@mat3ra/wode 2026.5.23-0 → 2026.6.5-0
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 +1 -1
- package/dist/js/Subworkflow.d.ts +714 -0
- package/dist/js/Subworkflow.js +397 -0
- package/dist/js/Workflow.d.ts +82 -0
- package/dist/js/Workflow.js +286 -0
- package/dist/js/WorkflowDesignerMaterial.d.ts +21 -0
- package/dist/js/WorkflowDesignerMaterial.js +26 -0
- package/dist/js/context/mixins/ApplicationContextMixin.d.ts +10 -0
- package/dist/js/context/mixins/ApplicationContextMixin.js +10 -17
- package/dist/js/context/mixins/MaterialContextMixin.d.ts +18 -0
- package/dist/js/context/mixins/MaterialContextMixin.js +14 -38
- package/dist/js/context/mixins/MaterialsContextMixin.d.ts +10 -0
- package/dist/js/context/mixins/MaterialsContextMixin.js +11 -17
- package/dist/js/context/mixins/MaterialsSetContextMixin.d.ts +14 -0
- package/dist/js/context/mixins/MaterialsSetContextMixin.js +21 -23
- package/dist/js/context/providers/BoundaryConditionsFormDataManager.d.ts +30 -0
- package/dist/js/context/providers/BoundaryConditionsFormDataManager.js +62 -0
- package/dist/js/context/providers/CollinearMagnetizationDataManager.d.ts +42 -0
- package/dist/js/context/providers/CollinearMagnetizationDataManager.js +101 -0
- package/dist/js/context/providers/Hubbard/HubbardContextManagerLegacy.d.ts +29 -0
- package/dist/js/context/providers/Hubbard/HubbardContextManagerLegacy.js +69 -0
- package/dist/js/context/providers/Hubbard/HubbardContextProvider.d.ts +20 -0
- package/dist/js/context/providers/Hubbard/HubbardContextProvider.js +47 -0
- package/dist/js/context/providers/Hubbard/HubbardJContextManager.d.ts +22 -0
- package/dist/js/context/providers/Hubbard/HubbardJContextManager.js +61 -0
- package/dist/js/context/providers/Hubbard/HubbardUContextManager.d.ts +22 -0
- package/dist/js/context/providers/Hubbard/HubbardUContextManager.js +57 -0
- package/dist/js/context/providers/Hubbard/HubbardVContextManager.d.ts +22 -0
- package/dist/js/context/providers/Hubbard/HubbardVContextManager.js +79 -0
- package/dist/js/context/providers/IonDynamicsDataManager.d.ts +27 -0
- package/dist/js/context/providers/IonDynamicsDataManager.js +48 -0
- package/dist/js/context/providers/MLSettingsDataManager.d.ts +24 -0
- package/dist/js/context/providers/MLSettingsDataManager.js +42 -0
- package/dist/js/context/providers/MLTrainTestSplitDataManager.d.ts +23 -0
- package/dist/js/context/providers/MLTrainTestSplitDataManager.js +40 -0
- package/dist/js/context/providers/NEBFormDataManager.d.ts +23 -0
- package/dist/js/context/providers/NEBFormDataManager.js +39 -0
- package/dist/js/context/providers/NonCollinearMagnetizationDataManager.d.ts +78 -0
- package/dist/js/context/providers/NonCollinearMagnetizationDataManager.js +181 -0
- package/dist/js/context/providers/PlanewaveCutoffDataManager.d.ts +26 -0
- package/dist/js/context/providers/PlanewaveCutoffDataManager.js +69 -0
- package/dist/js/context/providers/PointsGrid/IGridFormDataManager.d.ts +13 -0
- package/dist/js/context/providers/PointsGrid/IGridFormDataManager.js +23 -0
- package/dist/js/context/providers/PointsGrid/KGridFormDataManager.d.ts +15 -0
- package/dist/js/context/providers/PointsGrid/KGridFormDataManager.js +30 -0
- package/dist/js/context/providers/PointsGrid/PointsGridFormDataProvider.d.ts +171 -0
- package/dist/js/context/providers/PointsGrid/PointsGridFormDataProvider.js +270 -0
- package/dist/js/context/providers/PointsGrid/QGridFormDataManager.d.ts +13 -0
- package/dist/js/context/providers/PointsGrid/QGridFormDataManager.js +23 -0
- package/dist/js/context/providers/PointsPath/ExplicitKPath2PIBAFormDataManager.d.ts +10 -0
- package/dist/js/context/providers/PointsPath/ExplicitKPath2PIBAFormDataManager.js +19 -0
- package/dist/js/context/providers/PointsPath/ExplicitKPathFormDataManager.d.ts +9 -0
- package/dist/js/context/providers/PointsPath/ExplicitKPathFormDataManager.js +18 -0
- package/dist/js/context/providers/PointsPath/IPathFormDataManager.d.ts +8 -0
- package/dist/js/context/providers/PointsPath/IPathFormDataManager.js +17 -0
- package/dist/js/context/providers/PointsPath/KPathFormDataManager.d.ts +8 -0
- package/dist/js/context/providers/PointsPath/KPathFormDataManager.js +17 -0
- package/dist/js/context/providers/PointsPath/PointsPathFormDataProvider.d.ts +40 -0
- package/dist/js/context/providers/PointsPath/PointsPathFormDataProvider.js +125 -0
- package/dist/js/context/providers/PointsPath/QPathFormDataManager.d.ts +8 -0
- package/dist/js/context/providers/PointsPath/QPathFormDataManager.js +17 -0
- package/dist/js/context/providers/base/ContextProvider.d.ts +75 -0
- package/dist/js/context/providers/base/ContextProvider.js +87 -0
- package/dist/js/context/providers/base/JSONSchemaDataProvider.d.ts +16 -0
- package/dist/js/context/providers/base/JSONSchemaDataProvider.js +17 -0
- package/dist/js/context/providers/base/JSONSchemaFormDataProvider.d.ts +19 -0
- package/dist/js/context/providers/base/JSONSchemaFormDataProvider.js +32 -0
- package/dist/js/context/providers/by_application/espresso/QENEBInputDataManager.d.ts +26 -0
- package/dist/js/context/providers/by_application/espresso/QENEBInputDataManager.js +54 -0
- package/dist/js/context/providers/by_application/espresso/QEPWXInputDataManager.d.ts +78 -0
- package/dist/js/context/providers/by_application/espresso/QEPWXInputDataManager.js +104 -0
- package/dist/js/context/providers/by_application/nwchem/NWChemInputDataManager.d.ts +36 -0
- package/dist/js/context/providers/by_application/nwchem/NWChemInputDataManager.js +58 -0
- package/dist/js/context/providers/by_application/vasp/VASPInputDataManager.d.ts +36 -0
- package/dist/js/context/providers/by_application/vasp/VASPInputDataManager.js +56 -0
- package/dist/js/context/providers/by_application/vasp/VASPNEBInputDataManager.d.ts +30 -0
- package/dist/js/context/providers/by_application/vasp/VASPNEBInputDataManager.js +50 -0
- package/dist/js/context/providers/index.d.ts +92 -0
- package/dist/js/context/providers/index.js +107 -0
- package/dist/js/context/providers/settings.d.ts +7 -0
- package/dist/js/context/providers/settings.js +11 -33
- package/dist/js/convergence/ConvergenceParameter.d.ts +26 -0
- package/dist/js/convergence/ConvergenceParameter.js +13 -0
- package/dist/js/convergence/NonUniformKGridConvergence.d.ts +12 -0
- package/dist/js/convergence/NonUniformKGridConvergence.js +31 -0
- package/dist/js/convergence/UniformKGridConvergence.d.ts +8 -0
- package/dist/js/convergence/UniformKGridConvergence.js +22 -0
- package/dist/js/convergence/factory.d.ts +8 -0
- package/dist/js/convergence/factory.js +18 -0
