|
67466
|
+
reason: string;
|
|
66459
67467
|
})[];
|
|
66460
67468
|
model: {
|
|
66461
67469
|
type: "dft";
|
|
@@ -68089,6 +69097,106 @@ export type WorkflowSubworkflowUnitSchema = {
|
|
|
68089
69097
|
* Value of the variable. The value content could be a simple integer, string or a python expression. e.g. '0' (initialization), 'sin(x)+1' (expression)
|
|
68090
69098
|
*/
|
|
68091
69099
|
value: string | boolean | number;
|
|
69100
|
+
} | {
|
|
69101
|
+
/**
|
|
69102
|
+
* entity identity
|
|
69103
|
+
*/
|
|
69104
|
+
_id?: string;
|
|
69105
|
+
/**
|
|
69106
|
+
* entity slug
|
|
69107
|
+
*/
|
|
69108
|
+
slug?: string;
|
|
69109
|
+
systemName?: string;
|
|
69110
|
+
/**
|
|
69111
|
+
* entity's schema version. Used to distinct between different schemas.
|
|
69112
|
+
*/
|
|
69113
|
+
schemaVersion?: string;
|
|
69114
|
+
/**
|
|
69115
|
+
* entity name
|
|
69116
|
+
*/
|
|
69117
|
+
name: string;
|
|
69118
|
+
/**
|
|
69119
|
+
* Identifies that entity is defaultable
|
|
69120
|
+
*/
|
|
69121
|
+
isDefault?: boolean;
|
|
69122
|
+
/**
|
|
69123
|
+
* names of the pre-processors for this calculation
|
|
69124
|
+
*/
|
|
69125
|
+
preProcessors: {
|
|
69126
|
+
/**
|
|
69127
|
+
* The name of this item. e.g. scf_accuracy
|
|
69128
|
+
*/
|
|
69129
|
+
name: string;
|
|
69130
|
+
[k: string]: unknown;
|
|
69131
|
+
}[];
|
|
69132
|
+
/**
|
|
69133
|
+
* names of the post-processors for this calculation
|
|
69134
|
+
*/
|
|
69135
|
+
postProcessors: {
|
|
69136
|
+
/**
|
|
69137
|
+
* The name of this item. e.g. scf_accuracy
|
|
69138
|
+
*/
|
|
69139
|
+
name: string;
|
|
69140
|
+
[k: string]: unknown;
|
|
69141
|
+
}[];
|
|
69142
|
+
/**
|
|
69143
|
+
* names of the monitors for this calculation
|
|
69144
|
+
*/
|
|
69145
|
+
monitors: {
|
|
69146
|
+
/**
|
|
69147
|
+
* The name of this item. e.g. scf_accuracy
|
|
69148
|
+
*/
|
|
69149
|
+
name: string;
|
|
69150
|
+
[k: string]: unknown;
|
|
69151
|
+
}[];
|
|
69152
|
+
/**
|
|
69153
|
+
* names of the results for this calculation
|
|
69154
|
+
*/
|
|
69155
|
+
results: {
|
|
69156
|
+
/**
|
|
69157
|
+
* The name of this item. e.g. scf_accuracy
|
|
69158
|
+
*/
|
|
69159
|
+
name: string;
|
|
69160
|
+
[k: string]: unknown;
|
|
69161
|
+
}[];
|
|
69162
|
+
/**
|
|
69163
|
+
* entity tags
|
|
69164
|
+
*/
|
|
69165
|
+
tags?: string[];
|
|
69166
|
+
/**
|
|
69167
|
+
* Status of the unit.
|
|
69168
|
+
*/
|
|
69169
|
+
status?: "idle" | "active" | "warning" | "error" | "finished";
|
|
69170
|
+
statusTrack?: {
|
|
69171
|
+
trackedAt: number;
|
|
69172
|
+
status: string;
|
|
69173
|
+
repetition?: number;
|
|
69174
|
+
}[];
|
|
69175
|
+
isDraft?: boolean;
|
|
69176
|
+
/**
|
|
69177
|
+
* type of the unit
|
|
69178
|
+
*/
|
|
69179
|
+
type: "error";
|
|
69180
|
+
/**
|
|
69181
|
+
* Whether this unit is the first one to be executed.
|
|
69182
|
+
*/
|
|
69183
|
+
head?: boolean;
|
|
69184
|
+
/**
|
|
69185
|
+
* Identity of the unit in the workflow. Used to trace the execution flow of the workflow.
|
|
69186
|
+
*/
|
|
69187
|
+
flowchartId: string;
|
|
69188
|
+
/**
|
|
69189
|
+
* Next unit's flowchartId. If empty, the current unit is the last.
