add potential aso mappings

pyscal · Dec 6, 2023 · f6a9a2b · f6a9a2b
1 parent a8c14af
commit f6a9a2b
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Showing 2 changed files with 8 additions and 64 deletions.
diff --git a/pyscal_rdf/data/msmo.owl b/pyscal_rdf/data/msmo.owl
diff --git a/pyscal_rdf/network/ontology.py b/pyscal_rdf/network/ontology.py
@@ -10,11 +10,11 @@ def read_ontology():
 	cmso = OntologyNetwork(os.path.join(file_location,  'data/cmso.owl'))
 	pldo = OntologyNetwork(os.path.join(file_location,  'data/pldo.owl'))
 	podo = OntologyNetwork(os.path.join(file_location,  'data/podo.owl'))
-	msmo = OntologyNetwork(os.path.join(file_location,  'data/msmo.owl'))
+	#msmo = OntologyNetwork(os.path.join(file_location,  'data/msmo.owl'))
 
 	#combine them
-	combo = cmso + pldo + podo + msmo	
-	#combo = cmso + pldo + podo
+	#combo = cmso + pldo + podo + msmo	
+	combo = cmso + pldo + podo
 
 	#add namespaces
 	combo.add_namespace('prov', 'http://www.w3.org/ns/prov#')
@@ -33,17 +33,17 @@ def read_ontology():
 	combo.add_term('http://www.w3.org/1999/02/22-rdf-syntax-ns#type', 'object_property', delimiter='#', namespace='rdf')
 
 	#add paths
+	combo.add_path(('cmso:CrystalStructure', 'cmso:hasAltName', 'string'))
 	combo.add_path(('cmso:Material', 'cmso:hasDefect', 'pldo:PlanarDefect'))
 	combo.add_path(('cmso:Material', 'cmso:hasDefect', 'podo:Vacancy'))
 	combo.add_path(('cmso:SimulationCell', 'podo:hasVacancyConcentration', 'float'))
 	combo.add_path(('cmso:SimulationCell', 'podo:hasNumberOfVacancies', 'int'))
 	combo.add_path(('cmso:ComputationalSample', 'prov:wasDerivedFrom', 'cmso:ComputationalSample'))
-	combo.add_path(('cmso:ComputationalSample', 'prov:wasGeneratedBy', 'msmo:ComputationalMethod'))
-	combo.add_path(('msmo:ComputationalMethod', 'prov:wasAssociatedWith', 'prov:SoftwareAgent'))
 	combo.add_path(('cmso:ComputationalSample', 'rdf:type', 'prov:Entity'))
-	combo.add_path(('msmo:ComputationalMethod', 'rdf:type', 'prov:Activity'))
-	#for Alt Name, maybe this should not be here
-	combo.add_path(('cmso:CrystalStructure', 'cmso:hasAltName', 'string'))
+	#combo.add_path(('aso:StructureOptimization', 'rdf:type', 'prov:Activity'))	
+	#combo.add_path(('aso:StructureOptimization', 'prov:wasAssociatedWith', 'prov:SoftwareAgent'))
+	#combo.add_path(('cmso:ComputationalSample', 'prov:wasGeneratedBy', 'aso:StructureOptimization'))
+
 
 	#return
 	return combo