Skip to content
Open
Show file tree
Hide file tree
Changes from all commits
Commits
File filter

Filter by extension

Filter by extension

Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
17 changes: 8 additions & 9 deletions src/chem_dcat_ap/schema/chem_dcat_ap.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -11,8 +11,8 @@ see_also:
- https://github.com/HendrikBorgelt/DCAT-ap_as_LinkML_template/blob/main/src/dcatlinkml/schema/dcatlinkml.yaml
- https://gitlab.com/opensourcelab/scientificdata/scidats/-/blob/feature/linkml-schemata/schemata/metadata_model_scidats_dcat_ap.yaml?ref_type=heads
prefixes:
chemdcatap: https://w3id.org/nfdi-de/dcat-ap-plus/chemistry/
dcatapplus: https://w3id.org/nfdi-de/dcat-ap-plus/
chem_dcat_ap: https://w3id.org/nfdi-de/dcat-ap-plus/chemistry/
dcat_ap_plus: https://w3id.org/nfdi-de/dcat-ap-plus/
linkml: https://w3id.org/linkml/
biolink: https://w3id.org/biolink/vocab/
schema: http://schema.org/
Expand Down Expand Up @@ -40,25 +40,24 @@ prefixes:
CHEMINF: http://semanticscience.org/resource/CHEMINF_
RXNO: http://purl.obolibrary.org/obo/RXNO_
MOP: http://purl.obolibrary.org/obo/MOP_
ex: http://example.org/
NCIT: http://purl.obolibrary.org/obo/NCIT_
SIO: http://semanticscience.org/resource/SIO_
doi: https://doi.org/
NMR: "http://nmrML.org/nmrCV#NMR:"
AFE: http://purl.allotrope.org/ontologies/equipment#AFE_
AFRL: http://purl.allotrope.org/ontologies/role#AFRL_
AFP: http://purl.allotrope.org/ontologies/process#AFP_
AFR: http://purl.allotrope.org/ontologies/result#AFR_
allotrope.equipment: http://purl.allotrope.org/ontologies/equipment#AFE_
allotrope.role: http://purl.allotrope.org/ontologies/role#AFRL_
allotrope.process: http://purl.allotrope.org/ontologies/process#AFP_
allotrope.result: http://purl.allotrope.org/ontologies/result#AFR_
VOC4CAT: https://w3id.org/nfdi4cat/voc4cat_
PROCO: http://purl.obolibrary.org/obo/PROCO_
time: http://www.w3.org/2006/time#
REX: http://purl.obolibrary.org/obo/REX_
ENVO: http://purl.obolibrary.org/obo/ENVO_
default_prefix: chemdcatap
default_prefix: chem_dcat_ap
default_range: string
imports:
- linkml:types
- dcatapplus:latest/schema/dcat_ap_plus
- dcat_ap_plus:latest/schema/dcat_ap_plus
- chemical_entities_ap
- chemical_reaction_ap

Expand Down
17 changes: 8 additions & 9 deletions src/chem_dcat_ap/schema/chemical_entities_ap.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -7,7 +7,7 @@ description: |-
license: CC-BY 4.0
prefixes:
chemical_entities_ap: https://w3id.org/nfdi-de/dcat-ap-plus/chemistry/entity/
chemdcatap: https://w3id.org/nfdi-de/dcat-ap-plus/chemistry/
chem_dcat_ap: https://w3id.org/nfdi-de/dcat-ap-plus/chemistry/
linkml: https://w3id.org/linkml/
biolink: https://w3id.org/biolink/vocab/
schema: http://schema.org/
Expand All @@ -22,14 +22,13 @@ prefixes:
OBI: http://purl.obolibrary.org/obo/OBI_
IAO: http://purl.obolibrary.org/obo/IAO_
BFO: http://purl.obolibrary.org/obo/BFO_
ex: http://example.org/
SIO: http://semanticscience.org/resource/SIO_
doi: https://doi.org/
AFE: http://purl.allotrope.org/ontologies/equipment#AFE_
AFRL: http://purl.allotrope.org/ontologies/role#AFRL_
AFP: http://purl.allotrope.org/ontologies/process#AFP_
allotrope.equipment: http://purl.allotrope.org/ontologies/equipment#AFE_
allotrope.role: http://purl.allotrope.org/ontologies/role#AFRL_
allotrope.process: http://purl.allotrope.org/ontologies/process#AFP_
AFX: http://purl.allotrope.org/ontologies/property#AFX_
AFR: http://purl.allotrope.org/ontologies/result#AFR_
allotrope.result: http://purl.allotrope.org/ontologies/result#AFR_
CHEBI: http://purl.obolibrary.org/obo/CHEBI_
VOC4CAT: https://w3id.org/nfdi4cat/voc4cat_
EDAM: http://edamontology.org/data_
Expand Down Expand Up @@ -98,7 +97,7 @@ classes:
# QuantitativeAttributes #
#########################
MolarMass:
class_uri: AFR:0002409
class_uri: allotrope.result:0002409
is_a: Mass
description: A Mass (physical quality) that quantifies the mass of a homogeneous ChemicalSubstance containing 6.02 x 10^23 atoms or molecules.
close_mappings:
Expand All @@ -111,7 +110,7 @@ classes:
- EDAM:2140
- NCIT:C41185
- VOC4CAT:0007244
- AFR:0002036
- allotrope.result:0002036
narrow_mappings:
- CHMO:0002822
close_mappings:
Expand All @@ -137,7 +136,7 @@ classes:
class_uri: SIO:001089
exact_mappings:
- NCIT:C45997
- AFR:0001142
- allotrope.result:0001142
close_mappings:
- PATO:0001842
#slot_usage:
Expand Down
16 changes: 8 additions & 8 deletions src/chem_dcat_ap/schema/chemical_reaction_ap.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -7,8 +7,8 @@ description: |-
license: CC-BY 4.0
prefixes:
chemical_reaction_ap: https://w3id.org/nfdi-de/dcat-ap-plus/chemistry/reaction/
chemdcatap: https://w3id.org/nfdi-de/dcat-ap-plus/chemistry/
dcatapplus: https://w3id.org/nfdi-de/dcat-ap-plus/
chem_dcat_ap: https://w3id.org/nfdi-de/dcat-ap-plus/chemistry/
dcat_ap_plus: https://w3id.org/nfdi-de/dcat-ap-plus/
linkml: https://w3id.org/linkml/
biolink: https://w3id.org/biolink/vocab/
schema: http://schema.org/
Expand Down Expand Up @@ -40,9 +40,9 @@ prefixes:
SIO: http://semanticscience.org/resource/SIO_
doi: https://doi.org/
NMR: "http://nmrML.org/nmrCV#NMR:"
AFE: http://purl.allotrope.org/ontologies/equipment#AFE_
AFRL: http://purl.allotrope.org/ontologies/role#AFRL_
AFP: http://purl.allotrope.org/ontologies/process#AFP_
allotrope.equipment: http://purl.allotrope.org/ontologies/equipment#AFE_
allotrope.role: http://purl.allotrope.org/ontologies/role#AFRL_
allotrope.process: http://purl.allotrope.org/ontologies/process#AFP_
VOC4CAT: https://w3id.org/nfdi4cat/voc4cat_
PROCO: http://purl.obolibrary.org/obo/PROCO_
time: http://www.w3.org/2006/time#
Expand All @@ -52,7 +52,7 @@ default_prefix: chemical_reaction_ap
default_range: string
imports:
- linkml:types
- dcatapplus:latest/schema/dcat_ap_plus
- dcat_ap_plus:latest/schema/dcat_ap_plus
- chemical_entities_ap