|
|
69190
|
+
*/
|
|
69191
|
+
next?: string;
|
|
69192
|
+
/**
|
|
69193
|
+
* Whether Rupy should attempt to use Jinja templating to add context variables into the unit
|
|
69194
|
+
*/
|
|
69195
|
+
enableRender?: boolean;
|
|
69196
|
+
/**
|
|
69197
|
+
* JSON string with validation/hydration details: { error, json, schema }
|
|
69198
|
+
*/
|
|
69199
|
+
reason: string;
|
|
68092
69200
|
};
|
|
68093
69201
|
/** Schema dist/js/schema/workflow/subworkflow.json */
|
|
68094
69202
|
export interface SubworkflowSchema {
|
|
@@ -69653,6 +70761,106 @@ export interface SubworkflowSchema {
|
|
|
69653
70761
|
* Value of the variable. The value content could be a simple integer, string or a python expression. e.g. '0' (initialization), 'sin(x)+1' (expression)
|
|
69654
70762
|
*/
|
|
69655
70763
|
value: string | boolean | number;
|
|
70764
|
+
} | {
|
|
70765
|
+
/**
|
|
70766
|
+
* entity identity
|
|
70767
|
+
*/
|
|
70768
|
+
_id?: string;
|
|
70769
|
+
/**
|
|
70770
|
+
* entity slug
|
|
70771
|
+
*/
|
|
70772
|
+
slug?: string;
|
|
70773
|
+
systemName?: string;
|
|
70774
|
+
/**
|
|
70775
|
+
* entity's schema version. Used to distinct between different schemas.
|
|
70776
|
+
*/
|
|
70777
|
+
schemaVersion?: string;
|
|
70778
|
+
/**
|
|
70779
|
+
* entity name
|
|
70780
|
+
*/
|
|
70781
|
+
name: string;
|
|
70782
|
+
/**
|
|
70783
|
+
* Identifies that entity is defaultable
|
|
70784
|
+
*/
|
|
70785
|
+
isDefault?: boolean;
|
|
70786
|
+
/**
|
|
70787
|
+
* names of the pre-processors for this calculation
|
|
70788
|
+
*/
|
|
70789
|
+
preProcessors: {
|
|
70790
|
+
/**
|
|
70791
|
+
* The name of this item. e.g. scf_accuracy
|
|
70792
|
+
*/
|
|
70793
|
+
name: string;
|
|
70794
|
+
[k: string]: unknown;
|
|
70795
|
+
}[];
|
|
70796
|
+
/**
|
|
70797
|
+
* names of the post-processors for this calculation
|
|
70798
|
+
*/
|
|
70799
|
+
postProcessors: {
|
|
70800
|
+
/**
|
|
70801
|
+
* The name of this item. e.g. scf_accuracy
|
|
70802
|
+
*/
|
|
70803
|
+
name: string;
|
|
70804
|
+
[k: string]: unknown;
|
|
70805
|
+
}[];
|
|
70806
|
+
/**
|
|
70807
|
+
* names of the monitors for this calculation
|
|
70808
|
+
*/
|
|
70809
|
+
monitors: {
|
|
70810
|
+
/**
|
|
70811
|
+
* The name of this item. e.g. scf_accuracy
|
|
70812
|
+
*/
|
|
70813
|
+
name: string;
|
|
70814
|
+
[k: string]: unknown;
|
|
70815
|
+
}[];
|
|
70816
|
+
/**
|
|
70817
|
+
* names of the results for this calculation
|
|
70818
|
+
*/
|
|
70819
|
+
results: {
|
|
70820
|
+
/**
|
|
70821
|
+
* The name of this item. e.g. scf_accuracy
|
|
70822
|
+
*/
|
|
70823
|
+
name: string;
|
|
70824
|
+
[k: string]: unknown;
|
|
70825
|
+
}[];
|
|
70826
|
+
/**
|
|
70827
|
+
* entity tags
|
|
70828
|
+
*/
|
|
70829
|
+
tags?: string[];
|
|
70830
|
+
/**
|
|
70831
|
+
* Status of the unit.
|
|
70832
|
+
*/
|
|
70833
|
+
status?: "idle" | "active" | "warning" | "error" | "finished";
|
|
70834
|
+
statusTrack?: {
|
|
70835
|
+
trackedAt: number;
|
|
70836
|
+
status: string;
|
|
70837
|
+
repetition?: number;
|
|
70838
|
+
}[];
|
|
70839
|
+
isDraft?: boolean;
|
|
70840
|
+
/**
|
|
70841
|
+
* type of the unit
|
|
70842
|
+
*/
|
|
70843
|
+
type: "error";
|
|
70844
|
+
/**
|
|
70845
|
+
* Whether this unit is the first one to be executed.
|
|
70846
|
+
*/
|
|
70847
|
+
head?: boolean;
|
|
70848
|
+
/**
|
|
70849
|
+
* Identity of the unit in the workflow. Used to trace the execution flow of the workflow.
