Slot: activity_designator
Internal type designator for CatalysisDataGeneratingActivity subclasses
(Synthesis, Characterization, Simulation). Only needs to be set by hand
when nesting one of these inside another object's was_generated_by list
(e.g. in a combined CatalysisDataset file) -- LinkML fills it in
automatically when a class is instantiated directly.
URI: rdf:type Alias: activity_designator
Applicable Classes
| Name | Description | Modifies Slot |
|---|---|---|
| Simulation | A DataGeneratingActivity in which a catalyst, catalytic material, or catalytic process is modelled computationally. The simulation software is linked via carried_out_by as a Software agent. The simulation method (protocol) is linked via realized_plan using a SimulationMethod instance. The catalyst model or reaction being simulated is linked via evaluated_entity or evaluated_activity. The specific simulation type is expressed via rdf_type (e.g. coremeta4cat:DFT, NCIT:C18097 for molecular dynamics), following DCAT-AP-PLUS Pattern 3. |
no |
| CatalysisDataGeneratingActivity | A CoreMeta4Cat specialization of DCAT-AP-PLUS's DataGeneratingActivity that adds a type designator (activity_designator). Synthesis, Characterization, and Simulation all specialize this class instead of DataGeneratingActivity directly, so that when one of them is nested inside CatalysisDataset.was_generated_by, the LinkML Python loader can tell which concrete subclass a given entry is meant to be and keep its subclass-specific fields (e.g. Characterization.realized_plan) rather than falling back to DataGeneratingActivity's own generic slot definitions. activity_designator is filled in automatically by LinkML when a class is instantiated directly (e.g. loading a standalone Synthesis-NNN.yaml file) -- it does not need to be set by hand there. It only needs to be set explicitly in the source data when a Synthesis/Characterization/ Simulation instance is nested inside another object's was_generated_by list (e.g. in a combined CatalysisDataset file), so the loader knows which of the three to construct. |
no |
| Synthesis | A DataGeneratingActivity in which a catalyst is prepared. The preparation protocol is linked via realized_plan using a PreparationMethod instance. Input materials (Precursors) are linked via had_input_entity. The resulting catalyst (CatalystSample) is linked via had_output_entity. The type of synthesis is further specified via rdf_type using an ontology term (e.g. a VOC4CAT preparation method term), following DCAT-AP-PLUS Pattern 3. |
no |
| Characterization | A DataGeneratingActivity in which a catalyst sample or catalytic material is characterized using an analytical technique. The catalyst sample being characterized is linked via evaluated_entity. The analytical protocol is linked via realized_plan using a CharacterizationTechnique instance. The instrument used is linked via carried_out_by as a Device. The specific technique type is expressed via rdf_type using an ontology term (e.g. CHMO:0000158 for powder XRD, CHMO:0000404 for XPS), following DCAT-AP-PLUS Pattern 3 — exactly as NMRSpectroscopy uses rdf_type: CHMO:0000613. |
no |
Properties
- Range: String
Identifier and Mapping Information
Schema Source
- from schema: https://w3id.org/nfdi4cat/coremeta4cat
Mappings
| Mapping Type | Mapped Value |
|---|---|
| self | rdf:type |
| native | coremeta4cat:activity_designator |
LinkML Source
name: activity_designator
description: 'Internal type designator for CatalysisDataGeneratingActivity subclasses
(Synthesis, Characterization, Simulation). Only needs to be set by hand
when nesting one of these inside another object''s was_generated_by list
(e.g. in a combined CatalysisDataset file) -- LinkML fills it in
automatically when a class is instantiated directly.'
from_schema: https://w3id.org/nfdi4cat/coremeta4cat
rank: 1000
slot_uri: rdf:type
designates_type: true
alias: activity_designator
domain_of:
- CatalysisDataGeneratingActivity
range: string