Reorg

sentier_vocab/custom_products.py

@@ -1,6 +1,6 @@
 from rdflib import Graph, Namespace, URIRef
 from sentier_vocab.graph_base import GraphBase
-from sentier_vocab.data.custom_products import CUSTOM_PRODUCTS_DATA
+from sentier_vocab.data.input.custom_products import CUSTOM_PRODUCTS_DATA
 from rdflib.namespace import RDFS, SKOS, RDF
 import skosify
 from loguru import logger

sentier_vocab/graph_base.py

@@ -5,7 +5,7 @@
 
 from sentier_vocab.utils import DEFAULT_DATA_DIR, GithubZipfileRelease
 
-vocab_data_dir = Path(__file__).parent / "data"
+vocab_data_dir = Path(__file__).parent / "output"
 
 
 class GraphBase:

sentier_vocab/data/custom_products.py → sentier_vocab/input/custom_products.py

@@ -104,4 +104,57 @@
         SKOS.related,
         URIRef("https://en.wikipedia.org/wiki/Solid_oxide_electrolyzer_cell")
     ),
+    # Missing from Combined Nomenclature
+    # tetraflouroethylene, not poly-
+    (
+        URIRef(PRODUCTS + "tetrafluoroethylene"),
+        RDF.type,
+        SKOS.Concept
+    ),
+    (
+        URIRef(PRODUCTS + "tetrafluoroethylene"),
+        SKOS.broader,
+        URIRef("http://data.europa.eu/xsp/cn2024/290349000080")
+    ),
+    (
+        URIRef(PRODUCTS + "tetrafluoroethylene"),
+        SKOS.prefLabel,
+        Literal("Tetrafluoroethylene", lang="en")
+    ),
+    (
+        URIRef(PRODUCTS + "tetrafluoroethylene"),
+        SKOS.related,
+        URIRef("https://en.wikipedia.org/wiki/Tetrafluoroethylene")
+    ),
+    (
+        URIRef(PRODUCTS + "tetrafluoroethylene"),
+        SKOS.definition,
+        Literal("Tetrafluoroethylene (TFE) is a fluorocarbon with the chemical formula C2F4. It is the simplest perfluorinated alkene. This gaseous species is used primarily in the industrial preparation of fluoropolymers (from Wikipedia)", lang="en")
+    ),
+    # Zeolite
+    (
+        URIRef(PRODUCTS + "zeolite"),
+        RDF.type,
+        SKOS.Concept
+    ),
+    (
+        URIRef(PRODUCTS + "zeolite"),
+        SKOS.broader,
+        URIRef("http://data.europa.eu/xsp/cn2024/382400000080")
+    ),
+    (
+        URIRef(PRODUCTS + "zeolite"),
+        SKOS.prefLabel,
+        Literal("Zeolite", lang="en")
+    ),
+    (
+        URIRef(PRODUCTS + "zeolite"),
+        SKOS.related,
+        URIRef("https://en.wikipedia.org/wiki/Zeolite")
+    ),
+    (
+        URIRef(PRODUCTS + "zeolite"),
+        SKOS.definition,
+        Literal("Zeolite is a family of several microporous, crystalline aluminosilicate materials commonly used as commercial adsorbents and catalysts (from Wikipedia)", lang="en")
+    ),
 ]

sentier_vocab/data/model-terms.ttl → sentier_vocab/input/model-terms.ttl

@@ -64,6 +64,13 @@
     qudt:hasQuantityKind <https://vocab.sentier.dev/units/quantity-kind/Time> ;
     skos:definition "Product lifetime is the time interval from when a product is sold to when it is discarded."@en .
 
