@mat3ra/wode 2025.10.1-0
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/.babelrc +17 -0
- package/LICENSE.md +15 -0
- package/README.md +164 -0
- package/assets/subworkflows/deepmd/deepmd.yml +31 -0
- package/assets/subworkflows/deepmd/espresso_cp_md.yml +16 -0
- package/assets/subworkflows/espresso/average_electrostatic_potential_find_minima.yml +27 -0
- package/assets/subworkflows/espresso/average_electrostatic_potential_via_band_structure.yml +67 -0
- package/assets/subworkflows/espresso/band_gap.yml +21 -0
- package/assets/subworkflows/espresso/band_gap_hse_dos.yml +30 -0
- package/assets/subworkflows/espresso/band_structure.yml +26 -0
- package/assets/subworkflows/espresso/band_structure_dos.yml +34 -0
- package/assets/subworkflows/espresso/band_structure_hse.yml +30 -0
- package/assets/subworkflows/espresso/band_structure_magn.yml +31 -0
- package/assets/subworkflows/espresso/band_structure_soc.yml +30 -0
- package/assets/subworkflows/espresso/dielectric_tensor.yml +35 -0
- package/assets/subworkflows/espresso/dos.yml +24 -0
- package/assets/subworkflows/espresso/electronic_density_mesh.yml +19 -0
- package/assets/subworkflows/espresso/esm.yml +14 -0
- package/assets/subworkflows/espresso/esm_relax.yml +14 -0
- package/assets/subworkflows/espresso/espresso_extract_kpoints.yml +16 -0
- package/assets/subworkflows/espresso/espresso_xml_get_qpt_irr.yml +12 -0
- package/assets/subworkflows/espresso/fixed_cell_relaxation.yml +16 -0
- package/assets/subworkflows/espresso/gw_band_structure_band_gap_full_frequency.yml +22 -0
- package/assets/subworkflows/espresso/gw_band_structure_band_gap_plasmon_pole.yml +22 -0
- package/assets/subworkflows/espresso/hubbard_u_hp.yml +21 -0
- package/assets/subworkflows/espresso/kpoint_convergence.yml +86 -0
- package/assets/subworkflows/espresso/neb.yml +16 -0
- package/assets/subworkflows/espresso/ph_init_qpoints.yml +14 -0
- package/assets/subworkflows/espresso/ph_single_irr_qpt.yml +14 -0
- package/assets/subworkflows/espresso/phonon_dispersions.yml +29 -0
- package/assets/subworkflows/espresso/phonon_dos.yml +29 -0
- package/assets/subworkflows/espresso/phonon_dos_dispersion.yml +34 -0
- package/assets/subworkflows/espresso/phonon_reduce.yml +29 -0
- package/assets/subworkflows/espresso/post_processor.yml +14 -0
- package/assets/subworkflows/espresso/pre_processor.yml +14 -0
- package/assets/subworkflows/espresso/pw_scf.yml +16 -0
- package/assets/subworkflows/espresso/recalculate_bands.yml +19 -0
- package/assets/subworkflows/espresso/surface_energy.yml +16 -0
- package/assets/subworkflows/espresso/total_energy.yml +16 -0
- package/assets/subworkflows/espresso/valence_band_offset_calc_from_previous_esp_vbm.yml +35 -0
- package/assets/subworkflows/espresso/variable_cell_relaxation.yml +18 -0
- package/assets/subworkflows/espresso/zero_point_energy.yml +19 -0
- package/assets/subworkflows/jupyterLab/jupyter_notebook.yml +17 -0
- package/assets/subworkflows/nwchem/total_energy.yml +16 -0
- package/assets/subworkflows/python/ml/classification_tail.yml +56 -0
- package/assets/subworkflows/python/ml/clustering_tail.yml +62 -0
- package/assets/subworkflows/python/ml/regression_tail.yml +56 -0
- package/assets/subworkflows/python/ml/train_head.yml +61 -0
- package/assets/subworkflows/python/python_script.yml +14 -0
- package/assets/subworkflows/shell/batch_espresso_pwscf.yml +14 -0
- package/assets/subworkflows/shell/hello_world.yml +14 -0
- package/assets/subworkflows/vasp/band_gap.yml +21 -0
- package/assets/subworkflows/vasp/band_structure.yml +21 -0
- package/assets/subworkflows/vasp/band_structure_dos.yml +23 -0
- package/assets/subworkflows/vasp/dos.yml +18 -0
- package/assets/subworkflows/vasp/fixed_cell_relaxation.yml +16 -0
- package/assets/subworkflows/vasp/initial_final_total_energies.yml +25 -0
- package/assets/subworkflows/vasp/kpoint_convergence.yml +89 -0
- package/assets/subworkflows/vasp/neb_subworkflow.yml +16 -0
- package/assets/subworkflows/vasp/prepare_images.yml +16 -0
- package/assets/subworkflows/vasp/recalculate_bands.yml +16 -0
- package/assets/subworkflows/vasp/surface_energy.yml +18 -0
- package/assets/subworkflows/vasp/total_energy.yml +16 -0