|
|
70850
|
+
*/
|
|
70851
|
+
flowchartId: string;
|
|
70852
|
+
/**
|
|
70853
|
+
* Next unit's flowchartId. If empty, the current unit is the last.
|
|
70854
|
+
*/
|
|
70855
|
+
next?: string;
|
|
70856
|
+
/**
|
|
70857
|
+
* Whether Rupy should attempt to use Jinja templating to add context variables into the unit
|
|
70858
|
+
*/
|
|
70859
|
+
enableRender?: boolean;
|
|
70860
|
+
/**
|
|
70861
|
+
* JSON string with validation/hydration details: { error, json, schema }
|
|
70862
|
+
*/
|
|
70863
|
+
reason: string;
|
|
69656
70864
|
})[];
|
|
69657
70865
|
model: {
|
|
69658
70866
|
type: "dft";
|
|
@@ -71563,6 +72771,108 @@ export type ContextItemSchema = {
|
|
|
71563
72771
|
};
|
|
71564
72772
|
isEdited: boolean;
|
|
71565
72773
|
};
|
|
72774
|
+
/** Schema dist/js/schema/workflow/unit/error.json */
|
|
72775
|
+
export interface ErrorUnitSchema {
|
|
72776
|
+
/**
|
|
72777
|
+
* entity identity
|
|
72778
|
+
*/
|
|
72779
|
+
_id?: string;
|
|
72780
|
+
/**
|
|
72781
|
+
* entity slug
|
|
72782
|
+
*/
|
|
72783
|
+
slug?: string;
|
|
72784
|
+
systemName?: string;
|
|
72785
|
+
/**
|
|
72786
|
+
* entity's schema version. Used to distinct between different schemas.
|
|
72787
|
+
*/
|
|
72788
|
+
schemaVersion?: string;
|
|
72789
|
+
/**
|
|
72790
|
+
* entity name
|
|
72791
|
+
*/
|
|
72792
|
+
name: string;
|
|
72793
|
+
/**
|
|
72794
|
+
* Identifies that entity is defaultable
|
|
72795
|
+
*/
|
|
72796
|
+
isDefault?: boolean;
|
|
72797
|
+
/**
|
|
72798
|
+
* names of the pre-processors for this calculation
|
|
72799
|
+
*/
|
|
72800
|
+
preProcessors: {
|
|
72801
|
+
/**
|
|
72802
|
+
* The name of this item. e.g. scf_accuracy
|
|
72803
|
+
*/
|
|
72804
|
+
name: string;
|
|
72805
|
+
[k: string]: unknown;
|
|
72806
|
+
}[];
|
|
72807
|
+
/**
|
|
72808
|
+
* names of the post-processors for this calculation
|
|
72809
|
+
*/
|
|
72810
|
+
postProcessors: {
|
|
72811
|
+
/**
|
|
72812
|
+
* The name of this item. e.g. scf_accuracy
|
|
72813
|
+
*/
|
|
72814
|
+
name: string;
|
|
72815
|
+
[k: string]: unknown;
|
|
72816
|
+
}[];
|
|
72817
|
+
/**
|
|
72818
|
+
* names of the monitors for this calculation
|
|
72819
|
+
*/
|
|
72820
|
+
monitors: {
|
|
72821
|
+
/**
|
|
72822
|
+
* The name of this item. e.g. scf_accuracy
|
|
72823
|
+
*/
|
|
72824
|
+
name: string;
|
|
72825
|
+
[k: string]: unknown;
|
|
72826
|
+
}[];
|
|
72827
|
+
/**
|
|
72828
|
+
* names of the results for this calculation
|
|
72829
|
+
*/
|
|
72830
|
+
results: {
|
|
72831
|
+
/**
|
|
72832
|
+
* The name of this item. e.g. scf_accuracy
|
|
72833
|
+
*/
|
|
72834
|
+
name: string;
|
|
72835
|
+
[k: string]: unknown;
|
|
72836
|
+
}[];
|
|
72837
|
+
/**
|
|
72838
|
+
* entity tags
|
|
72839
|
+
*/
|
|
72840
|
+
tags?: string[];
|
|
72841
|
+
/**
|
|
72842
|
+
* Status of the unit.
|
|
72843
|
+
*/
|
|
72844
|
+
status?: "idle" | "active" | "warning" | "error" | "finished";
|
|
72845
|
+
statusTrack?: {
|
|
72846
|
+
trackedAt: number;
|
|
72847
|
+
status: string;
|
|
72848
|
+
repetition?: number;
|
|
72849
|
+
}[];
|
|
72850
|
+
isDraft?: boolean;
|
|
72851
|
+
/**
|
|
72852
|
+
* type of the unit
|
|
72853
|
+
*/
|
|
72854
|
+
type: "error";
|
|
72855
|
+
/**
|
|
72856
|
+
* Whether this unit is the first one to be executed.