- package/dist/js/enums.d.ts +62 -0
- package/dist/js/enums.js +66 -61
- package/dist/js/generated/AssertionUnitSchemaMixin.d.ts +5 -0
- package/dist/js/generated/AssertionUnitSchemaMixin.js +27 -0
- package/dist/js/generated/AssignmentUnitSchemaMixin.d.ts +5 -0
- package/dist/js/generated/AssignmentUnitSchemaMixin.js +33 -0
- package/dist/js/generated/BaseUnitSchemaMixin.d.ts +5 -0
- package/dist/js/generated/BaseUnitSchemaMixin.js +57 -0
- package/dist/js/generated/ConditionUnitSchemaMixin.d.ts +5 -0
- package/dist/js/generated/ConditionUnitSchemaMixin.js +51 -0
- package/dist/js/generated/ExecutionUnitInputSchemaMixin.d.ts +5 -0
- package/dist/js/generated/ExecutionUnitInputSchemaMixin.js +27 -0
- package/dist/js/generated/ExecutionUnitSchemaMixin.d.ts +5 -0
- package/dist/js/generated/ExecutionUnitSchemaMixin.js +45 -0
- package/dist/js/generated/IOUnitSchemaMixin.d.ts +5 -0
- package/dist/js/generated/IOUnitSchemaMixin.js +33 -0
- package/dist/js/generated/MapUnitSchemaMixin.d.ts +5 -0
- package/dist/js/generated/MapUnitSchemaMixin.js +27 -0
- package/dist/js/generated/ReduceUnitSchemaMixin.d.ts +5 -0
- package/dist/js/generated/ReduceUnitSchemaMixin.js +27 -0
- package/dist/js/generated/StatusSchemaMixin.d.ts +5 -0
- package/dist/js/generated/StatusSchemaMixin.js +21 -0
- package/dist/js/generated/SubworkflowSchemaMixin.d.ts +5 -0
- package/dist/js/generated/SubworkflowSchemaMixin.js +51 -0
- package/dist/js/generated/SubworkflowUnitSchemaMixin.d.ts +5 -0
- package/dist/js/generated/SubworkflowUnitSchemaMixin.js +15 -0
- package/dist/js/generated/WorkflowSchemaMixin.d.ts +5 -0
- package/dist/js/generated/WorkflowSchemaMixin.js +51 -0
- package/dist/js/index.d.ts +13 -0
- package/dist/js/index.js +66 -176
- package/dist/js/units/AssertionUnit.d.ts +20 -0
- package/dist/js/units/AssertionUnit.js +33 -0
- package/dist/js/units/AssignmentUnit.d.ts +17 -0
- package/dist/js/units/AssignmentUnit.js +35 -0
- package/dist/js/units/BaseUnit.d.ts +39 -0
- package/dist/js/units/BaseUnit.js +70 -0
- package/dist/js/units/ConditionUnit.d.ts +17 -0
- package/dist/js/units/ConditionUnit.js +37 -0
- package/dist/js/units/ExecutionUnit.d.ts +115 -0
- package/dist/js/units/ExecutionUnit.js +181 -0
- package/dist/js/units/ExecutionUnitInput.d.ts +22 -0
- package/dist/js/units/ExecutionUnitInput.js +47 -0
- package/dist/js/units/IOUnit.d.ts +16 -0
- package/dist/js/units/IOUnit.js +31 -0
- package/dist/js/units/MapUnit.d.ts +34 -0
- package/dist/js/units/MapUnit.js +46 -0
- package/dist/js/units/ReduceUnit.d.ts +16 -0
- package/dist/js/units/ReduceUnit.js +30 -0
- package/dist/js/units/SubworkflowUnit.d.ts +16 -0
- package/dist/js/units/SubworkflowUnit.js +28 -0
- package/dist/js/units/factory.d.ts +31 -0
- package/dist/js/units/factory.js +65 -47
- package/dist/js/units/index.d.ts +14 -0
- package/dist/js/units/index.js +25 -81
- package/dist/js/units/mixins/RuntimeItemsUILogicMixin.d.ts +26 -0
- package/dist/js/units/mixins/RuntimeItemsUILogicMixin.js +50 -0
- package/dist/js/utils/baseUnits.d.ts +2 -0
- package/dist/js/utils/baseUnits.js +11 -0
- package/dist/js/utils/index.d.ts +3 -0
- package/dist/js/utils/index.js +39 -0
- package/dist/js/utils/subworkflow.d.ts +2 -0
- package/dist/js/utils/subworkflow.js +29 -0
- package/dist/js/utils/underscoreStringSlugify.d.ts +6 -0
- package/dist/js/utils/underscoreStringSlugify.js +32 -0
- package/dist/js/utils/units.d.ts +4 -0
- package/dist/js/utils/units.js +16 -0
- package/dist/js/utils/workflow.d.ts +9 -0
- package/dist/js/utils/workflow.js +67 -0
- package/dist/js/workflows/default.d.ts +3 -0
- package/dist/js/workflows/default.js +43 -39
- package/dist/js/workflows/workflow.d.ts +4404 -0
- package/dist/js/workflows/workflow.js +310 -306
- package/package.json +56 -44
- package/src/js/Subworkflow.ts +532 -0
- package/src/js/Workflow.ts +390 -0
- package/src/js/context/mixins/ApplicationContextMixin.ts +21 -0
- package/src/js/context/mixins/MaterialContextMixin.ts +35 -0
- package/src/js/context/mixins/MaterialsContextMixin.ts +24 -0
- package/src/js/context/mixins/MaterialsSetContextMixin.ts +42 -0
- package/src/js/context/providers/BoundaryConditionsFormDataManager.ts +88 -0
- package/src/js/context/providers/CollinearMagnetizationDataManager.ts +140 -0
- package/src/js/context/providers/Hubbard/HubbardContextManagerLegacy.ts +93 -0
- package/src/js/context/providers/Hubbard/HubbardContextProvider.ts +85 -0
- package/src/js/context/providers/Hubbard/HubbardJContextManager.ts +82 -0
- package/src/js/context/providers/Hubbard/HubbardUContextManager.ts +78 -0
- package/src/js/context/providers/Hubbard/HubbardVContextManager.ts +100 -0
- package/src/js/context/providers/IonDynamicsDataManager.ts +64 -0
- package/src/js/context/providers/MLSettingsDataManager.ts +61 -0
- package/src/js/context/providers/MLTrainTestSplitDataManager.ts +59 -0
- package/src/js/context/providers/NEBFormDataManager.ts +57 -0
- package/src/js/context/providers/NonCollinearMagnetizationDataManager.ts +229 -0
- package/src/js/context/providers/PlanewaveCutoffDataManager.ts +110 -0
- package/src/js/context/providers/PointsGrid/IGridFormDataManager.ts +36 -0
- package/src/js/context/providers/PointsGrid/KGridFormDataManager.ts +46 -0
- package/src/js/context/providers/PointsGrid/PointsGridFormDataProvider.ts +371 -0
- package/src/js/context/providers/PointsGrid/QGridFormDataManager.ts +36 -0
- package/src/js/context/providers/PointsPath/ExplicitKPath2PIBAFormDataManager.ts +26 -0
- package/src/js/context/providers/PointsPath/ExplicitKPathFormDataManager.ts +24 -0
- package/src/js/context/providers/PointsPath/IPathFormDataManager.ts +22 -0
- package/src/js/context/providers/PointsPath/KPathFormDataManager.ts +22 -0
- package/src/js/context/providers/PointsPath/PointsPathFormDataProvider.ts +192 -0
- package/src/js/context/providers/PointsPath/QPathFormDataManager.ts +22 -0
- package/src/js/context/providers/base/ContextProvider.ts +150 -0
- package/src/js/context/providers/base/JSONSchemaDataProvider.ts +31 -0
- package/src/js/context/providers/base/JSONSchemaFormDataProvider.ts +38 -0
- package/src/js/context/providers/by_application/espresso/QENEBInputDataManager.ts +107 -0
- package/src/js/context/providers/by_application/espresso/QEPWXInputDataManager.ts +178 -0
- package/src/js/context/providers/by_application/nwchem/NWChemInputDataManager.ts +93 -0
- package/src/js/context/providers/by_application/vasp/VASPInputDataManager.ts +89 -0
- package/src/js/context/providers/by_application/vasp/VASPNEBInputDataManager.ts +92 -0
