diff --git a/pandasaurus_cxg/anndata_analyzer.py b/pandasaurus_cxg/anndata_analyzer.py index d9a102d..47d111f 100644 --- a/pandasaurus_cxg/anndata_analyzer.py +++ b/pandasaurus_cxg/anndata_analyzer.py @@ -108,11 +108,12 @@ def co_annotation_report( """ # Call the core method to generate the full DataFrame full_df = self._generate_co_annotation_dataframe(disease, enrich) - # Return only the first 5 columns return full_df.iloc[:, :5] - def _generate_co_annotation_dataframe(self, disease: Optional[str] = None, enrich: bool = False): + def _generate_co_annotation_dataframe( + self, disease: Optional[str] = None, enrich: bool = False + ): """ Core method to generate a full co-annotation dataframe. @@ -171,7 +172,7 @@ def _generate_co_annotation_dataframe(self, disease: Optional[str] = None, enric for record in temp_result ] # unique_result = AnndataAnalyzer._remove_duplicates(result) - self.report_df = pd.DataFrame( + report_df = pd.DataFrame( [ inner_list[:2] + inner_list[5:6] @@ -190,6 +191,9 @@ def _generate_co_annotation_dataframe(self, disease: Optional[str] = None, enric "field_name2_cell_count", ], ) + self.report_df = report_df.sort_values( + ["field_name1", "value1", "predicate", "field_name2", "value2"] + ).reset_index(drop=True) return self.report_df def enriched_co_annotation_report(self, disease: Optional[str] = None): diff --git a/pandasaurus_cxg/graph_generator/graph_generator.py b/pandasaurus_cxg/graph_generator/graph_generator.py index ab9bee0..1f268f6 100644 --- a/pandasaurus_cxg/graph_generator/graph_generator.py +++ b/pandasaurus_cxg/graph_generator/graph_generator.py @@ -91,7 +91,42 @@ def generate_rdf_graph(self, merge: bool = False): """ if len(self.graph) != 0: return - # preprocess + + # generate dataset entity and has_source property + citation_dict = {} + uns = self.ea.enricher_manager.anndata.uns + if citation_field_name in uns.keys(): + citation_dict = parse_citation_field_into_dict(uns[citation_field_name]) + cxg_versioned_dataset_id = ( + citation_dict.get("download_link").split("/")[-1].split(".")[0] + ) + dataset_class = URIRef(get_cxg_dataset_url(cxg_versioned_dataset_id)) + else: + # if citation_field_name doesn't exist we use random uuid as cxg_versioned_dataset_id + cxg_versioned_dataset_id = str(uuid.uuid4()) + dataset_class = URIRef(self.ns[cxg_versioned_dataset_id]) + self.graph.add((dataset_class, RDF.type, URIRef(DATASET.get("iri")))) + self.graph.add((dataset_class, RDFS.label, Literal(DATASET.get("label")))) + for key, value in uns.items(): + if not isinstance(value, str): + continue + if key == citation_field_name: + for citation_key, citation_value in citation_dict.items(): + self.graph.add( + ( + dataset_class, + URIRef(self.ns[remove_special_characters(citation_key)]), + Literal(citation_value), + ) + ) + + self.graph.add( + (dataset_class, URIRef(self.ns[remove_special_characters(key)]), Literal(value)) + ) + has_source = URIRef(HAS_SOURCE["iri"]) + self.graph.add((has_source, RDFS.label, Literal(HAS_SOURCE["label"]))) + + # preprocess for cell clusters column_group = ["field_name1", "value1"] df = self.df.sort_values(by=column_group).reset_index(drop=True) grouped_df = df.groupby(column_group) @@ -124,38 +159,9 @@ def generate_rdf_graph(self, merge: bool = False): ) else temp_dict.update({key: value}) if temp_dict not in grouped_dict_uuid.values(): - grouped_dict_uuid[str(uuid.uuid4())] = temp_dict - - # generate dataset entity and has_source property - uns = self.ea.enricher_manager.anndata.uns - citation_dict = {} - if citation_field_name in uns.keys(): - citation_dict = parse_citation_field_into_dict(uns[citation_field_name]) - dataset_class = URIRef( - get_cxg_dataset_url(citation_dict.get("download_link").split("/")[-1].split(".")