testing website calls

etc/environment.yml

@@ -9,7 +9,6 @@ dependencies:
   - python
   - rdkit
   - scikit-learn
-  - nomkl
   - numpy
   - uvicorn
   - pytest

src/test/test_api.py

@@ -1,8 +1,12 @@
+import json
+import os
+from pathlib import Path
 from urllib.parse import quote
 
 from fastapi.testclient import TestClient
 from ysi_api import app
 
+dir_path = os.path.dirname(os.path.realpath(__file__))
 fastapi_client = TestClient(app)
 
 
@@ -14,7 +18,7 @@ def test_path_api():
     assert data["outlier"] is True
 
     data = fastapi_client.get("/predict/X").json()
-    assert data['detail'] == "Invalid smiles: X"
+    assert data["detail"] == "Invalid smiles: X"
 
 
 def test_query_api():
@@ -24,3 +28,19 @@ def test_query_api():
 
     data = fastapi_client.get(f"/predict?smiles={smiles}").json()
     assert data["status"] == "ok"
+
+
+def test_result():
+    data = fastapi_client.get(r"/result/C/C(=C\c1ccccc1)c1ccccc1").json()
+    assert "svg" in data["mol_svg"]
+    assert (
+        data["named_smiles"] == "C/C(=C\\c1ccccc1)c1ccccc1 (trans 1,2-diphenylpropene)"
+    )
+    assert data["status"] == "ok"
+
+
+def test_frag():
+    frag = "[H]-[C](-[H])(-[C])-[C] | (Ring)"
+    data = fastapi_client.get(f"/frag/{quote(frag)}").json()
+    assert "svg" in data["frag_svg"]
+    assert data["status"] == "ok"