classes:
Expand Down Expand Up @@ -89,7 +89,7 @@ classes:
exact_mappings:
- MOP:0000543
- REX:0000002
- AFP:0003711
- allotrope.process:0003711
narrow_mappings:
- RXNO:0000329

Expand Down Expand Up @@ -158,7 +158,7 @@ classes:

Reactor:
is_a: Device
class_uri: AFE:0000153
class_uri: allotrope.equipment:0000153
mixins:
- MaterialisticMixin
description: A reactor is a container for controlling a biological or chemical reaction or process.
Expand Down
11 changes: 5 additions & 6 deletions src/chem_dcat_ap/schema/material_entities_ap.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -7,7 +7,7 @@ description: |-
license: CC-BY 4.0
prefixes:
material_entities_ap: https://w3id.org/nfdi-de/dcat-ap-plus/materials/
dcatapplus: https://w3id.org/nfdi-de/dcat-ap-plus/
dcat_ap_plus: https://w3id.org/nfdi-de/dcat-ap-plus/
linkml: https://w3id.org/linkml/
biolink: https://w3id.org/biolink/vocab/
schema: http://schema.org/
Expand All @@ -22,18 +22,17 @@ prefixes:
OBI: http://purl.obolibrary.org/obo/OBI_
IAO: http://purl.obolibrary.org/obo/IAO_
BFO: http://purl.obolibrary.org/obo/BFO_
ex: http://example.org/
SIO: http://semanticscience.org/resource/SIO_
doi: https://doi.org/
AFE: http://purl.allotrope.org/ontologies/equipment#AFE_
AFRL: http://purl.allotrope.org/ontologies/role#AFRL_
AFP: http://purl.allotrope.org/ontologies/process#AFP_
allotrope.equipment: http://purl.allotrope.org/ontologies/equipment#AFE_
allotrope.role: http://purl.allotrope.org/ontologies/role#AFRL_
allotrope.process: http://purl.allotrope.org/ontologies/process#AFP_
VOC4CAT: https://w3id.org/nfdi4cat/voc4cat_
default_prefix: material_entities_ap
default_range: string
imports:
- linkml:types
- dcatapplus:latest/schema/dcat_ap_plus
- dcat_ap_plus:latest/schema/dcat_ap_plus

classes:
MaterialisticMixin:
Expand Down
2 changes: 1 addition & 1 deletion tests/data/valid/ChemicalReaction-001.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -205,7 +205,7 @@ used_reactant:
- value: "Glacial"
title: "Grade/Purity"
rdf_type:
id: AFR:0002371
id: allotrope.result:0002371
title: "purity"
composed_of:
- id: https://pubchem.ncbi.nlm.nih.gov/compound/176
Expand Down
2 changes: 1 addition & 1 deletion tests/data/valid/ReactionMonitoringDataset-001.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -244,7 +244,7 @@ is_about_activity:
- value: "Glacial"
title: "Grade/Purity"
rdf_type:
id: AFR:0002371
id: allotrope.result:0002371
title: "purity"
composed_of:
- id: https://pubchem.ncbi.nlm.nih.gov/compound/176
Expand Down
Loading