+<https://vocab.sentier.dev/model-terms/electrolyser/capacity_factor> a skos:Concept ;
+    skos:inScheme <https://vocab.sentier.dev/model-terms/generic> ;
+    skos:related <https://en.wikipedia.org/wiki/Capacity_factor> ;
+    skos:prefLabel "Capacity factor"@en ;
+    qudt:hasQuantityKind <https://vocab.sentier.dev/units/unit/FRACTION> ;
+    skos:definition "Ratio of actual output to potential output considering availability constraints."@en .
+
 # Energy production and consumption
 
 <https://vocab.sentier.dev/model-terms/energy> a skos:ConceptScheme ;
@@ -171,6 +178,21 @@
     qudt:hasQuantityKind <https://vocab.sentier.dev/units/quantity-kind/Temperature> ;
     skos:definition "The maximum allowed temperature in the immediate environment of the electrolyser for successful operation"@en .
 
+<https://vocab.sentier.dev/model-terms/electrolyser/stack> a skos:Concept ;
+    skos:broader <https://vocab.sentier.dev/products/electrolyzer> ;
+    skos:inScheme <https://vocab.sentier.dev/model-terms/electrolyzer> ;
+    skos:prefLabel "Stack (electrolyser)"@en-GB ;
+    skos:prefLabel "Stack (electrolyzer)"@en-US ;
+    qudt:hasQuantityKind <https://vocab.sentier.dev/units/quantity-kind/Power> ;
+    skos:definition "Multiple electrolysis cells connected together form the electrolyser stack"@en .
+
+<https://vocab.sentier.dev/model-terms/electrolyser/balance_of_plant> a skos:Concept ;
+    skos:broader <https://vocab.sentier.dev/products/electrolyzer> ;
+    skos:inScheme <https://vocab.sentier.dev/model-terms/electrolyzer> ;
+    skos:prefLabel "Balance of Plant"@en ;
+    qudt:hasQuantityKind <https://vocab.sentier.dev/units/quantity-kind/Power> ;
+    skos:definition "The other components of an electrolyser other than the stack. Usually less costly and has a longer lifetime."@en .
+
 <https://vocab.sentier.dev/model-terms/electrolyser/min_stack_temp> a skos:Concept ;
     skos:inScheme <https://vocab.sentier.dev/model-terms/electrolyzer> ;
     skos:prefLabel "Minimum stack temperature"@en ;

sentier_vocab/model_terms.py

@@ -4,7 +4,7 @@
 from loguru import logger
 from rdflib import Graph
 
-filepath = Path(__file__).parent / "data" / "model-terms.ttl"
+filepath = Path(__file__).parent / "input" / "model-terms.ttl"
 
 
 def ModelTerms():
@@ -15,7 +15,7 @@ def ModelTerms():
     skosify.infer.skos_hierarchical(graph, narrower=True)
     skosify.infer.skos_transitive(graph, narrower=True)
 
-    output_path = filepath.with_suffix(".reciprocal.ttl")
+    output_path = Path(__file__).parent / "output" / "model-terms.reciprocal.ttl"
     logger.info("Writing output TTL file {}", output_path)
     graph.serialize(destination=output_path)
     return filepath.with_suffix(".ttl")

sentier_vocab/data/custom-products.ttl → sentier_vocab/output/custom-products.ttl

@@ -1,5 +1,25 @@
 @prefix skos: <http://www.w3.org/2004/02/skos/core#> .
 