- package/assets/subworkflows/vasp/variable_cell_relaxation.yml +18 -0
- package/assets/subworkflows/vasp/zero_point_energy.yml +16 -0
- package/assets/workflows/deepmd/deepmd_md.yml +6 -0
- package/assets/workflows/espresso/band_gap.yml +4 -0
- package/assets/workflows/espresso/band_gap_dos_hse.yml +4 -0
- package/assets/workflows/espresso/band_structure.yml +4 -0
- package/assets/workflows/espresso/band_structure_dos.yml +4 -0
- package/assets/workflows/espresso/band_structure_hse.yml +14 -0
- package/assets/workflows/espresso/band_structure_magn.yml +7 -0
- package/assets/workflows/espresso/band_structure_soc.yml +7 -0
- package/assets/workflows/espresso/dielectric_tensor.yml +4 -0
- package/assets/workflows/espresso/dos.yml +4 -0
- package/assets/workflows/espresso/electronic_density_mesh.yml +4 -0
- package/assets/workflows/espresso/esm.yml +4 -0
- package/assets/workflows/espresso/esm_relax.yml +4 -0
- package/assets/workflows/espresso/fixed_cell_relaxation.yml +4 -0
- package/assets/workflows/espresso/gw_band_structure_band_gap_full_frequency.yml +4 -0
- package/assets/workflows/espresso/gw_band_structure_band_gap_plasmon_pole.yml +4 -0
- package/assets/workflows/espresso/hubbard_u_hp.yml +7 -0
- package/assets/workflows/espresso/kpoint_convergence.yml +4 -0
- package/assets/workflows/espresso/neb.yml +4 -0
- package/assets/workflows/espresso/phonon_dispersions.yml +4 -0
- package/assets/workflows/espresso/phonon_dos.yml +4 -0
- package/assets/workflows/espresso/phonon_dos_dispersion.yml +4 -0
- package/assets/workflows/espresso/phonon_map.yml +28 -0
- package/assets/workflows/espresso/recalculate_bands.yml +4 -0
- package/assets/workflows/espresso/surface_energy.yml +4 -0
- package/assets/workflows/espresso/total_energy.yml +4 -0
- package/assets/workflows/espresso/valence_band_offset.yml +171 -0
- package/assets/workflows/espresso/variable_cell_relaxation.yml +4 -0
- package/assets/workflows/espresso/zero_point_energy.yml +4 -0
- package/assets/workflows/jupyterLab/jupyter_notebook.yml +4 -0
- package/assets/workflows/nwchem/total_energy.yml +4 -0
- package/assets/workflows/python/ml/classification_workflow.yml +9 -0
- package/assets/workflows/python/ml/clustering_workflow.yml +9 -0
- package/assets/workflows/python/ml/regression_workflow.yml +9 -0
- package/assets/workflows/python/python_script.yml +4 -0
- package/assets/workflows/shell/batch_espresso_pwscf.yml +4 -0
- package/assets/workflows/shell/hello_world.yml +4 -0
- package/assets/workflows/vasp/band_gap.yml +4 -0
- package/assets/workflows/vasp/band_structure.yml +4 -0
- package/assets/workflows/vasp/band_structure_dos.yml +4 -0
- package/assets/workflows/vasp/dos.yml +4 -0
- package/assets/workflows/vasp/fixed_cell_relaxation.yml +4 -0
- package/assets/workflows/vasp/kpoint_convergence.yml +4 -0
- package/assets/workflows/vasp/neb.yml +8 -0
- package/assets/workflows/vasp/recalculate_bands.yml +4 -0
- package/assets/workflows/vasp/surface_energy.yml +4 -0
- package/assets/workflows/vasp/total_energy.yml +4 -0
- package/assets/workflows/vasp/variable_cell_relaxation.yml +4 -0
- package/assets/workflows/vasp/zero_point_energy.yml +4 -0
- package/build_workflows.js +65 -0
- package/dist/context/context.js +49 -0
- package/dist/context/mixins/ApplicationContextMixin.js +19 -0
- package/dist/context/mixins/JobContextMixin.js +39 -0
- package/dist/context/mixins/MaterialContextMixin.js +40 -0
- package/dist/context/mixins/MaterialsContextMixin.js +19 -0
- package/dist/context/mixins/MaterialsSetContextMixin.js +25 -0
- package/dist/context/mixins/MethodDataContextMixin.js +48 -0
- package/dist/context/mixins/WorkflowContextMixin.js +28 -0
- package/dist/context/providers/BoundaryConditionsFormDataProvider.js +86 -0
- package/dist/context/providers/CollinearMagnetizationContextProvider.js +113 -0
- package/dist/context/providers/HubbardContextProviderLegacy.js +81 -0
- package/dist/context/providers/HubbardJContextProvider.js +74 -0
- package/dist/context/providers/HubbardUContextProvider.js +77 -0
- package/dist/context/providers/HubbardVContextProvider.js +104 -0
- package/dist/context/providers/IonDynamicsContextProvider.js +62 -0
- package/dist/context/providers/MLSettingsContextProvider.js +52 -0