[0]) - ) - else: - dataset_class = URIRef(self.ns[str(uuid.uuid4())]) - self.graph.add((dataset_class, RDF.type, URIRef(DATASET.get("iri")))) - self.graph.add((dataset_class, RDFS.label, Literal(DATASET.get("label")))) - for key, value in uns.items(): - if not isinstance(value, str): - continue - if key == citation_field_name: - for citation_key, citation_value in citation_dict.items(): - self.graph.add( - ( - dataset_class, - URIRef(self.ns[remove_special_characters(citation_key)]), - Literal(citation_value), - ) - ) - - self.graph.add( - (dataset_class, URIRef(self.ns[remove_special_characters(key)]), Literal(value)) - ) - has_source = URIRef(HAS_SOURCE["iri"]) - self.graph.add((has_source, RDFS.label, Literal(HAS_SOURCE["label"]))) + grouped_dict_uuid[ + str(uuid.uuid5(uuid.UUID(cxg_versioned_dataset_id), str(temp_dict))) + ] = temp_dict # generate a resource for each free-text cell_type annotation and cell_type_ontology_term annotation cell_set_class = URIRef(CLUSTER.get("iri")) diff --git a/poetry.lock b/poetry.lock index 3dfe4fe..df10cd3 100644 --- a/poetry.lock +++ b/poetry.lock @@ -836,61 +836,61 @@ test = ["pytest"] [[package]] name = "fonttools" -version = "4.55.0" +version = "4.55.1" description = "Tools to 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@@ -1,6 +1,6 @@ [tool.poetry] name = "pandasaurus-cxg" -version = "0.2.2" +version = "0.2.3" description = "Ontology enrichment tool for CxG standard AnnData files." authors = ["Ugur Bayindir "] license = "http://www.apache.org/licenses/LICENSE-2.0" diff --git a/test/graph_generator/test_graph_generator.py b/test/graph_generator/test_graph_generator.py index 5fb9b01..98b068b 100644 --- a/test/graph_generator/test_graph_generator.py +++ b/test/graph_generator/test_graph_generator.py @@ -54,6 +54,107 @@ def graph_generator_instance_for_kidney(enrichment_analyzer_instance_for_kidney_ return GraphGenerator(ea) +@pytest.fixture() +def expected_stable_ids(): + return { + URIRef("http://example.org/6b8c6e7a-60e1-5272-bc96-6263fbcc5396"), + URIRef("http://example.org/6637426a-b650-5d93-abee-99e8e52e763e"), + URIRef("http://example.org/35a0d03d-7ce2-597e-8878-da67bb0b23b5"), + URIRef("http://example.org/026ea297-be37-54a4-933e-29279c5385f1"), + URIRef("http://example.org/d7d8ede3-841a-5b20-9cd3-d20a5aa4be63"), + URIRef("http://example.org/70d96be3-736b-58c9-b8d8-ab57a1535698"), + URIRef("http://example.org/040a09dc-9219-5812-8f0b-112935b0f21c"), + URIRef("http://example.org/f28734b4-1c97-54a1-890f-0086dacbd7a3"), + URIRef("http://example.org/61a31377-a156-538c-b24f-f0f4ec0c55bc"), + URIRef("http://example.org/e239d685-8130-5260-a1cc-cae8875b916e"), + URIRef("http://example.org/0e6fba5e-4d94-51ec-a413-7c4ff8b0192d"), + URIRef("http://example.org/febe1fce-f128-5214-9acc-c98b1dc032d0"), + URIRef("http://example.org/a584510c-57c1-5341-80c4-25e2357fb1cb"), + URIRef("http://example.org/4aedaf72-be05-57a4-ad83-357742650904"), + URIRef("http://example.org/910c088b-0f76-5440-b4af-4c5d1c575b6c"), + URIRef("http://example.org/db34b5c9-921d-52bc-8f09-3393784fdd76"), + URIRef("http://example.org/2e6aaf57-616b-5bc1-95e3-be985c9efddc"), + URIRef("http://example.org/74b615a3-ced3-5cc3-9b34-6805b84c80cc"), + URIRef("http://example.org/dd578556-05ed-59f6-b734-fb1bba5b3d67"), + URIRef("http://example.org/7ae9cc3e-c9d4-5072-bb23-73703abbd61f"), + URIRef("http://example.org/e215cbb5-ce0c-51b5-b146-06cac99d1d00"), + URIRef("http://example.org/2bb80824-e368-5127-a5b0-512f4b495c14"), + URIRef("http://example.org/38df699e-26e6-558