|
|
72857
|
+
*/
|
|
72858
|
+
head?: boolean;
|
|
72859
|
+
/**
|
|
72860
|
+
* Identity of the unit in the workflow. Used to trace the execution flow of the workflow.
|
|
72861
|
+
*/
|
|
72862
|
+
flowchartId: string;
|
|
72863
|
+
/**
|
|
72864
|
+
* Next unit's flowchartId. If empty, the current unit is the last.
|
|
72865
|
+
*/
|
|
72866
|
+
next?: string;
|
|
72867
|
+
/**
|
|
72868
|
+
* Whether Rupy should attempt to use Jinja templating to add context variables into the unit
|
|
72869
|
+
*/
|
|
72870
|
+
enableRender?: boolean;
|
|
72871
|
+
/**
|
|
72872
|
+
* JSON string with validation/hydration details: { error, json, schema }
|
|
72873
|
+
*/
|
|
72874
|
+
reason: string;
|
|
72875
|
+
}
|
|
71566
72876
|
/** Schema dist/js/schema/workflow/unit/execution.json */
|
|
71567
72877
|
export interface ExecutionUnitSchema {
|
|
71568
72878
|
/**
|
|
@@ -73076,6 +74386,14 @@ export interface ConditionUnitMixinSchema {
|
|
|
73076
74386
|
*/
|
|
73077
74387
|
throwException?: boolean;
|
|
73078
74388
|
}
|
|
74389
|
+
/** Schema dist/js/schema/workflow/unit/mixins/error.json */
|
|
74390
|
+
export interface ErrorUnitMixinSchema {
|
|
74391
|
+
type?: "error";
|
|
74392
|
+
/**
|
|
74393
|
+
* JSON string with validation/hydration details: { error, json, schema }
|
|
74394
|
+
*/
|
|
74395
|
+
reason: string;
|
|
74396
|
+
}
|
|
73079
74397
|
/** Schema dist/js/schema/workflow/unit/mixins/execution.json */
|
|
73080
74398
|
export interface ExecutionUnitMixinSchema {
|
|
73081
74399
|
type: "execution";
|
|
@@ -74313,7 +75631,105 @@ export interface SubworkflowUnitSchema {
|
|
|
74313
75631
|
/**
|
|
74314
75632
|
* type of the unit
|
|
74315
75633
|
*/
|
|
74316
|
-
type: "subworkflow";
|
|
75634
|
+
type: "subworkflow";
|
|
75635
|
+
/**
|
|
75636
|
+
* Whether this unit is the first one to be executed.
|
|
75637
|
+
*/
|
|
75638
|
+
head?: boolean;
|
|
75639
|
+
/**
|
|
75640
|
+
* Identity of the unit in the workflow. Used to trace the execution flow of the workflow.
|
|
75641
|
+
*/
|
|
75642
|
+
flowchartId: string;
|
|
75643
|
+
/**
|
|
75644
|
+
* Next unit's flowchartId. If empty, the current unit is the last.
|
|
75645
|
+
*/
|
|
75646
|
+
next?: string;
|
|
75647
|
+
/**
|
|
75648
|
+
* Whether Rupy should attempt to use Jinja templating to add context variables into the unit
|
|
75649
|
+
*/
|
|
75650
|
+
enableRender?: boolean;
|
|
75651
|
+
}
|
|
75652
|
+
/** Schema dist/js/schema/workflow/unit.json */
|
|
75653
|
+
export type WorkflowUnitSchema = {
|
|
75654
|
+
/**
|
|
75655
|
+
* entity identity
|
|
75656
|
+
*/
|
|
75657
|
+
_id?: string;
|
|
75658
|
+
/**
|
|
75659
|
+
* entity slug
|
|
75660
|
+
*/
|
|
75661
|
+
slug?: string;
|
|
75662
|
+
systemName?: string;
|
|
75663
|
+
/**
|
|
75664
|
+
* entity's schema version. Used to distinct between different schemas.