- package/dist/context/providers/MLTrainTestSplitContextProvider.js +48 -0
- package/dist/context/providers/NEBFormDataProvider.js +38 -0
- package/dist/context/providers/NonCollinearMagnetizationContextProvider.js +253 -0
- package/dist/context/providers/PlanewaveCutoffsContextProvider.js +67 -0
- package/dist/context/providers/PointsGridFormDataProvider.js +272 -0
- package/dist/context/providers/PointsPathFormDataProvider.js +155 -0
- package/dist/context/providers/by_application/ExecutableContextProvider.js +17 -0
- package/dist/context/providers/by_application/espresso/QENEBContextProvider.js +60 -0
- package/dist/context/providers/by_application/espresso/QEPWXContextProvider.js +149 -0
- package/dist/context/providers/by_application/nwchem/NWChemTotalEnergyContextProvider.js +84 -0
- package/dist/context/providers/by_application/vasp/VASPContextProvider.js +64 -0
- package/dist/context/providers/by_application/vasp/VASPNEBContextProvider.js +56 -0
- package/dist/context/providers/settings.js +37 -0
- package/dist/context/providers.js +199 -0
- package/dist/enums.js +65 -0
- package/dist/index.js +64 -0
- package/dist/patch.js +19 -0
- package/dist/subworkflows/convergence/factory.js +35 -0
- package/dist/subworkflows/convergence/non_uniform_kgrid.js +31 -0
- package/dist/subworkflows/convergence/parameter.js +70 -0
- package/dist/subworkflows/convergence/uniform_kgrid.js +26 -0
- package/dist/subworkflows/convergence.js +189 -0
- package/dist/subworkflows/create.js +285 -0
- package/dist/subworkflows/dynamic/espresso/getQpointIrrep.js +34 -0
- package/dist/subworkflows/dynamic/index.js +19 -0
- package/dist/subworkflows/dynamic/surfaceEnergy.js +67 -0
- package/dist/subworkflows/index.js +19 -0
- package/dist/subworkflows/subworkflow.js +279 -0
- package/dist/units/assertion.js +37 -0
- package/dist/units/assignment.js +42 -0
- package/dist/units/base.js +91 -0
- package/dist/units/builders/AssertionUnitConfigBuilder.js +34 -0
- package/dist/units/builders/AssignmentUnitConfigBuilder.js +41 -0
- package/dist/units/builders/ExecutionUnitConfigBuilder.js +67 -0
- package/dist/units/builders/IOUnitConfigBuilder.js +54 -0
- package/dist/units/builders/UnitConfigBuilder.js +79 -0
- package/dist/units/builders/index.js +18 -0
- package/dist/units/condition.js +52 -0
- package/dist/units/execution.js +222 -0
- package/dist/units/factory.js +53 -0
- package/dist/units/index.js +82 -0
- package/dist/units/io.js +148 -0
- package/dist/units/map.js +38 -0
- package/dist/units/processing.js +41 -0
- package/dist/units/reduce.js +24 -0
- package/dist/units/subworkflow.js +23 -0
- package/dist/utils.js +92 -0
- package/dist/workflows/create.js +312 -0
- package/dist/workflows/default.js +41 -0
- package/dist/workflows/index.js +108 -0
- package/dist/workflows/relaxation.js +37 -0
- package/dist/workflows/workflow.js +303 -0
- package/package.json +94 -0
- package/src/context/context.js +47 -0
- package/src/context/mixins/ApplicationContextMixin.js +19 -0
- package/src/context/mixins/JobContextMixin.js +36 -0
- package/src/context/mixins/MaterialContextMixin.js +41 -0
- package/src/context/mixins/MaterialsContextMixin.js +18 -0
- package/src/context/mixins/MaterialsSetContextMixin.js +24 -0
- package/src/context/mixins/MethodDataContextMixin.js +48 -0
- package/src/context/mixins/WorkflowContextMixin.js +25 -0
- package/src/context/providers/BoundaryConditionsFormDataProvider.js +80 -0
- package/src/context/providers/CollinearMagnetizationContextProvider.js +117 -0
- package/src/context/providers/HubbardContextProviderLegacy.js +75 -0
- package/src/context/providers/HubbardJContextProvider.js +73 -0
- package/src/context/providers/HubbardUContextProvider.js +100 -0
- package/src/context/providers/HubbardVContextProvider.js +111 -0
- package/src/context/providers/IonDynamicsContextProvider.js +56 -0
- package/src/context/providers/MLSettingsContextProvider.js +48 -0
- package/src/context/providers/MLTrainTestSplitContextProvider.js +45 -0
- package/src/context/providers/NEBFormDataProvider.js +32 -0
- package/src/context/providers/NonCollinearMagnetizationContextProvider.js +269 -0
- package/src/context/providers/PlanewaveCutoffsContextProvider.js +68 -0