- package/src/js/context/providers/index.ts +155 -0
- package/src/js/context/providers/settings.ts +13 -0
- package/src/js/convergence/ConvergenceParameter.ts +37 -0
- package/src/js/convergence/NonUniformKGridConvergence.ts +38 -0
- package/src/js/convergence/UniformKGridConvergence.ts +26 -0
- package/src/js/convergence/factory.ts +18 -0
- package/src/js/{enums.js → enums.ts} +27 -22
- package/src/js/generated/AssertionUnitSchemaMixin.ts +34 -0
- package/src/js/generated/AssignmentUnitSchemaMixin.ts +40 -0
- package/src/js/generated/BaseUnitSchemaMixin.ts +64 -0
- package/src/js/generated/ConditionUnitSchemaMixin.ts +58 -0
- package/src/js/generated/ExecutionUnitInputSchemaMixin.ts +36 -0
- package/src/js/generated/ExecutionUnitSchemaMixin.ts +52 -0
- package/src/js/generated/IOUnitSchemaMixin.ts +40 -0
- package/src/js/generated/MapUnitSchemaMixin.ts +34 -0
- package/src/js/generated/ReduceUnitSchemaMixin.ts +34 -0
- package/src/js/generated/StatusSchemaMixin.ts +28 -0
- package/src/js/generated/SubworkflowSchemaMixin.ts +58 -0
- package/src/js/generated/SubworkflowUnitSchemaMixin.ts +22 -0
- package/src/js/generated/WorkflowSchemaMixin.ts +58 -0
- package/src/js/index.ts +44 -0
- package/src/js/units/AssertionUnit.ts +49 -0
- package/src/js/units/AssignmentUnit.ts +49 -0
- package/src/js/units/BaseUnit.ts +117 -0
- package/src/js/units/ConditionUnit.ts +52 -0
- package/src/js/units/ExecutionUnit.ts +274 -0
- package/src/js/units/ExecutionUnitInput.ts +71 -0
- package/src/js/units/IOUnit.ts +43 -0
- package/src/js/units/MapUnit.ts +59 -0
- package/src/js/units/ReduceUnit.ts +46 -0
- package/src/js/units/SubworkflowUnit.ts +44 -0
- package/src/js/units/factory.ts +131 -0
- package/src/js/units/index.ts +27 -0
- package/src/js/units/mixins/RuntimeItemsUILogicMixin.ts +81 -0
- package/src/js/utils/baseUnits.ts +11 -0
- package/src/js/utils/index.ts +3 -0
- package/src/js/utils/units.ts +23 -0
- package/src/js/utils/workflow.ts +69 -0
- package/src/js/workflows/{default.js → default.ts} +8 -1
- package/build_workflows.js +0 -65
- package/dist/js/context/context.js +0 -49
- package/dist/js/context/mixins/JobContextMixin.js +0 -39
- package/dist/js/context/mixins/MethodDataContextMixin.js +0 -48
- package/dist/js/context/mixins/WorkflowContextMixin.js +0 -28
- package/dist/js/context/providers/BoundaryConditionsFormDataProvider.js +0 -84
- package/dist/js/context/providers/CollinearMagnetizationContextProvider.js +0 -96
- package/dist/js/context/providers/HubbardContextProviderLegacy.js +0 -68
- package/dist/js/context/providers/HubbardJContextProvider.js +0 -67
- package/dist/js/context/providers/HubbardUContextProvider.js +0 -70
- package/dist/js/context/providers/HubbardVContextProvider.js +0 -92
- package/dist/js/context/providers/IonDynamicsContextProvider.js +0 -58
- package/dist/js/context/providers/MLSettingsContextProvider.js +0 -51
- package/dist/js/context/providers/MLTrainTestSplitContextProvider.js +0 -47
- package/dist/js/context/providers/NEBFormDataProvider.js +0 -42
- package/dist/js/context/providers/NonCollinearMagnetizationContextProvider.js +0 -187
- package/dist/js/context/providers/PlanewaveCutoffsContextProvider.js +0 -67
- package/dist/js/context/providers/PointsGridFormDataProvider.js +0 -263
- package/dist/js/context/providers/PointsPathFormDataProvider.js +0 -147
- package/dist/js/context/providers/by_application/ExecutableContextProvider.js +0 -25
- package/dist/js/context/providers/by_application/espresso/QENEBContextProvider.js +0 -61
- package/dist/js/context/providers/by_application/espresso/QEPWXContextProvider.js +0 -150
- package/dist/js/context/providers/by_application/nwchem/NWChemTotalEnergyContextProvider.js +0 -85
- package/dist/js/context/providers/by_application/vasp/VASPContextProvider.js +0 -65
- package/dist/js/context/providers/by_application/vasp/VASPNEBContextProvider.js +0 -57
- package/dist/js/context/providers.js +0 -199
- package/dist/js/patch.js +0 -19
- package/dist/js/subworkflows/convergence/non_uniform_kgrid.js +0 -31
- package/dist/js/subworkflows/convergence/parameter.js +0 -70
- package/dist/js/subworkflows/convergence/uniform_kgrid.js +0 -26
- package/dist/js/subworkflows/convergence.js +0 -189
- package/dist/js/subworkflows/create.js +0 -293
- package/dist/js/subworkflows/dynamic/espresso/getQpointIrrep.js +0 -34
- package/dist/js/subworkflows/dynamic/index.js +0 -19
- package/dist/js/subworkflows/dynamic/surfaceEnergy.js +0 -67
- package/dist/js/subworkflows/index.js +0 -19
- package/dist/js/units/assertion.js +0 -37
- package/dist/js/units/assignment.js +0 -42
- package/dist/js/units/base.js +0 -91
- package/dist/js/units/builders/AssertionUnitConfigBuilder.js +0 -34
- package/dist/js/units/builders/AssignmentUnitConfigBuilder.js +0 -41
- package/dist/js/units/builders/ExecutionUnitConfigBuilder.js +0 -67
- package/dist/js/units/builders/IOUnitConfigBuilder.js +0 -54
- package/dist/js/units/builders/UnitConfigBuilder.js +0 -85
- package/dist/js/units/builders/index.js +0 -18
- package/dist/js/units/condition.js +0 -52
- package/dist/js/units/execution.js +0 -225
- package/dist/js/units/io.js +0 -148
- package/dist/js/units/map.js +0 -38
- package/dist/js/units/processing.js +0 -41
- package/dist/js/units/reduce.js +0 -24
- package/dist/js/units/subworkflow.js +0 -23
- package/dist/js/workflows/create.js +0 -318
- package/dist/js/workflows/index.js +0 -113
- package/dist/js/workflows/relaxation.js +0 -38
- package/src/js/context/context.js +0 -47
- package/src/js/context/mixins/ApplicationContextMixin.js +0 -19
- package/src/js/context/mixins/JobContextMixin.js +0 -36
- package/src/js/context/mixins/MaterialContextMixin.js +0 -41
- package/src/js/context/mixins/MaterialsContextMixin.js +0 -18
- package/src/js/context/mixins/MaterialsSetContextMixin.js +0 -24
- package/src/js/context/mixins/MethodDataContextMixin.js +0 -48
- package/src/js/context/mixins/WorkflowContextMixin.js +0 -25
- package/src/js/context/providers/BoundaryConditionsFormDataProvider.js +0 -72
- package/src/js/context/providers/CollinearMagnetizationContextProvider.js +0 -105
- package/src/js/context/providers/HubbardContextProviderLegacy.js +0 -67
- package/src/js/context/providers/HubbardJContextProvider.js +0 -65
- package/src/js/context/providers/HubbardUContextProvider.js +0 -95
- package/src/js/context/providers/HubbardVContextProvider.js +0 -96
- package/src/js/context/providers/IonDynamicsContextProvider.js +0 -44
- package/src/js/context/providers/MLSettingsContextProvider.js +0 -45
- package/src/js/context/providers/MLTrainTestSplitContextProvider.js +0 -43