|
|
75665
|
+
*/
|
|
75666
|
+
schemaVersion?: string;
|
|
75667
|
+
/**
|
|
75668
|
+
* entity name
|
|
75669
|
+
*/
|
|
75670
|
+
name: string;
|
|
75671
|
+
/**
|
|
75672
|
+
* Identifies that entity is defaultable
|
|
75673
|
+
*/
|
|
75674
|
+
isDefault?: boolean;
|
|
75675
|
+
/**
|
|
75676
|
+
* names of the pre-processors for this calculation
|
|
75677
|
+
*/
|
|
75678
|
+
preProcessors: {
|
|
75679
|
+
/**
|
|
75680
|
+
* The name of this item. e.g. scf_accuracy
|
|
75681
|
+
*/
|
|
75682
|
+
name: string;
|
|
75683
|
+
[k: string]: unknown;
|
|
75684
|
+
}[];
|
|
75685
|
+
/**
|
|
75686
|
+
* names of the post-processors for this calculation
|
|
75687
|
+
*/
|
|
75688
|
+
postProcessors: {
|
|
75689
|
+
/**
|
|
75690
|
+
* The name of this item. e.g. scf_accuracy
|
|
75691
|
+
*/
|
|
75692
|
+
name: string;
|
|
75693
|
+
[k: string]: unknown;
|
|
75694
|
+
}[];
|
|
75695
|
+
/**
|
|
75696
|
+
* names of the monitors for this calculation
|
|
75697
|
+
*/
|
|
75698
|
+
monitors: {
|
|
75699
|
+
/**
|
|
75700
|
+
* The name of this item. e.g. scf_accuracy
|
|
75701
|
+
*/
|
|
75702
|
+
name: string;
|
|
75703
|
+
[k: string]: unknown;
|
|
75704
|
+
}[];
|
|
75705
|
+
/**
|
|
75706
|
+
* names of the results for this calculation
|
|
75707
|
+
*/
|
|
75708
|
+
results: {
|
|
75709
|
+
/**
|
|
75710
|
+
* The name of this item. e.g. scf_accuracy
|
|
75711
|
+
*/
|
|
75712
|
+
name: string;
|
|
75713
|
+
[k: string]: unknown;
|
|
75714
|
+
}[];
|
|
75715
|
+
/**
|
|
75716
|
+
* entity tags
|
|
75717
|
+
*/
|
|
75718
|
+
tags?: string[];
|
|
75719
|
+
/**
|
|
75720
|
+
* Status of the unit.
|
|
75721
|
+
*/
|
|
75722
|
+
status?: "idle" | "active" | "warning" | "error" | "finished";
|
|
75723
|
+
statusTrack?: {
|
|
75724
|
+
trackedAt: number;
|
|
75725
|
+
status: string;
|
|
75726
|
+
repetition?: number;
|
|
75727
|
+
}[];
|
|
75728
|
+
isDraft?: boolean;
|
|
75729
|
+
/**
|
|
75730
|
+
* type of the unit
|
|
75731
|
+
*/
|
|
75732
|
+
type: "map";
|
|
74317
75733
|
/**
|
|
74318
75734
|
* Whether this unit is the first one to be executed.
|
|
74319
75735
|
*/
|
|
@@ -74330,9 +75746,33 @@ export interface SubworkflowUnitSchema {
|
|
|
74330
75746
|
* Whether Rupy should attempt to use Jinja templating to add context variables into the unit
|
|
74331
75747
|
*/
|
|
74332
75748
|
enableRender?: boolean;
|
|
74333
|
-
|
|
74334
|
-
|
|
74335
|
-
|
|
75749
|
+
/**
|
|
75750
|
+
* Id of workflow to run inside map
|
|
75751
|
+
*/
|
|
75752
|
+
workflowId: string;
|
|
75753
|
+
/**
|
|
75754
|
+
* Input information for map.
|
|
75755
|
+
*/
|
|
75756
|
+
input: {
|
|
75757
|
+
/**
|
|
75758
|
+
* Name of the target variable to substitute using the values below. e.g. K_POINTS
|
|
75759
|
+
*/
|
|
75760
|
+
target: string;
|
|
75761
|
+
/**
|
|
75762
|
+
* Scope to retrieve `values` from, global or flowchartId. Optional if `values` is given.
|
|
75763
|
+
*/
|
|
75764
|
+
scope?: string;
|
|
75765
|
+
/**
|
|
75766
|
+
* Name of the variable inside the scope to retrieve `values` from. Optional if `values` is given.
|
|
75767
|
+
*/
|
|
75768
|
+
name?: string;
|
|
75769
|
+
/**
|
|
75770
|
+
* Sequence of values for the target Jinja variable. Optional if `scope` and `name` are given. This can be used for map-reduce type parallel execution
|
|
75771
|
+
*/
|
|
75772
|
+
values?: (string | number | {})[];
|
|
75773
|
+
useValues?: boolean;
|
|
75774
|
+
};
|
|
75775
|
+
} | {
|
|
74336
75776
|
/**
|
|
74337
75777
|
* entity identity
|
|
74338
75778
|
*/
|
|
@@ -74411,7 +75851,7 @@ export type WorkflowUnitSchema = {
|
|
|
74411
75851
|
/**
|
|
74412
75852
|
* type of the unit
|
|
74413
75853
|
*/
|
|
74414
|
-
type: "
|
|
75854
|
+
type: "reduce";
|
|
74415
75855
|
/**
|
|
74416
75856
|
* Whether this unit is the first one to be executed.