- package/src/context/providers/PointsGridFormDataProvider.js +285 -0
- package/src/context/providers/PointsPathFormDataProvider.js +165 -0
- package/src/context/providers/by_application/ExecutableContextProvider.js +10 -0
- package/src/context/providers/by_application/espresso/QENEBContextProvider.js +56 -0
- package/src/context/providers/by_application/espresso/QEPWXContextProvider.js +166 -0
- package/src/context/providers/by_application/nwchem/NWChemTotalEnergyContextProvider.js +86 -0
- package/src/context/providers/by_application/vasp/VASPContextProvider.js +56 -0
- package/src/context/providers/by_application/vasp/VASPNEBContextProvider.js +46 -0
- package/src/context/providers/settings.js +38 -0
- package/src/context/providers.js +140 -0
- package/src/enums.js +65 -0
- package/src/index.js +17 -0
- package/src/patch.js +12 -0
- package/src/subworkflows/convergence/factory.js +14 -0
- package/src/subworkflows/convergence/non_uniform_kgrid.js +28 -0
- package/src/subworkflows/convergence/parameter.js +58 -0
- package/src/subworkflows/convergence/uniform_kgrid.js +22 -0
- package/src/subworkflows/convergence.js +196 -0
- package/src/subworkflows/create.js +201 -0
- package/src/subworkflows/dynamic/espresso/getQpointIrrep.js +35 -0
- package/src/subworkflows/dynamic/index.js +8 -0
- package/src/subworkflows/dynamic/surfaceEnergy.js +124 -0
- package/src/subworkflows/index.js +2 -0
- package/src/subworkflows/subworkflow.js +329 -0
- package/src/units/assertion.js +29 -0
- package/src/units/assignment.js +34 -0
- package/src/units/base.js +97 -0
- package/src/units/builders/AssertionUnitConfigBuilder.js +28 -0
- package/src/units/builders/AssignmentUnitConfigBuilder.js +36 -0
- package/src/units/builders/ExecutionUnitConfigBuilder.js +59 -0
- package/src/units/builders/IOUnitConfigBuilder.js +53 -0
- package/src/units/builders/UnitConfigBuilder.js +86 -0
- package/src/units/builders/index.js +15 -0
- package/src/units/condition.js +47 -0
- package/src/units/execution.js +263 -0
- package/src/units/factory.js +53 -0
- package/src/units/index.js +25 -0
- package/src/units/io.js +163 -0
- package/src/units/map.js +33 -0
- package/src/units/processing.js +39 -0
- package/src/units/reduce.js +17 -0
- package/src/units/subworkflow.js +15 -0
- package/src/utils.js +73 -0
- package/src/workflows/create.js +222 -0
- package/src/workflows/default.js +39 -0
- package/src/workflows/index.js +99 -0
- package/src/workflows/relaxation.js +41 -0
- package/src/workflows/workflow.js +351 -0
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/* eslint-disable max-classes-per-file */
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import { ComputedEntityMixin, getDefaultComputeConfig } from "@exabyte-io/ide.js";
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import { tree } from "@exabyte-io/mode.js";
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import { NamedDefaultableRepetitionContextAndRenderInMemoryEntity } from "@mat3ra/code/dist/js/entity";
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import workflowSchema from "@mat3ra/esse/dist/js/schema/workflow.json";
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import { Utils } from "@mat3ra/utils";
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import lodash from "lodash";
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import { mix } from "mixwith";
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import _ from "underscore";
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import s from "underscore.string";
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import { UNIT_TYPES } from "../enums";
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import { Subworkflow } from "../subworkflows/subworkflow";
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import { MapUnit } from "../units";
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import { UnitFactory } from "../units/factory";
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import { setNextLinks, setUnitsHead } from "../utils";
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import defaultWorkflowConfig from "./default";
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import { RelaxationLogicMixin } from "./relaxation";