f-a0c8-b6df9211adee"), + URIRef("http://example.org/df2bb7b4-7154-52e4-8c02-13e8b8b43250"), + URIRef("http://example.org/ffbacf1a-59f6-5aa2-bbf0-2327afa969a7"), + URIRef("http://example.org/443b83af-ae41-5879-94fe-de7093ece241"), + URIRef("http://example.org/85360cdc-6cff-52ac-b0bc-4b6f0b5fd5b3"), + URIRef("http://example.org/409cb2da-d9d5-52f9-b1c1-af5a08ea6295"), + URIRef("http://example.org/caf45aa6-2c7d-5ce4-9f46-2acb6c5a305f"), + URIRef("http://example.org/daafa670-cc22-56dc-8fb3-3fba2390a350"), + URIRef("http://example.org/b5687b1f-be71-5b31-914a-2070a129297b"), + URIRef("http://example.org/1c4a6bb0-63d7-5102-813a-0e6378244a34"), + URIRef("http://example.org/7ae5fcb4-5df8-5214-a150-2cfc6fa5c06c"), + URIRef("http://example.org/646ca9dd-ffc6-5fb7-859b-3bbac7dbbdca"), + URIRef("http://example.org/710ab24d-e2ed-56ee-855a-9ff086cb8a97"), + URIRef("http://example.org/2c20973f-10c8-5ca4-8623-64e38d98458e"), + URIRef("http://example.org/52e3fa21-f1ed-5ef7-b47e-5c4b875e18c2"), + URIRef("http://example.org/ab520336-e633-5c4e-8086-c7e4e281a3fc"), + URIRef("http://example.org/16b614ec-f0f1-5cc2-931d-2e8465b237ce"), + URIRef("http://example.org/1ed21fba-45d3-5b43-93c0-0f9b27490b00"), + URIRef("http://example.org/f1d3abc5-a927-5371-a3a2-61f35dc69ff2"), + URIRef("http://example.org/a8682c5b-f4f1-5baf-9a7a-5987bbd678b9"), + URIRef("http://example.org/f2ce8660-15be-5fbb-a53e-e43df111b5bf"), + URIRef("http://example.org/511e7f73-91f2-5067-9dd4-f76b6ca093c7"), + URIRef("http://example.org/943de3dd-3168-5e81-9e1a-298c1952ca31"), + URIRef("http://example.org/51aef30d-c8f7-5d17-abcd-2c5bd3ba8570"), + URIRef("http://example.org/0e116e68-2d16-56c3-9a38-43ae82834333"), + URIRef("http://example.org/9652d787-b02c-521a-9374-a46295cd47dc"), + URIRef("http://example.org/5bad5df9-d070-5403-a558-154b4e95168c"), + URIRef("http://example.org/72a14bbd-7dbf-5f08-8f5b-cb5e778b239c"), + URIRef("http://example.org/3f8e56f4-adde-564f-8274-b84df593873b"), + URIRef("http://example.org/2f73506d-024a-572a-a202-08cf6222e5c6"), + URIRef("http://example.org/9aaff9c9-a276-5260-bd7b-f570c4f4ac0a"), + URIRef("http://example.org/c667ad1d-82f9-5b21-8bae-539a9e6d85d1"), + URIRef("http://example.org/d549505a-3770-50f3-8af1-7f81035343a0"), + URIRef("http://example.org/b87d3e84-20a3-50b1-87e2-f2ef66c505ba"), + URIRef("http://example.org/ba2ee8d3-47a9-54c1-b14c-d1c92b905bb4"), + URIRef("http://example.org/c4e5e19b-3440-5453-ae53-ac9d12348784"), + URIRef("http://example.org/78914c73-b50b-5dd8-85f0-0af2b6584458"), + URIRef("http://example.org/2b302895-6be3-5953-be23-2e51015ae18e"), + URIRef("http://example.org/c99bfa83-ca47-58e6-9007-e984b17fc73d"), + URIRef("http://example.org/177d7178-f313-5cc6-a31c-7207893a4d9a"), + URIRef("http://example.org/c82e2caf-10c2-5ca2-822d-1c7e8fe60ac6"), + URIRef("http://example.org/57fccc58-dc4c-5c18-b846-35e4a464f31a"), + URIRef("http://example.org/3cf3e135-a988-52ac-aaae-bbf68ec3e059"), + URIRef("http://example.org/f6cbfed7-3643-5907-a772-142902cfbcc5"), + URIRef("http://example.org/2f7b8d0e-0fe0-5262-8218-2cee932617c4"), + URIRef("http://example.org/2a1a7dd5-2344-5553-8c35-3c4ea7541e60"), + URIRef("http://example.org/f598ef7d-b1c0-577d-9b73-7e9ae386d360"), + URIRef("http://example.org/f9fdf3a4-82d7-5252-a209-755e69f12d01"), + URIRef("http://example.org/07f0f2d0-3cf4-5a3a-8d05-dd9207a02a4d"), + URIRef("http://example.org/a0d7cd01-04b2-539c-b729-21bc12cb18db"), + URIRef("http://example.org/f472ede6-934f-5d16-a5ab-50fec5bea633"), + URIRef("http://example.org/f9a44ae3-3b9f-5ed2-aee4-efeeccc1621c"), + URIRef("http://example.org/fb25afeb-5c06-50c7-9334-577d898b800a"), + URIRef("http://example.