- package/src/js/context/providers/NEBFormDataProvider.js +0 -33
- package/src/js/context/providers/NonCollinearMagnetizationContextProvider.js +0 -179
- package/src/js/context/providers/PlanewaveCutoffsContextProvider.js +0 -65
- package/src/js/context/providers/PointsGridFormDataProvider.js +0 -271
- package/src/js/context/providers/PointsPathFormDataProvider.js +0 -163
- package/src/js/context/providers/by_application/ExecutableContextProvider.js +0 -17
- package/src/js/context/providers/by_application/espresso/QENEBContextProvider.js +0 -58
- package/src/js/context/providers/by_application/espresso/QEPWXContextProvider.js +0 -168
- package/src/js/context/providers/by_application/nwchem/NWChemTotalEnergyContextProvider.js +0 -89
- package/src/js/context/providers/by_application/vasp/VASPContextProvider.js +0 -58
- package/src/js/context/providers/by_application/vasp/VASPNEBContextProvider.js +0 -48
- package/src/js/context/providers/settings.js +0 -38
- package/src/js/context/providers.js +0 -140
- package/src/js/index.js +0 -57
- package/src/js/patch.js +0 -12
- package/src/js/subworkflows/convergence/enums.js +0 -12
- package/src/js/subworkflows/convergence/factory.js +0 -15
- package/src/js/subworkflows/convergence/non_uniform_kgrid.js +0 -28
- package/src/js/subworkflows/convergence/parameter.js +0 -58
- package/src/js/subworkflows/convergence/uniform_kgrid.js +0 -22
- package/src/js/subworkflows/convergence.js +0 -196
- package/src/js/subworkflows/create.js +0 -220
- package/src/js/subworkflows/dynamic/espresso/getQpointIrrep.js +0 -35
- package/src/js/subworkflows/dynamic/index.js +0 -8
- package/src/js/subworkflows/dynamic/surfaceEnergy.js +0 -124
- package/src/js/subworkflows/index.js +0 -2
- package/src/js/subworkflows/subworkflow.js +0 -345
- package/src/js/units/assertion.js +0 -29
- package/src/js/units/assignment.js +0 -34
- package/src/js/units/base.js +0 -97
- package/src/js/units/builders/AssertionUnitConfigBuilder.js +0 -28
- package/src/js/units/builders/AssignmentUnitConfigBuilder.js +0 -36
- package/src/js/units/builders/ExecutionUnitConfigBuilder.js +0 -59
- package/src/js/units/builders/IOUnitConfigBuilder.js +0 -53
- package/src/js/units/builders/UnitConfigBuilder.js +0 -92
- package/src/js/units/builders/index.js +0 -15
- package/src/js/units/condition.js +0 -47
- package/src/js/units/execution.js +0 -267
- package/src/js/units/factory.js +0 -53
- package/src/js/units/index.js +0 -25
- package/src/js/units/io.js +0 -163
- package/src/js/units/map.js +0 -33
- package/src/js/units/processing.js +0 -39
- package/src/js/units/reduce.js +0 -17
- package/src/js/units/subworkflow.js +0 -15
- package/src/js/utils.js +0 -73
- package/src/js/workflows/create.js +0 -227
- package/src/js/workflows/index.js +0 -98
- package/src/js/workflows/relaxation.js +0 -42
- package/src/js/workflows/workflow.js +0 -388
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"use strict";
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Object.defineProperty(exports, "__esModule", { value: true });
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exports.iOUnitSchemaMixin = iOUnitSchemaMixin;
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function iOUnitSchemaMixin(item) {
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// @ts-expect-error
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}
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import type { InMemoryEntity } from "@mat3ra/code/dist/js/entity";
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import type { MapUnitMixinSchema } from "@mat3ra/esse/dist/js/types";
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export type MapUnitSchemaMixin = MapUnitMixinSchema;
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export type MapUnitInMemoryEntity = InMemoryEntity & MapUnitSchemaMixin;
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export declare function mapUnitSchemaMixin<T extends InMemoryEntity>(item: InMemoryEntity): asserts item is T & MapUnitSchemaMixin;
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"use strict";
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exports.mapUnitSchemaMixin = mapUnitSchemaMixin;
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function mapUnitSchemaMixin(item) {
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// @ts-expect-error
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const properties = {
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get type() {
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},
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get workflowId() {
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return this.requiredProp("workflowId");
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},
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set workflowId(value) {
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this.setProp("workflowId", value);
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get input() {
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set input(value) {
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this.setProp("input", value);
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};
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}
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import type { InMemoryEntity } from "@mat3ra/code/dist/js/entity";
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import type { ReduceUnitMixinSchema } from "@mat3ra/esse/dist/js/types";
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export type ReduceUnitSchemaMixin = ReduceUnitMixinSchema;
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export type ReduceUnitInMemoryEntity = InMemoryEntity & ReduceUnitSchemaMixin;
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export declare function reduceUnitSchemaMixin<T extends InMemoryEntity>(item: InMemoryEntity): asserts item is T & ReduceUnitSchemaMixin;
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"use strict";
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Object.defineProperty(exports, "__esModule", { value: true });
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exports.reduceUnitSchemaMixin = reduceUnitSchemaMixin;
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function reduceUnitSchemaMixin(item) {
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// @ts-expect-error
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const properties = {
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get type() {