+<http://data.europa.eu/xsp/cn2024/290349000080> skos:narrower <https://vocab.sentier.dev/products/tetrafluoroethylene> ;
+    skos:narrowerTransitive <https://vocab.sentier.dev/products/tetrafluoroethylene> .
+
+<http://data.europa.eu/xsp/cn2024/382400000080> skos:narrower <https://vocab.sentier.dev/products/zeolite> ;
+    skos:narrowerTransitive <https://vocab.sentier.dev/products/zeolite> .
+
+<https://vocab.sentier.dev/products/tetrafluoroethylene> a skos:Concept ;
+    skos:broader <http://data.europa.eu/xsp/cn2024/290349000080> ;
+    skos:broaderTransitive <http://data.europa.eu/xsp/cn2024/290349000080> ;
+    skos:definition "Tetrafluoroethylene (TFE) is a fluorocarbon with the chemical formula C2F4. It is the simplest perfluorinated alkene. This gaseous species is used primarily in the industrial preparation of fluoropolymers (from Wikipedia)"@en ;
+    skos:prefLabel "Tetrafluoroethylene"@en ;
+    skos:related <https://en.wikipedia.org/wiki/Tetrafluoroethylene> .
+
+<https://vocab.sentier.dev/products/zeolite> a skos:Concept ;
+    skos:broader <http://data.europa.eu/xsp/cn2024/382400000080> ;
+    skos:broaderTransitive <http://data.europa.eu/xsp/cn2024/382400000080> ;
+    skos:definition "Zeolite is a family of several microporous, crystalline aluminosilicate materials commonly used as commercial adsorbents and catalysts (from Wikipedia)"@en ;
+    skos:prefLabel "Zeolite"@en ;
+    skos:related <https://en.wikipedia.org/wiki/Zeolite> .
+
 <https://vocab.sentier.dev/products/aec-electrolyzer> a skos:Concept ;
     skos:broader <https://vocab.sentier.dev/products/electrolyzer> ;
     skos:broaderTransitive <http://data.europa.eu/xsp/cn2024/854330700080>,

sentier_vocab/data/model-terms.reciprocal.ttl → sentier_vocab/output/model-terms.reciprocal.ttl

@@ -3,6 +3,13 @@
 @prefix skos: <http://www.w3.org/2004/02/skos/core#> .
 @prefix xsd: <http://www.w3.org/2001/XMLSchema#> .
 
+<https://vocab.sentier.dev/model-terms/electrolyser/capacity_factor> a skos:Concept ;
+    qudt:hasQuantityKind <https://vocab.sentier.dev/units/unit/FRACTION> ;
+    skos:definition "Ratio of actual output to potential output considering availability constraints."@en ;
+    skos:inScheme <https://vocab.sentier.dev/model-terms/generic> ;
+    skos:prefLabel "Capacity factor"@en ;
+    skos:related <https://en.wikipedia.org/wiki/Capacity_factor> .
+
 <https://vocab.sentier.dev/model-terms/electrolyser/h2_pressure> a skos:Concept ;
     qudt:hasQuantityKind <https://vocab.sentier.dev/units/quantity-kind/Pressure> ;
     skos:definition "The pressure of the hydrogen produced by the electrolyser."@en ;
@@ -141,6 +148,23 @@
     skos:prefLabel "Electrolyser terms"@en-GB,
         "Electrolyzer terms"@en-US .
 
+<https://vocab.sentier.dev/model-terms/electrolyser/balance_of_plant> a skos:Concept ;
+    qudt:hasQuantityKind <https://vocab.sentier.dev/units/quantity-kind/Power> ;
+    skos:broader <https://vocab.sentier.dev/products/electrolyzer> ;
+    skos:broaderTransitive <https://vocab.sentier.dev/products/electrolyzer> ;
+    skos:definition "The other components of an electrolyser other than the stack. Usually less costly and has a longer lifetime."@en ;
+    skos:inScheme <https://vocab.sentier.dev/model-terms/electrolyzer> ;
+    skos:prefLabel "Balance of Plant"@en .
+
+<https://vocab.sentier.dev/model-terms/electrolyser/stack> a skos:Concept ;
+    qudt:hasQuantityKind <https://vocab.sentier.dev/units/quantity-kind/Power> ;
+    skos:broader <https://vocab.sentier.dev/products/electrolyzer> ;
+    skos:broaderTransitive <https://vocab.sentier.dev/products/electrolyzer> ;
+    skos:definition "Multiple electrolysis cells connected together form the electrolyser stack"@en ;
+    skos:inScheme <https://vocab.sentier.dev/model-terms/electrolyzer> ;
+    skos:prefLabel "Stack (electrolyser)"@en-GB,
+        "Stack (electrolyzer)"@en-US .
+
 <https://vocab.sentier.dev/model-terms/energy/elec_energy_serv_dem> a skos:Concept ;
     skos:broader <http://openenergy-platform.org/ontology/oeo/OEO_00240024> ;
     skos:broaderTransitive <http://openenergy-platform.org/ontology/oeo/OEO_00240024> ;
@@ -194,6 +218,11 @@
         <https://vocab.sentier.dev/model-terms/energy/therm_energy_serv_dem> ;
     skos:prefLabel "energy service demand"@en .
 