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const { MODEL_NAMES } = tree;
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class BaseWorkflow extends mix(NamedDefaultableRepetitionContextAndRenderInMemoryEntity).with(
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ComputedEntityMixin,
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RelaxationLogicMixin,
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) {}
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export class Workflow extends BaseWorkflow {
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static getDefaultComputeConfig = getDefaultComputeConfig;
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static jsonSchema = workflowSchema;
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static usePredefinedIds = false;
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constructor(config) {
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if (!config._id) config._id = Workflow.generateWorkflowId(config.name);
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super(config);
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this._Subworkflow = Subworkflow;
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this._UnitFactory = UnitFactory;
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this._Workflow = Workflow;
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this._MapUnit = MapUnit;
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if (!config.skipInitialize) this.initialize();
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}
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initialize() {
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const me = this;
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this._subworkflows = this.prop("subworkflows").map((x) => new me._Subworkflow(x));
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this._units = this.prop("units").map((unit) => me._UnitFactory.create(unit));
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this._json.workflows = this._json.workflows || [];
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this._workflows = this.prop("workflows").map((x) => new me._Workflow(x));
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}
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static get defaultConfig() {
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return defaultWorkflowConfig;
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}
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static generateWorkflowId(...args) {
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args[0] = `workflow-${args[0]}`;
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if (this.usePredefinedIds) return Utils.uuid.getUUIDFromNamespace(...args);
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}
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static fromSubworkflow(subworkflow, ClsConstructor = Workflow) {
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name: subworkflow.name,
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subworkflows: [subworkflow.toJSON()],
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units: setNextLinks(setUnitsHead([subworkflow.getAsUnit().toJSON()])),
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properties: subworkflow.properties,
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};
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return new ClsConstructor(config);
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}
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static fromSubworkflows(name, ClsConstructor = Workflow, ...subworkflows) {
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name,
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subworkflows,
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subworkflows.map((sw) => sw.getAsUnit()),
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);
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}
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/**
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* @summary Adds subworkflow to current workflow.