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},
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set type(value) {
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this.setProp("type", value);
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},
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get mapFlowchartId() {
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return this.requiredProp("mapFlowchartId");
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},
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set mapFlowchartId(value) {
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this.setProp("mapFlowchartId", value);
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},
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get input() {
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return this.requiredProp("input");
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},
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set input(value) {
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this.setProp("input", value);
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},
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};
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Object.defineProperties(item, Object.getOwnPropertyDescriptors(properties));
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}
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import type { InMemoryEntity } from "@mat3ra/code/dist/js/entity";
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import type { StatusSchema } from "@mat3ra/esse/dist/js/types";
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export type StatusSchemaMixin = StatusSchema;
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export type StatusInMemoryEntity = InMemoryEntity & StatusSchemaMixin;
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export declare function statusSchemaMixin<T extends InMemoryEntity>(item: InMemoryEntity): asserts item is T & StatusSchemaMixin;
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"use strict";
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Object.defineProperty(exports, "__esModule", { value: true });
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exports.statusSchemaMixin = statusSchemaMixin;
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function statusSchemaMixin(item) {
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// @ts-expect-error
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const properties = {
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get status() {
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return this.prop("status");
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},
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set status(value) {
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this.setProp("status", value);
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},
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get statusTrack() {
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return this.prop("statusTrack");
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},
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set statusTrack(value) {
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this.setProp("statusTrack", value);
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},
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};
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Object.defineProperties(item, Object.getOwnPropertyDescriptors(properties));
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}
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import type { InMemoryEntity } from "@mat3ra/code/dist/js/entity";
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import type { SubworkflowMixinSchema } from "@mat3ra/esse/dist/js/types";
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export type SubworkflowSchemaMixin = SubworkflowMixinSchema;
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export type SubworkflowInMemoryEntity = InMemoryEntity & SubworkflowSchemaMixin;
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export declare function subworkflowSchemaMixin<T extends InMemoryEntity>(item: InMemoryEntity): asserts item is T & SubworkflowSchemaMixin;
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Object.defineProperty(exports, "__esModule", { value: true });
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exports.subworkflowSchemaMixin = subworkflowSchemaMixin;
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function subworkflowSchemaMixin(item) {
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// @ts-expect-error
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const properties = {
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get properties() {
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return this.requiredProp("properties");
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},
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set properties(value) {
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this.setProp("properties", value);
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},
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get compute() {
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return this.prop("compute");
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},
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set compute(value) {
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this.setProp("compute", value);
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},
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get units() {
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return this.requiredProp("units");
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},
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set units(value) {
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this.setProp("units", value);
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},
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get model() {
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set model(value) {
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this.setProp("model", value);
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},
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get application() {
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return this.requiredProp("application");
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},