|
|
74417
75857
|
*/
|
|
@@ -74429,31 +75869,22 @@ export type WorkflowUnitSchema = {
|
|
|
74429
75869
|
*/
|
|
74430
75870
|
enableRender?: boolean;
|
|
74431
75871
|
/**
|
|
74432
|
-
*
|
|
75872
|
+
* corresponding map unit flowchart ID
|
|
74433
75873
|
*/
|
|
74434
|
-
|
|
75874
|
+
mapFlowchartId: string;
|
|
74435
75875
|
/**
|
|
74436
|
-
*
|
|
75876
|
+
* input information for reduce unit
|
|
74437
75877
|
*/
|
|
74438
75878
|
input: {
|
|
74439
75879
|
/**
|
|
74440
|
-
*
|
|
74441
|
-
*/
|
|
74442
|
-
target: string;
|
|
74443
|
-
/**
|
|
74444
|
-
* Scope to retrieve `values` from, global or flowchartId. Optional if `values` is given.
|
|
74445
|
-
*/
|
|
74446
|
-
scope?: string;
|
|
74447
|
-
/**
|
|
74448
|
-
* Name of the variable inside the scope to retrieve `values` from. Optional if `values` is given.
|
|
75880
|
+
* reduce operation, e.g. aggregate
|
|
74449
75881
|
*/
|
|
74450
|
-
|
|
75882
|
+
operation: string;
|
|
74451
75883
|
/**
|
|
74452
|
-
*
|
|
75884
|
+
* arguments which are passed to reduce operation function
|
|
74453
75885
|
*/
|
|
74454
|
-
|
|
74455
|
-
|
|
74456
|
-
};
|
|
75886
|
+
arguments: string[];
|
|
75887
|
+
}[];
|
|
74457
75888
|
} | {
|
|
74458
75889
|
/**
|
|
74459
75890
|
* entity identity
|
|
@@ -74533,7 +75964,7 @@ export type WorkflowUnitSchema = {
|
|
|
74533
75964
|
/**
|
|
74534
75965
|
* type of the unit
|
|
74535
75966
|
*/
|
|
74536
|
-
type: "
|
|
75967
|
+
type: "subworkflow";
|
|
74537
75968
|
/**
|
|
74538
75969
|
* Whether this unit is the first one to be executed.
|
|
74539
75970
|
*/
|
|
@@ -74550,23 +75981,6 @@ export type WorkflowUnitSchema = {
|
|
|
74550
75981
|
* Whether Rupy should attempt to use Jinja templating to add context variables into the unit
|
|
74551
75982
|
*/
|
|
74552
75983
|
enableRender?: boolean;
|
|
74553
|
-
/**
|
|
74554
|
-
* corresponding map unit flowchart ID
|
|
74555
|
-
*/
|
|
74556
|
-
mapFlowchartId: string;
|
|
74557
|
-
/**
|
|
74558
|
-
* input information for reduce unit
|
|
74559
|
-
*/
|
|
74560
|
-
input: {
|
|
74561
|
-
/**
|
|
74562
|
-
* reduce operation, e.g. aggregate
|
|
74563
|
-
*/
|
|
74564
|
-
operation: string;
|
|
74565
|
-
/**
|
|
74566
|
-
* arguments which are passed to reduce operation function
|
|
74567
|
-
*/
|
|
74568
|
-
arguments: string[];
|
|
74569
|
-
}[];
|
|
74570
75984
|
} | {
|
|
74571
75985
|
/**
|
|
74572
75986
|
* entity identity
|
|
@@ -74646,7 +76060,7 @@ export type WorkflowUnitSchema = {
|
|
|
74646
76060
|
/**
|
|
74647
76061
|
* type of the unit
|
|
74648
76062
|
*/
|
|
74649
|
-
type: "
|
|
76063
|
+
type: "error";
|
|
74650
76064
|
/**
|
|
74651
76065
|
* Whether this unit is the first one to be executed.
|
|
74652
76066
|
*/
|
|
@@ -74663,6 +76077,10 @@ export type WorkflowUnitSchema = {
|
|
|
74663
76077
|
* Whether Rupy should attempt to use Jinja templating to add context variables into the unit
|
|
74664
76078
|
*/
|
|
74665
76079
|
enableRender?: boolean;
|
|
76080
|
+
/**
|
|
76081
|
+
* JSON string with validation/hydration details: { error, json, schema }
|
|
76082
|
+
*/
|
|
76083
|
+
reason: string;
|
|
74666
76084
|
};
|
|
74667
76085
|
/** Schema dist/js/schema/workflow.json */
|
|
74668
76086
|
export interface WorkflowSchema {
|
|
@@ -76369,6 +77787,106 @@ export interface WorkflowSchema {
|
|
|
76369
77787
|
* Value of the variable. The value content could be a simple integer, string or a python expression. e.g. '0' (initialization), 'sin(x)+1' (expression)
|
|
76370
77788
|
*/
|
|
76371
77789
|
value: string | boolean | number;
|
|
77790
|
+
} | {
|
|
77791
|
+
/**
|
|
77792
|
+
* entity identity
|
|
77793
|
+
*/
|
|
77794
|
+
_id?: string;
|
|
77795
|
+
/**
|
|
77796
|
+
* entity slug
|
|
77797
|
+
*/
|
|
77798
|
+
slug?: string;
|
|
77799
|
+
systemName?: string;
|
|
77800
|
+
/**
|
|
77801
|
+
* entity's schema version. Used to distinct between different schemas.