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* @param subworkflow {Subworkflow}
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* @param head {Boolean}
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*/
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addSubworkflow(subworkflow, head = false, index = -1) {
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|
+
const subworkflowUnit = subworkflow.getAsUnit();
|
|
88
|
+
if (head) {
|
|
89
|
+
this.subworkflows.unshift(subworkflow);
|
|
90
|
+
this.addUnit(subworkflowUnit, head, index);
|
|
91
|
+
} else {
|
|
92
|
+
this.subworkflows.push(subworkflow);
|
|
93
|
+
this.addUnit(subworkflowUnit, head, index);
|
|
94
|
+
}
|
|
95
|
+
}
|
|
96
|
+
|
|
97
|
+
removeSubworkflow(id) {
|
|
98
|
+
const subworkflowUnit = this.units.find((u) => u.id === id);
|
|
99
|
+
if (subworkflowUnit) this.removeUnit(subworkflowUnit.flowchartId);
|
|
100
|
+
}
|
|
101
|
+
|
|
102
|
+
subworkflowId(index) {
|
|
103
|
+
const sw = this.prop(`subworkflows[${index}]`);
|
|
104
|
+
return sw ? sw._id : null;
|
|
105
|
+
}
|
|
106
|
+
|
|
107
|
+
replaceSubworkflowAtIndex(index, newSubworkflow) {
|
|
108
|
+
this._subworkflows[index] = newSubworkflow;
|
|
109
|
+
this.setUnits(setNextLinks(setUnitsHead(this._units)));
|
|
110
|
+
}
|
|
111
|
+
|
|
112
|
+
get units() {
|
|
113
|
+
return this._units;
|
|
114
|
+
}
|
|
115
|
+
|
|
116
|
+
setUnits(arr) {
|
|
117
|
+
this._units = arr;
|
|
118
|
+
}
|
|
119
|
+
|
|
120
|
+
// returns a list of `app` Classes
|
|
121
|
+
get usedApplications() {
|
|
122
|
+
const swApplications = this.subworkflows.map((sw) => sw.application);
|
|
123
|
+
const wfApplications = lodash.flatten(this.workflows.map((w) => w.usedApplications));
|
|
124
|
+
return lodash.uniqBy(swApplications.concat(wfApplications), (a) => a.name);
|
|
125
|
+
}
|
|
126
|
+
|
|
127
|
+
// return application names
|
|
128
|
+
get usedApplicationNames() {
|
|
129
|
+
return this.usedApplications.map((a) => a.name);
|
|
130
|
+
}
|
|
131
|
+
|
|
132
|
+
get usedApplicationVersions() {
|
|
133
|
+
return this.usedApplications.map((a) => a.version);
|
|
134
|
+
}
|
|
135
|
+
|
|
136
|
+
get usedApplicationNamesWithVersions() {
|
|
137
|
+
return this.usedApplications.map((a) => `${a.name} ${a.version}`);
|
|
138
|
+
}
|
|
139
|
+
|
|
140
|
+
get usedModels() {
|
|
141
|
+
return lodash.uniq(this.subworkflows.map((sw) => sw.model.type));
|
|
142
|
+
}
|
|
143
|
+
|
|
144
|
+
get humanReadableUsedModels() {
|
|
145
|
+
return this.usedModels.filter((m) => m !== "unknown").map((m) => MODEL_NAMES[m]);
|
|
146
|
+
}
|
|
147
|
+
|
|
148
|
+
toJSON(exclude = []) {
|
|
149
|
+
return lodash.omit(
|
|
150
|
+
{
|
|
151
|
+
...super.toJSON(),
|
|
152
|
+
units: this._units.map((x) => x.toJSON()),
|
|
153
|
+
subworkflows: this._subworkflows.map((x) => x.toJSON()),
|
|
154
|
+
workflows: this.workflows.map((x) => x.toJSON()),
|
|
155
|
+
...(this.compute ? { compute: this.compute } : {}), // {"compute": null } won't pass esse validation
|
|
156
|
+
},
|
|
157
|
+
exclude,
|
|
158
|
+
);
|
|
159
|
+
}
|
|
160
|
+
|
|
161
|
+
get isDefault() {
|
|
162
|
+
return this.prop("isDefault", false);
|
|
163
|
+
}
|
|
164
|
+
|
|
165
|
+
get isMultiMaterial() {
|
|
166
|
+
const fromSubworkflows = this.subworkflows.some((sw) => sw.isMultiMaterial);
|
|
167
|
+
return this.prop("isMultiMaterial") || fromSubworkflows;
|
|
168
|
+
}
|
|
169
|
+
|
|
170
|
+
set isMultiMaterial(value) {
|
|
171
|
+
this.setProp("isMultiMaterial", value);
|
|
172
|
+
}
|
|