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set application(value) {
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this.setProp("application", value);
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},
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get isMultiMaterial() {
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return this.prop("isMultiMaterial");
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},
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set isMultiMaterial(value) {
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this.setProp("isMultiMaterial", value);
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},
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get isDraft() {
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},
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set isDraft(value) {
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this.setProp("isDraft", value);
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},
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};
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Object.defineProperties(item, Object.getOwnPropertyDescriptors(properties));
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}
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import type { InMemoryEntity } from "@mat3ra/code/dist/js/entity";
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import type { SubworkflowUnitMixinSchema } from "@mat3ra/esse/dist/js/types";
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export type SubworkflowUnitSchemaMixin = SubworkflowUnitMixinSchema;
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export type SubworkflowUnitInMemoryEntity = InMemoryEntity & SubworkflowUnitSchemaMixin;
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export declare function subworkflowUnitSchemaMixin<T extends InMemoryEntity>(item: InMemoryEntity): asserts item is T & SubworkflowUnitSchemaMixin;
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"use strict";
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Object.defineProperty(exports, "__esModule", { value: true });
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exports.subworkflowUnitSchemaMixin = subworkflowUnitSchemaMixin;
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function subworkflowUnitSchemaMixin(item) {
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// @ts-expect-error
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const properties = {
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get type() {
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return this.prop("type");
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},
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set type(value) {
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this.setProp("type", value);
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},
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};
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Object.defineProperties(item, Object.getOwnPropertyDescriptors(properties));
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}
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import type { InMemoryEntity } from "@mat3ra/code/dist/js/entity";
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import type { BaseWorkflowSchema } from "@mat3ra/esse/dist/js/types";
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export type WorkflowSchemaMixin = BaseWorkflowSchema;
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export type WorkflowInMemoryEntity = InMemoryEntity & WorkflowSchemaMixin;
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export declare function workflowSchemaMixin<T extends InMemoryEntity>(item: InMemoryEntity): asserts item is T & WorkflowSchemaMixin;
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"use strict";
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Object.defineProperty(exports, "__esModule", { value: true });
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exports.workflowSchemaMixin = workflowSchemaMixin;
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function workflowSchemaMixin(item) {
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// @ts-expect-error
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const properties = {
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get properties() {
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return this.requiredProp("properties");
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},
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set properties(value) {
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this.setProp("properties", value);
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},
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get isUsingDataset() {
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return this.prop("isUsingDataset");
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},
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set isUsingDataset(value) {
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this.setProp("isUsingDataset", value);
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},
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get isMultiMaterial() {
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return this.prop("isMultiMaterial");
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},
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set isMultiMaterial(value) {
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this.setProp("isMultiMaterial", value);
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},
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get subworkflows() {
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return this.requiredProp("subworkflows");
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},
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set subworkflows(value) {
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this.setProp("subworkflows", value);
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},
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get units() {
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return this.requiredProp("units");
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},
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set units(value) {
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this.setProp("units", value);
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},
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get application() {