|
|
77802
|
+
*/
|
|
77803
|
+
schemaVersion?: string;
|
|
77804
|
+
/**
|
|
77805
|
+
* entity name
|
|
77806
|
+
*/
|
|
77807
|
+
name: string;
|
|
77808
|
+
/**
|
|
77809
|
+
* Identifies that entity is defaultable
|
|
77810
|
+
*/
|
|
77811
|
+
isDefault?: boolean;
|
|
77812
|
+
/**
|
|
77813
|
+
* names of the pre-processors for this calculation
|
|
77814
|
+
*/
|
|
77815
|
+
preProcessors: {
|
|
77816
|
+
/**
|
|
77817
|
+
* The name of this item. e.g. scf_accuracy
|
|
77818
|
+
*/
|
|
77819
|
+
name: string;
|
|
77820
|
+
[k: string]: unknown;
|
|
77821
|
+
}[];
|
|
77822
|
+
/**
|
|
77823
|
+
* names of the post-processors for this calculation
|
|
77824
|
+
*/
|
|
77825
|
+
postProcessors: {
|
|
77826
|
+
/**
|
|
77827
|
+
* The name of this item. e.g. scf_accuracy
|
|
77828
|
+
*/
|
|
77829
|
+
name: string;
|
|
77830
|
+
[k: string]: unknown;
|
|
77831
|
+
}[];
|
|
77832
|
+
/**
|
|
77833
|
+
* names of the monitors for this calculation
|
|
77834
|
+
*/
|
|
77835
|
+
monitors: {
|
|
77836
|
+
/**
|
|
77837
|
+
* The name of this item. e.g. scf_accuracy
|
|
77838
|
+
*/
|
|
77839
|
+
name: string;
|
|
77840
|
+
[k: string]: unknown;
|
|
77841
|
+
}[];
|
|
77842
|
+
/**
|
|
77843
|
+
* names of the results for this calculation
|
|
77844
|
+
*/
|
|
77845
|
+
results: {
|
|
77846
|
+
/**
|
|
77847
|
+
* The name of this item. e.g. scf_accuracy
|
|
77848
|
+
*/
|
|
77849
|
+
name: string;
|
|
77850
|
+
[k: string]: unknown;
|
|
77851
|
+
}[];
|
|
77852
|
+
/**
|
|
77853
|
+
* entity tags
|
|
77854
|
+
*/
|
|
77855
|
+
tags?: string[];
|
|
77856
|
+
/**
|
|
77857
|
+
* Status of the unit.
|
|
77858
|
+
*/
|
|
77859
|
+
status?: "idle" | "active" | "warning" | "error" | "finished";
|
|
77860
|
+
statusTrack?: {
|
|
77861
|
+
trackedAt: number;
|
|
77862
|
+
status: string;
|
|
77863
|
+
repetition?: number;
|
|
77864
|
+
}[];
|
|
77865
|
+
isDraft?: boolean;
|
|
77866
|
+
/**
|
|
77867
|
+
* type of the unit
|
|
77868
|
+
*/
|
|
77869
|
+
type: "error";
|
|
77870
|
+
/**
|
|
77871
|
+
* Whether this unit is the first one to be executed.
|
|
77872
|
+
*/
|
|
77873
|
+
head?: boolean;
|
|
77874
|
+
/**
|
|
77875
|
+
* Identity of the unit in the workflow. Used to trace the execution flow of the workflow.
|
|
77876
|
+
*/
|
|
77877
|
+
flowchartId: string;
|
|
77878
|
+
/**
|
|
77879
|
+
* Next unit's flowchartId. If empty, the current unit is the last.
|
|
77880
|
+
*/
|
|
77881
|
+
next?: string;
|
|
77882
|
+
/**
|
|
77883
|
+
* Whether Rupy should attempt to use Jinja templating to add context variables into the unit
|
|
77884
|
+
*/
|
|
77885
|
+
enableRender?: boolean;
|
|
77886
|
+
/**
|
|
77887
|
+
* JSON string with validation/hydration details: { error, json, schema }
|
|
77888
|
+
*/
|
|
77889
|
+
reason: string;
|
|
76372
77890
|
})[];
|
|
76373
77891
|
model: {
|
|
76374
77892
|
type: "dft";
|
|
@@ -76902,6 +78420,106 @@ export interface WorkflowSchema {
|
|
|
76902
78420
|
* Whether Rupy should attempt to use Jinja templating to add context variables into the unit
|
|
76903
78421
|
*/
|
|
76904
78422
|
enableRender?: boolean;
|
|
78423
|
+
} | {
|
|
78424
|
+
/**
|
|
78425
|
+
* entity identity
|
|
78426
|
+
*/
|
|
78427
|
+
_id?: string;
|
|
78428
|
+
/**
|
|
78429
|
+
* entity slug
|
|
78430
|
+
*/
|
|
78431
|
+
slug?: string;
|
|
78432
|
+
systemName?: string;
|
|
78433
|
+
/**
|
|
78434
|
+
* entity's schema version. Used to distinct between different schemas.