173
|
+
|
|
174
|
+
set isUsingDataset(value) {
|
|
175
|
+
this.setProp("isUsingDataset", value);
|
|
176
|
+
}
|
|
177
|
+
|
|
178
|
+
get isUsingDataset() {
|
|
179
|
+
return !!this.prop("isUsingDataset", false);
|
|
180
|
+
}
|
|
181
|
+
|
|
182
|
+
get properties() {
|
|
183
|
+
return lodash.uniq(lodash.flatten(this._subworkflows.map((x) => x.properties)));
|
|
184
|
+
}
|
|
185
|
+
|
|
186
|
+
get humanReadableProperties() {
|
|
187
|
+
return this.properties.map((name) => s.humanize(name));
|
|
188
|
+
}
|
|
189
|
+
|
|
190
|
+
get systemName() {
|
|
191
|
+
return s.slugify(`${this.usedApplicationNames.join(":")}-${this.name.toLowerCase()}`);
|
|
192
|
+
}
|
|
193
|
+
|
|
194
|
+
get defaultDescription() {
|
|
195
|
+
return `${this.usedModels
|
|
196
|
+
.join(", ")
|
|
197
|
+
.toUpperCase()} workflow using ${this.usedApplicationNames.join(", ")}.`;
|
|
198
|
+
}
|
|
199
|
+
|
|
200
|
+
get exabyteId() {
|
|
201
|
+
return this.prop("exabyteId");
|
|
202
|
+
}
|
|
203
|
+
|
|
204
|
+
get hash() {
|
|
205
|
+
return this.prop("hash", "");
|
|
206
|
+
}
|
|
207
|
+
|
|
208
|
+
get isOutdated() {
|
|
209
|
+
return this.prop("isOutdated", false);
|
|
210
|
+
}
|
|
211
|
+
|
|
212
|
+
get history() {
|
|
213
|
+
return this.prop("history", []);
|
|
214
|
+
}
|
|
215
|
+
|
|
216
|
+
setMethodData(methodData) {
|
|
217
|
+
this.subworkflows.forEach((sw) => {
|
|
218
|
+
const method = methodData.getMethodBySubworkflow(sw);
|
|
219
|
+
if (method) sw.model.setMethod(method);
|
|
220
|
+
});
|
|
221
|
+
|
|
222
|
+
this.workflows.forEach((wf) => {
|
|
223
|
+
wf.subworkflows.forEach((sw) => {
|
|
224
|
+
const method = methodData.getMethodBySubworkflow(sw);
|
|
225
|
+
if (method) sw.model.setMethod(method);
|
|
226
|
+
});
|
|
227
|
+
});
|
|
228
|
+
}
|
|
229
|
+
|
|
230
|
+
/**
|
|
231
|
+
* @param unit {Unit}
|
|
232
|
+
* @param head {Boolean}
|
|
233
|
+
* @param index {Number}
|
|
234
|
+
*/
|
|
235
|
+
addUnit(unit, head = false, index = -1) {
|
|
236
|
+
const { units } = this;
|
|
237
|
+
if (units.length === 0) {
|
|
238
|
+
unit.head = true;
|
|
239
|
+
this.setUnits([unit]);
|
|
240
|
+
} else {
|
|
241
|
+
if (head) {
|
|
242
|
+
units.unshift(unit);
|
|
243
|
+
} else if (index >= 0) {
|
|
244
|
+
units.splice(index, 0, unit);
|
|
245
|
+
} else {
|
|
246
|
+
units.push(unit);
|
|
247
|
+
}
|
|
248
|
+
this.setUnits(setNextLinks(setUnitsHead(units)));
|
|
249
|
+
}
|
|
250
|
+
}
|
|
251
|
+
|
|
252
|
+
removeUnit(flowchartId) {
|
|
253
|
+
if (this.units.length < 2) return;
|
|
254
|
+
|
|
255
|
+
const unit = this.units.find((x) => x.flowchartId === flowchartId);
|
|
256
|
+
const previousUnit = this.units.find((x) => x.next === unit.flowchartId);
|
|
257
|
+
if (previousUnit) {
|
|
258
|
+
delete previousUnit.next;
|
|
259
|
+
}
|
|
260
|
+
|
|
261
|
+
this._subworkflows = this._subworkflows.filter((x) => x.id !== unit.id);
|
|
262
|
+
this._units = setNextLinks(
|
|
263
|
+
setUnitsHead(this._units.filter((x) => x.flowchartId !== flowchartId)),
|
|
264
|
+
);
|
|
265
|
+
}
|
|
266
|
+
|
|
267
|
+
/**
|
|
268
|
+
* @return Subworkflow[]
|
|
269
|
+
*/
|
|
270
|
+
get subworkflows() {
|
|
271
|
+
return this._subworkflows;
|
|
272
|
+
}
|
|
273
|
+
|
|
274
|
+
get workflows() {
|
|
275
|
+
return this._workflows;
|
|
276
|
+
}
|
|
277
|
+
|
|
278
|
+
/*
|
|
279
|
+
* @param type {String|Object} Unit type, map or subworkflow
|
|
280
|
+
* @param head {Boolean}
|
|
281
|
+
* @param index {Number} Index at which the unit will be added. -1 by default (ignored).