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return this.prop("application");
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},
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set application(value) {
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this.setProp("application", value);
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},
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get tags() {
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return this.prop("tags");
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},
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set tags(value) {
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this.setProp("tags", value);
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},
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};
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Object.defineProperties(item, Object.getOwnPropertyDescriptors(properties));
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}
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|
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1
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import PointsPathFormDataProvider from "./context/providers/PointsPath/PointsPathFormDataProvider";
|
|
2
|
+
import { globalSettings } from "./context/providers/settings";
|
|
3
|
+
import { TAB_NAVIGATION_CONFIG, UNIT_NAME_INVALID_CHARS, WORKFLOW_STATUSES } from "./enums";
|
|
4
|
+
import Subworkflow from "./Subworkflow";
|
|
5
|
+
import { AssertionUnit, AssignmentUnit, BaseUnit, ConditionUnit, ExecutionUnit, IOUnit, MapUnit, ReduceUnit, SubworkflowUnit } from "./units";
|
|
6
|
+
import { UnitFactory } from "./units/factory";
|
|
7
|
+
import { defaultMapConfig } from "./units/MapUnit";
|
|
8
|
+
import * as utils from "./utils";
|
|
9
|
+
import Workflow from "./Workflow";
|
|
10
|
+
export type { OrderedMaterial } from "./context/mixins/MaterialContextMixin";
|
|
11
|
+
export type { MaterialsSet } from "./context/mixins/MaterialsSetContextMixin";
|
|
12
|
+
export type { AnySubworkflowUnit, DefaultSubworkflowUnitType } from "./units/factory";
|
|
13
|
+
export { Subworkflow, Workflow, UnitFactory, TAB_NAVIGATION_CONFIG, UNIT_NAME_INVALID_CHARS, WORKFLOW_STATUSES, BaseUnit, ExecutionUnit, AssertionUnit, AssignmentUnit, ConditionUnit, IOUnit, MapUnit, ReduceUnit, SubworkflowUnit, defaultMapConfig, PointsPathFormDataProvider, globalSettings, utils, };
|
package/dist/js/index.js
CHANGED
|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
|
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|
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|
|
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|
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|
|
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|
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}));
|
|
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|
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|
|
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|
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|
|
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|
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|
|
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|
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|
|
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|
+
});
|
|
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|
+
var __importStar = (this && this.__importStar) || (function () {
|
|
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|
+
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|
|
20
|
+
ownKeys = Object.getOwnPropertyNames || function (o) {
|
|
21
|
+
var ar = [];
|
|
22
|
+
for (var k in o) if (Object.prototype.hasOwnProperty.call(o, k)) ar[ar.length] = k;
|
|
23
|
+
return ar;
|
|
24
|
+
};
|
|
25
|
+
return ownKeys(o);
|
|
26
|
+
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|
|
27
|
+
return function (mod) {
|
|
28
|
+
if (mod && mod.__esModule) return mod;
|
|
29
|
+
var result = {};
|
|
30
|
+
if (mod != null) for (var k = ownKeys(mod), i = 0; i < k.length; i++) if (k[i] !== "default") __createBinding(result, mod, k[i]);
|
|
31
|
+
__setModuleDefault(result, mod);
|
|
32
|
+
return result;
|
|
33
|
+
};
|
|
34
|
+
})();
|
|
35
|
+
var __importDefault = (this && this.__importDefault) || function (mod) {
|
|
36
|
+
return (mod && mod.__esModule) ? mod : { "default": mod };
|
|
37
|
+
};
|
|
38
|
+
Object.defineProperty(exports, "__esModule", { value: true });
|
|
39
|
+
exports.utils = exports.globalSettings = exports.PointsPathFormDataProvider = exports.defaultMapConfig = exports.SubworkflowUnit = exports.ReduceUnit = exports.MapUnit = exports.IOUnit = exports.ConditionUnit = exports.AssignmentUnit = exports.AssertionUnit = exports.ExecutionUnit = exports.BaseUnit = exports.WORKFLOW_STATUSES = exports.UNIT_NAME_INVALID_CHARS = exports.TAB_NAVIGATION_CONFIG = exports.UnitFactory = exports.Workflow = exports.Subworkflow = void 0;
|
|
40
|
+
const PointsPathFormDataProvider_1 = __importDefault(require("./context/providers/PointsPath/PointsPathFormDataProvider"));
|
|
41
|
+
exports.PointsPathFormDataProvider = PointsPathFormDataProvider_1.default;
|
|
42
|
+
const settings_1 = require("./context/providers/settings");
|
|
43
|
+
Object.defineProperty(exports, "globalSettings", { enumerable: true, get: function () { return settings_1.globalSettings; } });
|
|
44
|
+
const enums_1 = require("./enums");
|
|
45
|
+
Object.defineProperty(exports, "TAB_NAVIGATION_CONFIG", { enumerable: true, get: function () { return enums_1.TAB_NAVIGATION_CONFIG; } });
|
|
46
|
+
Object.defineProperty(exports, "UNIT_NAME_INVALID_CHARS", { enumerable: true, get: function () { return enums_1.UNIT_NAME_INVALID_CHARS; } });
|
|
47
|
+
Object.defineProperty(exports, "WORKFLOW_STATUSES", { enumerable: true, get: function () { return enums_1.WORKFLOW_STATUSES; } });
|
|
48
|
+
const Subworkflow_1 = __importDefault(require("./Subworkflow"));
|
|
49
|
+
exports.Subworkflow = Subworkflow_1.default;
|
|
50
|
+
const units_1 = require("./units");
|
|
51
|
+
Object.defineProperty(exports, "AssertionUnit", { enumerable: true, get: function () { return units_1.AssertionUnit; } });
|
|
52
|
+
Object.defineProperty(exports, "AssignmentUnit", { enumerable: true, get: function () { return units_1.AssignmentUnit; } });
|
|
53
|
+
Object.defineProperty(exports, "BaseUnit", { enumerable: true, get: function () { return units_1.BaseUnit; } });
|
|
54
|
+
