From f530e1eb5b6d871a94a96caa12f7ff909f1f1b4e Mon Sep 17 00:00:00 2001 From: Jan Range Date: Sun, 8 Sep 2024 11:56:31 +0200 Subject: [PATCH] update tests --- tests/fixtures/sbml/ode_example_enzml.json | 447 +++++++++++---------- tests/fixtures/sbml/odes_example.omex | Bin 2429 -> 2452 bytes tests/fixtures/sbml/v1_example_enzml.json | 7 + tests/integration/test_sbml.py | 6 + 4 files changed, 239 insertions(+), 221 deletions(-) diff --git a/tests/fixtures/sbml/ode_example_enzml.json b/tests/fixtures/sbml/ode_example_enzml.json index ca2dca0..05a5ec9 100644 --- a/tests/fixtures/sbml/ode_example_enzml.json +++ b/tests/fixtures/sbml/ode_example_enzml.json @@ -1,8 +1,8 @@ { "@context": { "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/", "name": "schema:title", "references": { "@id": "schema:citation", @@ -12,7 +12,7 @@ "modified": "schema:dateModified", "creators": "schema:creator" }, - "@id": "enzml:EnzymeMLDocument/833d46aa-58c7-4d42-b341-43f1fe0fece0", + "@id": "enzml:EnzymeMLDocument/c051b03b-83c2-4671-ac9b-87f0dea9137a", "@type": [ "enzml:EnzymeMLDocument" ], @@ -23,8 +23,8 @@ { "@context": { "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/", "id": { "@id": "schema:identifier", "@type": "@id" @@ -32,7 +32,7 @@ "name": "schema:name", "volume": "OBO:OBI_0002139" }, - "@id": "enzml:Vessel/abc02182-675a-4fd7-b067-9f376f17b874", + "@id": "enzml:Vessel/a8c3e187-b735-49df-b76a-684916d91c25", "@type": [ "enzml:Vessel", "OBO:OBI_0400081" @@ -43,8 +43,8 @@ "unit": { "@context": { "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", - "schema": "https://schema.org/" + "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/" }, "@id": "OBO:UO_0000098", "@type": [ @@ -56,10 +56,10 @@ { "@context": { "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", - "schema": "https://schema.org/" + "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/" }, - "@id": "enzml:BaseUnit/7ea9c0d4-dcbb-4e59-94f2-7b1779e35b1b", + "@id": "enzml:BaseUnit/ad727ef5-a949-4b31-b73a-db00c5804be7", "@type": [ "enzml:BaseUnit" ], @@ -76,8 +76,8 @@ { "@context": { "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/", "id": { "@type": "@id" }, @@ -96,7 +96,7 @@ "@type": "@id" } }, - "@id": "enzml:Protein/487be0d2-e325-4f0b-857b-3bd8d54c4003", + "@id": "enzml:Protein/e4d6270e-788f-4773-b507-1f85396fa674", "@type": [ "enzml:Protein", "schema:Protein" @@ -116,24 +116,29 @@ { "@context": { "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/", "id": { "@id": "schema:identifier", "@type": "@id" }, "name": "schema:name", + "vessel_id": { + "@id": "schema:identifier", + "@type": "@id" + }, "participants": { "@type": "@id" } }, - "@id": "enzml:Complex/2f52086d-d7a8-4a2d-870b-bd6bafd91504", + "@id": "enzml:Complex/be1a42ec-01ea-4f63-b557-1fde75f57ef7", "@type": [ "enzml:Complex" ], "id": "c0", "name": "Enzyme-Substrate Complex", "constant": false, + "vessel_id": "v0", "participants": [ "p0", "s0" @@ -144,8 +149,8 @@ { "@context": { "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/", "id": { "@id": "schema:identifier", "@type": "@id" @@ -160,7 +165,7 @@ "@type": "@id" } }, - "@id": "enzml:SmallMolecule/551e35d3-ae18-490d-b4a7-003fcd28f446", + "@id": "enzml:SmallMolecule/8162f8a5-884e-40b5-9a2a-7f04ace5c21e", "@type": [ "enzml:SmallMolecule" ], @@ -175,8 +180,8 @@ { "@context": { "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/", "id": { "@id": "schema:identifier", "@type": "@id" @@ -191,7 +196,7 @@ "@type": "@id" } }, - "@id": "enzml:SmallMolecule/1a93b3f8-ce94-429d-975b-ff6a837b0424", + "@id": "enzml:SmallMolecule/fe089160-e9c5-4862-ba88-1a437f29134f", "@type": [ "enzml:SmallMolecule" ], @@ -209,8 +214,8 @@ { "@context": { "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/", "id": { "@id": "schema:identifier", "@type": "@id" @@ -219,7 +224,7 @@ "@type": "@id" } }, - "@id": "enzml:Measurement/83db3a41-626e-461b-80d2-9618997c6af3", + "@id": "enzml:Measurement/7766fd7f-cd7d-4ff1-8e83-9527cb45a005", "@type": [ "enzml:Measurement" ], @@ -229,13 +234,13 @@ { "@context": { "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/", "species_id": { "@type": "@id" } }, - "@id": "enzml:MeasurementData/a1e71511-2b64-40af-a50f-7ede47b45baa", + "@id": "enzml:MeasurementData/b55b4581-9600-425e-b315-19a28e782a26", "@type": [ "enzml:MeasurementData" ], @@ -244,8 +249,8 @@ "data_unit": { "@context": { "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", - "schema": "https://schema.org/" + "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/" }, "@id": "OBO:UO_0000063", "@type": [ @@ -257,10 +262,10 @@ { "@context": { "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", - "schema": "https://schema.org/" + "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/" }, - "@id": "enzml:BaseUnit/0a98675d-d6e6-4551-8f2a-90483c57936d", + "@id": "enzml:BaseUnit/41bc70c0-6cd0-49d3-a659-f195b6d8bdf9", "@type": [ "enzml:BaseUnit" ], @@ -271,10 +276,10 @@ { "@context": { "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", - "schema": "https://schema.org/" + "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/" }, - "@id": "enzml:BaseUnit/335f309c-13e0-4eb8-9765-3945a8683f7f", + "@id": "enzml:BaseUnit/61182f56-73ee-47cd-ac22-4ce7ad6da66a", "@type": [ "enzml:BaseUnit" ], @@ -284,35 +289,6 @@ } ] }, - "time_unit": { - "@context": { - "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", - "schema": "https://schema.org/" - }, - "@id": "OBO:UO_0000010", - "@type": [ - "OBO:UO_0000000" - ], - "id": "u1", - "name": "s", - "base_units": [ - { - "@context": { - "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", - "schema": "https://schema.org/" - }, - "@id": "enzml:BaseUnit/4e3a6a14-ca74-4c8a-b00f-45a3cfea6e11", - "@type": [ - "enzml:BaseUnit" - ], - "kind": "second", - "exponent": 1, - "scale": 1.0 - } - ] - }, "data_type": "http://purl.obolibrary.org/obo/PATO_0000033", "data": [ 0.0, @@ -340,18 +316,47 @@ 9.0, 10.0 ], + "time_unit": { + "@context": { + "enzml": "http://www.enzymeml.org/v2/", + "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/" + }, + "@id": "OBO:UO_0000010", + "@type": [ + "OBO:UO_0000000" + ], + "id": "u1", + "name": "s", + "base_units": [ + { + "@context": { + "enzml": "http://www.enzymeml.org/v2/", + "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/" + }, + "@id": "enzml:BaseUnit/e9698180-23e9-4660-adcc-38dbf74c0ad5", + "@type": [ + "enzml:BaseUnit" + ], + "kind": "second", + "exponent": 1, + "scale": 1.0 + } + ] + }, "is_simulated": false }, { "@context": { "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/", "species_id": { "@type": "@id" } }, - "@id": "enzml:MeasurementData/9de1a9fe-ede0-4e0b-a8cc-84e8dce6cb57", + "@id": "enzml:MeasurementData/715d7d38-843b-42f8-82b7-4a8d086a4fd2", "@type": [ "enzml:MeasurementData" ], @@ -360,8 +365,8 @@ "data_unit": { "@context": { "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", - "schema": "https://schema.org/" + "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/" }, "@id": "OBO:UO_0000063", "@type": [ @@ -373,10 +378,10 @@ { "@context": { "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", - "schema": "https://schema.org/" + "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/" }, - "@id": "enzml:BaseUnit/0a98675d-d6e6-4551-8f2a-90483c57936d", + "@id": "enzml:BaseUnit/41bc70c0-6cd0-49d3-a659-f195b6d8bdf9", "@type": [ "enzml:BaseUnit" ], @@ -387,10 +392,10 @@ { "@context": { "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", - "schema": "https://schema.org/" + "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/" }, - "@id": "enzml:BaseUnit/335f309c-13e0-4eb8-9765-3945a8683f7f", + "@id": "enzml:BaseUnit/61182f56-73ee-47cd-ac22-4ce7ad6da66a", "@type": [ "enzml:BaseUnit" ], @@ -400,35 +405,6 @@ } ] }, - "time_unit": { - "@context": { - "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", - "schema": "https://schema.org/" - }, - "@id": "OBO:UO_0000010", - "@type": [ - "OBO:UO_0000000" - ], - "id": "u1", - "name": "s", - "base_units": [ - { - "@context": { - "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", - "schema": "https://schema.org/" - }, - "@id": "enzml:BaseUnit/4e3a6a14-ca74-4c8a-b00f-45a3cfea6e11", - "@type": [ - "enzml:BaseUnit" - ], - "kind": "second", - "exponent": 1, - "scale": 1.0 - } - ] - }, "data_type": "http://purl.obolibrary.org/obo/PATO_0000033", "data": [ 10.0, @@ -456,6 +432,35 @@ 9.0, 10.0 ], + "time_unit": { + "@context": { + "enzml": "http://www.enzymeml.org/v2/", + "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/" + }, + "@id": "OBO:UO_0000010", + "@type": [ + "OBO:UO_0000000" + ], + "id": "u1", + "name": "s", + "base_units": [ + { + "@context": { + "enzml": "http://www.enzymeml.org/v2/", + "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/" + }, + "@id": "enzml:BaseUnit/e9698180-23e9-4660-adcc-38dbf74c0ad5", + "@type": [ + "enzml:BaseUnit" + ], + "kind": "second", + "exponent": 1, + "scale": 1.0 + } + ] + }, "is_simulated": false } ], @@ -464,8 +469,8 @@ "temperature_unit": { "@context": { "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", - "schema": "https://schema.org/" + "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/" }, "@id": "OBO:UO_0000012", "@type": [ @@ -477,10 +482,10 @@ { "@context": { "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", - "schema": "https://schema.org/" + "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/" }, - "@id": "enzml:BaseUnit/31d5028b-2d30-4053-87e7-00b42a40b165", + "@id": "enzml:BaseUnit/d593a318-0adf-4c28-b768-a60643e77209", "@type": [ "enzml:BaseUnit" ], @@ -494,8 +499,8 @@ { "@context": { "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/", "id": { "@id": "schema:identifier", "@type": "@id" @@ -504,7 +509,7 @@ "@type": "@id" } }, - "@id": "enzml:Measurement/f7603279-9db3-4039-b501-97fee1f05c4b", + "@id": "enzml:Measurement/a5492722-fe9e-42e4-b870-cfa625e58efc", "@type": [ "enzml:Measurement" ], @@ -514,13 +519,13 @@ { "@context": { "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/", "species_id": { "@type": "@id" } }, - "@id": "enzml:MeasurementData/f8d7f530-1f92-4cd7-b460-54b9cb03678b", + "@id": "enzml:MeasurementData/edd44ccc-1c8d-483b-a731-c9bf71c16fd0", "@type": [ "enzml:MeasurementData" ], @@ -529,8 +534,8 @@ "data_unit": { "@context": { "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", - "schema": "https://schema.org/" + "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/" }, "@id": "OBO:UO_0000063", "@type": [ @@ -542,10 +547,10 @@ { "@context": { "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", - "schema": "https://schema.org/" + "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/" }, - "@id": "enzml:BaseUnit/0a98675d-d6e6-4551-8f2a-90483c57936d", + "@id": "enzml:BaseUnit/41bc70c0-6cd0-49d3-a659-f195b6d8bdf9", "@type": [ "enzml:BaseUnit" ], @@ -556,10 +561,10 @@ { "@context": { "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", - "schema": "https://schema.org/" + "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/" }, - "@id": "enzml:BaseUnit/335f309c-13e0-4eb8-9765-3945a8683f7f", + "@id": "enzml:BaseUnit/61182f56-73ee-47cd-ac22-4ce7ad6da66a", "@type": [ "enzml:BaseUnit" ], @@ -569,35 +574,6 @@ } ] }, - "time_unit": { - "@context": { - "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", - "schema": "https://schema.org/" - }, - "@id": "OBO:UO_0000010", - "@type": [ - "OBO:UO_0000000" - ], - "id": "u1", - "name": "s", - "base_units": [ - { - "@context": { - "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", - "schema": "https://schema.org/" - }, - "@id": "enzml:BaseUnit/4e3a6a14-ca74-4c8a-b00f-45a3cfea6e11", - "@type": [ - "enzml:BaseUnit" - ], - "kind": "second", - "exponent": 1, - "scale": 1.0 - } - ] - }, "data_type": "http://purl.obolibrary.org/obo/PATO_0000033", "data": [ 0.0, @@ -625,18 +601,47 @@ 9.0, 10.0 ], + "time_unit": { + "@context": { + "enzml": "http://www.enzymeml.org/v2/", + "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/" + }, + "@id": "OBO:UO_0000010", + "@type": [ + "OBO:UO_0000000" + ], + "id": "u1", + "name": "s", + "base_units": [ + { + "@context": { + "enzml": "http://www.enzymeml.org/v2/", + "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/" + }, + "@id": "enzml:BaseUnit/e9698180-23e9-4660-adcc-38dbf74c0ad5", + "@type": [ + "enzml:BaseUnit" + ], + "kind": "second", + "exponent": 1, + "scale": 1.0 + } + ] + }, "is_simulated": false }, { "@context": { "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/", "species_id": { "@type": "@id" } }, - "@id": "enzml:MeasurementData/828564ec-ec24-42c2-98b2-115fdc1f2a3c", + "@id": "enzml:MeasurementData/350a22b8-dfad-43d8-b222-ce66d399e683", "@type": [ "enzml:MeasurementData" ], @@ -645,8 +650,8 @@ "data_unit": { "@context": { "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", - "schema": "https://schema.org/" + "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/" }, "@id": "OBO:UO_0000063", "@type": [ @@ -658,10 +663,10 @@ { "@context": { "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", - "schema": "https://schema.org/" + "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/" }, - "@id": "enzml:BaseUnit/0a98675d-d6e6-4551-8f2a-90483c57936d", + "@id": "enzml:BaseUnit/41bc70c0-6cd0-49d3-a659-f195b6d8bdf9", "@type": [ "enzml:BaseUnit" ], @@ -672,10 +677,10 @@ { "@context": { "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", - "schema": "https://schema.org/" + "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/" }, - "@id": "enzml:BaseUnit/335f309c-13e0-4eb8-9765-3945a8683f7f", + "@id": "enzml:BaseUnit/61182f56-73ee-47cd-ac22-4ce7ad6da66a", "@type": [ "enzml:BaseUnit" ], @@ -685,35 +690,6 @@ } ] }, - "time_unit": { - "@context": { - "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", - "schema": "https://schema.org/" - }, - "@id": "OBO:UO_0000010", - "@type": [ - "OBO:UO_0000000" - ], - "id": "u1", - "name": "s", - "base_units": [ - { - "@context": { - "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", - "schema": "https://schema.org/" - }, - "@id": "enzml:BaseUnit/4e3a6a14-ca74-4c8a-b00f-45a3cfea6e11", - "@type": [ - "enzml:BaseUnit" - ], - "kind": "second", - "exponent": 1, - "scale": 1.0 - } - ] - }, "data_type": "http://purl.obolibrary.org/obo/PATO_0000033", "data": [ 10.0, @@ -741,6 +717,35 @@ 9.0, 10.0 ], + "time_unit": { + "@context": { + "enzml": "http://www.enzymeml.org/v2/", + "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/" + }, + "@id": "OBO:UO_0000010", + "@type": [ + "OBO:UO_0000000" + ], + "id": "u1", + "name": "s", + "base_units": [ + { + "@context": { + "enzml": "http://www.enzymeml.org/v2/", + "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/" + }, + "@id": "enzml:BaseUnit/e9698180-23e9-4660-adcc-38dbf74c0ad5", + "@type": [ + "enzml:BaseUnit" + ], + "kind": "second", + "exponent": 1, + "scale": 1.0 + } + ] + }, "is_simulated": false } ], @@ -749,8 +754,8 @@ "temperature_unit": { "@context": { "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", - "schema": "https://schema.org/" + "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/" }, "@id": "OBO:UO_0000012", "@type": [ @@ -762,10 +767,10 @@ { "@context": { "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", - "schema": "https://schema.org/" + "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/" }, - "@id": "enzml:BaseUnit/31d5028b-2d30-4053-87e7-00b42a40b165", + "@id": "enzml:BaseUnit/d593a318-0adf-4c28-b768-a60643e77209", "@type": [ "enzml:BaseUnit" ], @@ -781,28 +786,28 @@ { "@context": { "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/", "species_id": { "@type": "@id" } }, - "@id": "enzml:Equation/69aec529-07bc-447a-8169-a20dc623c81a", + "@id": "enzml:Equation/99d3756a-898a-4d1f-9da8-0ddf4a78ef19", "@type": [ "enzml:Equation" ], - "equation": "E_tot * kcat * s0 / (K_m + s0)", + "equation": "E_tot*kcat*s0/(K_m + s0)", "equation_type": "ode", "species_id": "s1", "variables": [ { "@context": { "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/", "id": "schema:identifier" }, - "@id": "enzml:Variable/b4d171e6-c5ee-416b-859f-6560c5f18b5d", + "@id": "enzml:Variable/2104c1ec-afc6-45c8-be1a-3e384b925cc6", "@type": [ "enzml:Variable" ], @@ -815,13 +820,13 @@ { "@context": { "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/", "species_id": { "@type": "@id" } }, - "@id": "enzml:Equation/e1e66a46-8111-4003-9eeb-f163081c2e96", + "@id": "enzml:Equation/9674a3b0-0f65-4617-abe0-db1dc1ad0a28", "@type": [ "enzml:Equation" ], @@ -835,14 +840,14 @@ { "@context": { "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/", "id": { "@id": "schema:identifier", "@type": "@id" } }, - "@id": "enzml:Parameter/2872b6d6-191f-4bc4-a36a-130eb4534837", + "@id": "enzml:Parameter/b53a61b4-dc01-4756-b196-de11ca49f32e", "@type": [ "enzml:Parameter" ], @@ -852,8 +857,8 @@ "unit": { "@context": { "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", - "schema": "https://schema.org/" + "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/" }, "@id": "OBO:UO_0000010", "@type": [ @@ -865,10 +870,10 @@ { "@context": { "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", - "schema": "https://schema.org/" + "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/" }, - "@id": "enzml:BaseUnit/4e3a6a14-ca74-4c8a-b00f-45a3cfea6e11", + "@id": "enzml:BaseUnit/e9698180-23e9-4660-adcc-38dbf74c0ad5", "@type": [ "enzml:BaseUnit" ], @@ -886,14 +891,14 @@ { "@context": { "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/", "id": { "@id": "schema:identifier", "@type": "@id" } }, - "@id": "enzml:Parameter/31e315d7-8e87-4ef9-9ca4-1e9e08f2ded7", + "@id": "enzml:Parameter/262c575a-86af-4a68-afae-86d0a2487449", "@type": [ "enzml:Parameter" ], @@ -903,8 +908,8 @@ "unit": { "@context": { "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", - "schema": "https://schema.org/" + "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/" }, "@id": "OBO:UO_0000063", "@type": [ @@ -916,10 +921,10 @@ { "@context": { "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", - "schema": "https://schema.org/" + "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/" }, - "@id": "enzml:BaseUnit/0a98675d-d6e6-4551-8f2a-90483c57936d", + "@id": "enzml:BaseUnit/41bc70c0-6cd0-49d3-a659-f195b6d8bdf9", "@type": [ "enzml:BaseUnit" ], @@ -930,10 +935,10 @@ { "@context": { "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", - "schema": "https://schema.org/" + "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/" }, - "@id": "enzml:BaseUnit/335f309c-13e0-4eb8-9765-3945a8683f7f", + "@id": "enzml:BaseUnit/61182f56-73ee-47cd-ac22-4ce7ad6da66a", "@type": [ "enzml:BaseUnit" ], @@ -951,14 +956,14 @@ { "@context": { "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/", "id": { "@id": "schema:identifier", "@type": "@id" } }, - "@id": "enzml:Parameter/d49325e0-8483-469a-9d6d-1bcadac2bb98", + "@id": "enzml:Parameter/288ed9be-7df3-462f-84c1-bbbcc437d7a7", "@type": [ "enzml:Parameter" ], @@ -968,8 +973,8 @@ "unit": { "@context": { "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", - "schema": "https://schema.org/" + "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/" }, "@id": "OBO:UO_0000063", "@type": [ @@ -981,10 +986,10 @@ { "@context": { "enzml": "http://www.enzymeml.org/v2/", - "OBO": "http://purl.obolibrary.org/obo/", - "schema": "https://schema.org/" + "schema": "https://schema.org/", + "OBO": "http://purl.obolibrary.org/obo/" }, - "@id": "enzml:BaseUnit/0a98675d-d6e6-4551-8f2a-90483c57936d", + "@id": "enzml:BaseUnit/41bc70c0-6cd0-49d3-a659-f195b6d8bdf9", "@type": [ 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+233,7 @@ "id": "c2", "name": "E·PG", "constant": false, + "vessel_id": "v0", "participants": [ "p0", "s3" @@ -257,6 +260,7 @@ "id": "c3", "name": "E·PGME·PGME", "constant": false, + "vessel_id": "v0", "participants": [ "p0", "s0", @@ -284,6 +288,7 @@ "id": "c4", "name": "EA·7-ADCA", "constant": false, + "vessel_id": "v0", "participants": [ "p1", "s1" @@ -310,6 +315,7 @@ "id": "c5", "name": "EA·PGME", "constant": false, + "vessel_id": "v0", "participants": [ "p1", "s0" @@ -336,6 +342,7 @@ "id": "c6", "name": "E·CEX", "constant": false, + "vessel_id": "v0", "participants": [ "p0", "s2" diff --git a/tests/integration/test_sbml.py b/tests/integration/test_sbml.py index 63d9141..c747519 100644 --- a/tests/integration/test_sbml.py +++ b/tests/integration/test_sbml.py @@ -22,6 +22,11 @@ def test_parse_sbml_odes(self): EnzymeMLDocument.read("tests/fixtures/sbml/ode_example_enzml.json") ) + # Remove spaces of equation + for eq in parsed_doc["equations"]: + eq["equation"] = eq["equation"].replace(" * ", "*") + eq["equation"] = eq["equation"].replace(" / ", "/") + assert ( parsed_doc == expected_doc ), "Parsed document does not match expected document" @@ -88,6 +93,7 @@ def test_end_to_end(self): id="c0", name="Enzyme-Substrate Complex", participants=[enzyme.id, substrate.id], + vessel_id=vessel.id, ) doc.equations += peq.build_equations(