|
|
78435
|
+
*/
|
|
78436
|
+
schemaVersion?: string;
|
|
78437
|
+
/**
|
|
78438
|
+
* entity name
|
|
78439
|
+
*/
|
|
78440
|
+
name: string;
|
|
78441
|
+
/**
|
|
78442
|
+
* Identifies that entity is defaultable
|
|
78443
|
+
*/
|
|
78444
|
+
isDefault?: boolean;
|
|
78445
|
+
/**
|
|
78446
|
+
* names of the pre-processors for this calculation
|
|
78447
|
+
*/
|
|
78448
|
+
preProcessors: {
|
|
78449
|
+
/**
|
|
78450
|
+
* The name of this item. e.g. scf_accuracy
|
|
78451
|
+
*/
|
|
78452
|
+
name: string;
|
|
78453
|
+
[k: string]: unknown;
|
|
78454
|
+
}[];
|
|
78455
|
+
/**
|
|
78456
|
+
* names of the post-processors for this calculation
|
|
78457
|
+
*/
|
|
78458
|
+
postProcessors: {
|
|
78459
|
+
/**
|
|
78460
|
+
* The name of this item. e.g. scf_accuracy
|
|
78461
|
+
*/
|
|
78462
|
+
name: string;
|
|
78463
|
+
[k: string]: unknown;
|
|
78464
|
+
}[];
|
|
78465
|
+
/**
|
|
78466
|
+
* names of the monitors for this calculation
|
|
78467
|
+
*/
|
|
78468
|
+
monitors: {
|
|
78469
|
+
/**
|
|
78470
|
+
* The name of this item. e.g. scf_accuracy
|
|
78471
|
+
*/
|
|
78472
|
+
name: string;
|
|
78473
|
+
[k: string]: unknown;
|
|
78474
|
+
}[];
|
|
78475
|
+
/**
|
|
78476
|
+
* names of the results for this calculation
|
|
78477
|
+
*/
|
|
78478
|
+
results: {
|
|
78479
|
+
/**
|
|
78480
|
+
* The name of this item. e.g. scf_accuracy
|
|
78481
|
+
*/
|
|
78482
|
+
name: string;
|
|
78483
|
+
[k: string]: unknown;
|
|
78484
|
+
}[];
|
|
78485
|
+
/**
|
|
78486
|
+
* entity tags
|
|
78487
|
+
*/
|
|
78488
|
+
tags?: string[];
|
|
78489
|
+
/**
|
|
78490
|
+
* Status of the unit.
|
|
78491
|
+
*/
|
|
78492
|
+
status?: "idle" | "active" | "warning" | "error" | "finished";
|
|
78493
|
+
statusTrack?: {
|
|
78494
|
+
trackedAt: number;
|
|
78495
|
+
status: string;
|
|
78496
|
+
repetition?: number;
|
|
78497
|
+
}[];
|
|
78498
|
+
isDraft?: boolean;
|
|
78499
|
+
/**
|
|
78500
|
+
* type of the unit
|
|
78501
|
+
*/
|
|
78502
|
+
type: "error";
|
|
78503
|
+
/**
|
|
78504
|
+
* Whether this unit is the first one to be executed.
|
|
78505
|
+
*/
|
|
78506
|
+
head?: boolean;
|
|
78507
|
+
/**
|
|
78508
|
+
* Identity of the unit in the workflow. Used to trace the execution flow of the workflow.
|
|
78509
|
+
*/
|
|
78510
|
+
flowchartId: string;
|
|
78511
|
+
/**
|
|
78512
|
+
* Next unit's flowchartId. If empty, the current unit is the last.
|
|
78513
|
+
*/
|
|
78514
|
+
next?: string;
|
|
78515
|
+
/**
|
|
78516
|
+
* Whether Rupy should attempt to use Jinja templating to add context variables into the unit
|
|
78517
|
+
*/
|
|
78518
|
+
enableRender?: boolean;
|
|
78519
|
+
/**
|
|
78520
|
+
* JSON string with validation/hydration details: { error, json, schema }
|
|
78521
|
+
*/
|
|
78522
|
+
reason: string;
|
|
76905
78523
|
})[];
|
|
76906
78524
|
/**
|
|
76907
78525
|
* information about the main application used for workflow categorization by application in standata.
|