Object.defineProperty(exports, "ConditionUnit", { enumerable: true, get: function () { return units_1.ConditionUnit; } });
|
|
55
|
+
Object.defineProperty(exports, "ExecutionUnit", { enumerable: true, get: function () { return units_1.ExecutionUnit; } });
|
|
56
|
+
Object.defineProperty(exports, "IOUnit", { enumerable: true, get: function () { return units_1.IOUnit; } });
|
|
57
|
+
Object.defineProperty(exports, "MapUnit", { enumerable: true, get: function () { return units_1.MapUnit; } });
|
|
58
|
+
Object.defineProperty(exports, "ReduceUnit", { enumerable: true, get: function () { return units_1.ReduceUnit; } });
|
|
59
|
+
Object.defineProperty(exports, "SubworkflowUnit", { enumerable: true, get: function () { return units_1.SubworkflowUnit; } });
|
|
60
|
+
const factory_1 = require("./units/factory");
|
|
61
|
+
Object.defineProperty(exports, "UnitFactory", { enumerable: true, get: function () { return factory_1.UnitFactory; } });
|
|
62
|
+
const MapUnit_1 = require("./units/MapUnit");
|
|
63
|
+
Object.defineProperty(exports, "defaultMapConfig", { enumerable: true, get: function () { return MapUnit_1.defaultMapConfig; } });
|
|
64
|
+
const utils = __importStar(require("./utils"));
|
|
65
|
+
exports.utils = utils;
|
|
66
|
+
const Workflow_1 = __importDefault(require("./Workflow"));
|
|
67
|
+
exports.Workflow = Workflow_1.default;
|
|
@@ -0,0 +1,20 @@
|
|
|
1
|
+
import type { Constructor } from "@mat3ra/code/dist/js/utils/types";
|
|
2
|
+
import type { AnyObject } from "@mat3ra/esse/dist/js/esse/types";
|
|
3
|
+
import type { AssertionUnitSchema } from "@mat3ra/esse/dist/js/types";
|
|
4
|
+
import { type AssertionUnitSchemaMixin } from "../generated/AssertionUnitSchemaMixin";
|
|
5
|
+
import BaseUnit from "./BaseUnit";
|
|
6
|
+
type Schema = AssertionUnitSchema;
|
|
7
|
+
type Base = typeof BaseUnit<Schema> & Constructor<AssertionUnitSchemaMixin>;
|
|
8
|
+
export type AssertionUnitConfig = Partial<Schema>;
|
|
9
|
+
declare const AssertionUnit_base: Base;
|
|
10
|
+
declare class AssertionUnit extends AssertionUnit_base implements Schema {
|
|
11
|
+
toJSON: () => Schema & AnyObject;
|
|
12
|
+
_json: Schema & AnyObject;
|
|
13
|
+
static get jsonSchema(): import("json-schema").JSONSchema7 | undefined;
|
|
14
|
+
constructor(config: AssertionUnitConfig);
|
|
15
|
+
getHashObject(): {
|
|
16
|
+
statement: string;
|
|
17
|
+
errorMessage: string | undefined;
|
|
18
|
+
};
|
|
19
|
+
}
|
|
20
|
+
export default AssertionUnit;
|
|
@@ -0,0 +1,33 @@
|
|
|
1
|
+
"use strict";
|
|
2
|
+
var __importDefault = (this && this.__importDefault) || function (mod) {
|
|
3
|
+
return (mod && mod.__esModule) ? mod : { "default": mod };
|
|
4
|
+
};
|
|
5
|
+
Object.defineProperty(exports, "__esModule", { value: true });
|
|
6
|
+
const JSONSchemasInterface_1 = __importDefault(require("@mat3ra/esse/dist/js/esse/JSONSchemasInterface"));
|
|
7
|
+
const enums_1 = require("../enums");
|
|
8
|
+
const AssertionUnitSchemaMixin_1 = require("../generated/AssertionUnitSchemaMixin");
|
|
9
|
+
const BaseUnit_1 = __importDefault(require("./BaseUnit"));
|
|
10
|
+
class AssertionUnit extends BaseUnit_1.default {
|
|
11
|
+
static get jsonSchema() {
|
|
12
|
+
return JSONSchemasInterface_1.default.getSchemaById("workflow/unit/assertion");
|
|
13
|
+
}
|
|
14
|
+
constructor(config) {
|
|
15
|
+
const schema = {
|
|
16
|
+
name: enums_1.UnitType.assertion,
|
|
17
|
+
results: [],
|
|
18
|
+
preProcessors: [],
|
|
19
|
+
postProcessors: [],
|
|
20
|
+
monitors: [],
|
|
21
|
+
statement: "true",
|
|
22
|
+
errorMessage: "assertion failed",
|
|
23
|
+
...config,
|
|
24
|
+
type: enums_1.UnitType.assertion,
|
|
25
|
+
};
|
|
26
|
+
super(schema);
|
|
27
|
+
}
|
|
28
|
+
getHashObject() {
|
|
29
|
+
return { statement: this.statement, errorMessage: this.errorMessage };
|
|
30
|
+
}
|
|
31
|
+
}
|
|
32
|
+
(0, AssertionUnitSchemaMixin_1.assertionUnitSchemaMixin)(AssertionUnit.prototype);
|
|
33
|
+
exports.default = AssertionUnit;
|
|
@@ -0,0 +1,17 @@
|
|
|
1
|
+
import type { Constructor } from "@mat3ra/code/dist/js/utils/types";
|
|
2
|
+
import type { AnyObject } from "@mat3ra/esse/dist/js/esse/types";
|
|
3
|
+
import type { AssignmentUnitSchema } from "@mat3ra/esse/dist/js/types";
|
|
4
|
+
import { type AssignmentUnitSchemaMixin } from "../generated/AssignmentUnitSchemaMixin";
|
|
5
|
+
import BaseUnit from "./BaseUnit";
|
|
6
|
+
type Schema = AssignmentUnitSchema;
|
|
7
|
+
type Base = typeof BaseUnit<Schema> & Constructor<AssignmentUnitSchemaMixin>;
|
|
8
|
+
export type AssignmentUnitConfig = Partial<Schema>;
|
|
9
|
+
declare const AssignmentUnit_base: Base;
|
|
10
|
+
declare class AssignmentUnit extends AssignmentUnit_base implements Schema {
|
|
11
|
+
toJSON: () => Schema & AnyObject;
|
|
12
|
+
_json: Schema & AnyObject;
|
|
13
|
+
static get jsonSchema(): import("json-schema").JSONSchema7 | undefined;
|
|
14
|
+
constructor(config: AssignmentUnitConfig);
|
|
15
|
+
getHashObject(): object;
|
|
16
|
+
}
|
|
17
|
+
export default AssignmentUnit;
|
|
@@ -0,0 +1,35 @@
|
|
|
1
|
+
"use strict";
|
|
2
|
+
var __importDefault = (this && this.__importDefault) || function (mod) {
|
|
3
|
+
return (mod && mod.__esModule) ? mod : { "default": mod };
|
|
4
|
+
};
|
|
5
|
+
Object.defineProperty(exports, "__esModule", { value: true });
|
|
6
|
+
const JSONSchemasInterface_1 = __importDefault(require("@mat3ra/esse/dist/js/esse/JSONSchemasInterface"));
|
|
7
|
+
const enums_1 = require("../enums");
|
|
8
|
+
const AssignmentUnitSchemaMixin_1 = require("../generated/AssignmentUnitSchemaMixin");
|
|
9
|
+
const BaseUnit_1 = __importDefault(require("./BaseUnit"));
|
|
10
|
+
class AssignmentUnit extends BaseUnit_1.default {
|
|
11
|
+
static get jsonSchema() {
|
|
12
|
+
return JSONSchemasInterface_1.default.getSchemaById("workflow/unit/assignment");
|
|
13
|
+
}
|
|
14
|
+
constructor(config) {
|
|
15
|
+
var _a;
|
|
16
|
+
const schema = {
|
|
17
|
+
input: [],
|
|
18
|
+
results: [],
|
|
19
|
+
preProcessors: [],
|
|
20
|
+
postProcessors: [],
|
|
21
|
+
monitors: [],
|
|
22
|
+
operand: "X",
|
|
23
|
+
value: "1",
|
|
24
|
+
...config,
|
|
25
|
+
name: (_a = config.name) !== null && _a !== void 0 ? _a : enums_1.UnitType.assignment,
|
|
26
|
+
type: enums_1.UnitType.assignment,
|
|
27
|
+
};
|
|
28
|
+
super(schema);
|
|
29
|
+
}
|
|
30
|
+
getHashObject() {
|
|
31
|
+
return { input: this.input, operand: this.operand, value: this.value };
|
|
32
|
+
}
|
|
33
|
+
}
|
|
34
|
+
(0, AssignmentUnitSchemaMixin_1.assignmentUnitSchemaMixin)(AssignmentUnit.prototype);
|
|
35
|
+
exports.default = AssignmentUnit;
|