+<https://vocab.sentier.dev/products/electrolyzer> skos:narrower <https://vocab.sentier.dev/model-terms/electrolyser/balance_of_plant>,
+        <https://vocab.sentier.dev/model-terms/electrolyser/stack> ;
+    skos:narrowerTransitive <https://vocab.sentier.dev/model-terms/electrolyser/balance_of_plant>,
+        <https://vocab.sentier.dev/model-terms/electrolyser/stack> .
+
 <https://vocab.sentier.dev/model-terms/generic> a skos:ConceptScheme ;
     dcterms:contributor "Chris Mutel" ;
     dcterms:created "2024-10-07"^^xsd:date ;

sentier_vocab/qudt.py

@@ -19,7 +19,7 @@
 QK = QUDTV.quantitykind
 
 
-vocab_data_dir = Path(__file__).parent / "data"
+vocab_data_dir = Path(__file__).parent / "input"
 selected_fp = vocab_data_dir / "selected-quantity-kinds.json"
 extra_concepts_data = vocab_data_dir / "extra-data.ttl"
 qudt_patches_data = vocab_data_dir / "qudt-patches.ttl"
@@ -79,7 +79,7 @@ def write_graph(
         if not filename.endswith(".ttl"):
             filename += ".ttl"
         if not dirpath:
-            dirpath = vocab_data_dir
+            dirpath = Path(__file__).parent / "output"
         output_fp = Path(dirpath) / filename
         self.graph.serialize(destination=output_fp)
         return output_fp
@@ -338,5 +338,43 @@ def add_unit(self, uri: URIRef, unit_graph: Graph, cs: URIRef, qudt_uri: URIRef)
                 pass
 
 
+def add_quantity_kinds_to_graph(
+    input_ttl: Path,
+    qudt_ttl: Path,
+) -> Path:
+    """
+    The `input_ttl` concept scheme was written by hand (!), but we can make it more useful by
+    positioning each input concept in the QUDT quantity kind hierarchy.
+    """
+    output_ttl = input_ttl.with_suffix(".supplemented" + input_ttl.suffix)
+    input_graph = Graph().parse(input_ttl)
+    qudt = Graph().parse(qudt_ttl)
+
+    qudt_qk_mapping = {
+        s: o
+        for s, v, o in qudt.triples((None, QUDTS.hasQuantityKind, None))
+        if o.startswith("https://vocab.sentier.dev/units/quantity-kind/")
+        and s.startswith("https://vocab.sentier.dev/units/unit/")
+    }
+    qudt_d_mapping = {
+        s: o
+        for s, v, o in qudt.triples((None, QUDTS.hasDimensionVector, None))
+        if o.startswith("http://qudt.org/vocab/dimensionvector/")
+        and s.startswith("https://vocab.sentier.dev/units/unit/")
+    }
+
+    for s, v, o in input_graph.triples((None, SKOS.exactMatch, None)):
+        if o.startswith("https://vocab.sentier.dev/units/unit/"):
+            input_graph.add((s, QUDTS.hasQuantityKind, qudt_qk_mapping[o]))
+            input_graph.add((s, QUDTS.hasDimensionVector, qudt_d_mapping[o]))
+
+    input_graph.serialize(destination=output_ttl)
+    return output_ttl
+
+
 if __name__ == "__main__":
     QUDT().write_graph()
+    add_quantity_kinds_to_graph(
+        Path(__file__).parent / "input" / "simapro.ttl",
+        Path(__file__).parent / "output" / "qudt-sentier-dev.ttl"
+    )