org/5979f500-3479-5ffb-9f04-4ae819a5972e"), + URIRef("http://example.org/2a41fbaf-96f2-554f-b6ce-730279320ca6"), + URIRef("http://example.org/f7e68907-b939-522e-b180-93695ae29d7e"), + URIRef("http://example.org/4956d317-f11d-563e-91dc-2f582bd25ec4"), + URIRef("http://example.org/7c45b81c-590a-54ed-90e2-3ea74baee514"), + URIRef("http://example.org/c8cfedf2-9bfe-5c5f-a58f-b7d641d62005"), + URIRef("http://example.org/583af61e-9c09-5f34-b8aa-8dfd31845521"), + URIRef("http://example.org/bf6ce9ee-02d0-5c27-b2ab-99ec3b27b835"), + URIRef("http://example.org/a0a64307-92df-5f08-9a0f-65bafa0ac9cb"), + URIRef("http://example.org/c96bd95d-3274-582d-b306-26643f43920f"), + URIRef("http://example.org/e9c3bd54-68ff-5ff9-909e-24a347bc00c1"), + URIRef("http://example.org/fc9e7a46-3dd2-5abc-acbb-2803c1b0cee2"), + URIRef("http://example.org/0e2d71c1-2be3-5add-8e31-a6138b03ab10"), + URIRef("http://example.org/caeac903-9a94-5f8e-a84e-8d67f3c7a549"), + URIRef("http://example.org/0ad4689d-b35a-5c69-8cc4-4c88f602b74d"), + URIRef("http://example.org/845ffc96-dce4-5716-9fcf-6e161b83c1bd"), + URIRef("http://example.org/9d841256-fc35-58b8-92a1-b327e9be2be6"), + URIRef("http://example.org/3b747ebd-1c94-5e03-9514-e3c10195e746"), + URIRef("http://example.org/4d0626e4-f2c8-53ec-83dd-794fd44ab20a"), + URIRef("http://example.org/43aa9f66-d61b-59b2-a059-bdb03aaa082c"), + } + + def test_graph_generator_init_missing_analysis_process( enrichment_analyzer_instance_for_immune_data, ): @@ -87,10 +188,18 @@ def test_graph_generator_init_with_valid_input(enrichment_analyzer_instance_for_ assert graph_generator.label_priority is None -def test_generate_rdf_graph_with_merge(graph_generator_instance_for_kidney): +def test_generate_rdf_graph_with_merge(graph_generator_instance_for_kidney, expected_stable_ids): graph_generator = graph_generator_instance_for_kidney graph_generator.generate_rdf_graph(merge=True) - assert len(graph_generator.graph) == 743 + assert ( + set( + graph_generator.graph.subjects( + predicate=RDF.type, object=URIRef("http://purl.obolibrary.org/obo/PCL_0010001") + ) + ) + == expected_stable_ids + ) + assert len(graph_generator.graph) == 747 assert ( len([[s, p, o] for s, p, o in graph_generator.graph.triples((None, RDF.type, None))]) == 146 ) @@ -132,7 +241,7 @@ def test_generate_rdf_graph_with_merge(graph_generator_instance_for_kidney): def test_generate_rdf_graph_without_merge(graph_generator_instance_for_kidney): graph_generator = graph_generator_instance_for_kidney graph_generator.generate_rdf_graph() - assert len(graph_generator.graph) == 2173 + assert len(graph_generator.graph) == 2177 assert ( len([[s, p, o] for s, p, o in graph_generator.graph.triples((None, RDF.type, None))]) == 312 ) @@ -161,11 +270,11 @@ def test_enrich_rdf_graph_with_merge(graph_generator_instance_for_kidney): graph_generator = graph_generator_instance_for_kidney graph_generator.generate_rdf_graph(merge=True) - assert len(graph_generator.graph) == 743 + assert len(graph_generator.graph) == 747 graph_generator.enrich_rdf_graph() - assert len(graph_generator.graph) == 1242 + assert len(graph_generator.graph) == 1246 assert ( URIRef(CONSIST_OF.get("iri")), RDFS.label, @@ -190,11 +299,11 @@ def test_enrich_rdf_graph_without_merge(graph_generator_instance_for_kidney): graph_generator = graph_generator_instance_for_kidney graph_generator.generate_rdf_graph() - assert len(graph_generator.graph) == 2173 + assert len(graph_generator.graph) == 2177 graph_generator.enrich_rdf_graph() - assert len(graph_generator.graph) == 2672 + assert len(graph_generator.graph) == 2676 def test_save_rdf_graph(graph_generator_instance_for_kidney):