|
|
282
|
+
*/
|
|
283
|
+
addUnitType(type, head = false, index = -1) {
|
|
284
|
+
switch (type) {
|
|
285
|
+
case UNIT_TYPES.map:
|
|
286
|
+
// eslint-disable-next-line no-case-declarations
|
|
287
|
+
const workflowConfig = defaultWorkflowConfig;
|
|
288
|
+
// eslint-disable-next-line no-case-declarations
|
|
289
|
+
const mapUnit = new this._MapUnit();
|
|
290
|
+
workflowConfig._id = this._Workflow.generateWorkflowId(workflowConfig.name);
|
|
291
|
+
this.prop("workflows").push(workflowConfig);
|
|
292
|
+
this._workflows = this.prop("workflows").map((x) => new this._Workflow(x));
|
|
293
|
+
mapUnit.setWorkflowId(workflowConfig._id);
|
|
294
|
+
this.addUnit(mapUnit, head, index);
|
|
295
|
+
break;
|
|
296
|
+
case UNIT_TYPES.subworkflow:
|
|
297
|
+
this.addSubworkflow(this._Subworkflow.createDefault(), head, index);
|
|
298
|
+
break;
|
|
299
|
+
default:
|
|
300
|
+
console.log(`unit_type=${type} unrecognized, skipping.`);
|
|
301
|
+
}
|
|
302
|
+
}
|
|
303
|
+
|
|
304
|
+
addMapUnit(mapUnit, mapWorkflow) {
|
|
305
|
+
const mapWorkflowConfig = mapWorkflow.toJSON();
|
|
306
|
+
if (!mapWorkflowConfig._id)
|
|
307
|
+
mapWorkflowConfig._id = this._Workflow.generateWorkflowId(mapWorkflowConfig.name);
|
|
308
|
+
mapUnit.setWorkflowId(mapWorkflowConfig._id);
|
|
309
|
+
this.addUnit(mapUnit);
|
|
310
|
+
this._json.workflows.push(mapWorkflowConfig);
|
|
311
|
+
const me = this;
|
|
312
|
+
this._workflows = this.prop("workflows").map((x) => new me._Workflow(x));
|
|
313
|
+
}
|
|
314
|
+
|
|
315
|
+
findSubworkflowById(id) {
|
|
316
|
+
if (!id) return;
|
|
317
|
+
|
|
318
|
+
const workflows = this.workflows || [];
|
|
319
|
+
const subworkflows = this.subworkflows || [];
|
|
320
|
+
|
|
321
|
+
const subworkflow = subworkflows.find((sw) => sw.id === id);
|
|
322
|
+
if (subworkflow) return subworkflow;
|
|
323
|
+
|
|
324
|
+
const workflow = workflows.find((w) => w.findSubworkflowById(id));
|
|
325
|
+
if (workflow) return workflow.findSubworkflowById(id);
|
|
326
|
+
|
|
327
|
+
console.warn("attempted to find a non-existing subworkflow");
|
|
328
|
+
}
|
|
329
|
+
|
|
330
|
+
get allSubworkflows() {
|
|
331
|
+
const subworkflowsList = [];
|
|
332
|
+
this.subworkflows.forEach((sw) => subworkflowsList.push(sw));
|
|
333
|
+
this.workflows.forEach((workflow) => {
|
|
334
|
+
return Array.prototype.push.apply(subworkflowsList, workflow.allSubworkflows);
|
|
335
|
+
});
|
|
336
|
+
return subworkflowsList;
|
|
337
|
+
}
|
|
338
|
+
|
|
339
|
+
/**
|
|
340
|
+
* @summary Calculates hash of the workflow. Meaningful fields are units and subworkflows.
|
|
341
|
+
* units and subworkflows must be sorted topologically before hashing (already sorted).
|
|
342
|
+
*/
|
|
343
|
+
calculateHash() {
|
|
344
|
+
const meaningfulFields = {
|
|
345
|
+
units: _.map(this.units, (u) => u.calculateHash()).join(),
|
|
346
|
+
subworkflows: _.map(this.subworkflows, (sw) => sw.calculateHash()).join(),
|
|
347
|
+
workflows: _.map(this.workflows, (w) => w.calculateHash()).join(),
|
|
348
|
+
};
|
|
349
|
+
return Utils.hash.calculateHashFromObject(meaningfulFields);
|
|
350
|
+
}
|
|
351
|
+
}
|