test for provenance from SNLs

tests/emmet-core/test_provenance.py

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+from datetime import datetime
+
+import pytest
+from pymatgen import Element, Lattice
+from pymatgen.core import Structure
+from pymatgen.util.provenance import Author, HistoryNode, StructureNL
+
+from emmet.core.provenance import Database, ProvenanceDoc
+
+
+@pytest.fixture
+def structure():
+    test_latt = Lattice.cubic(3.0)
+    test_struc = Structure(lattice=test_latt, species=["Fe"], coords=[[0, 0, 0]])
+    return test_struc
+
+
+@pytest.fixture
+def snls(structure):
+
+    docs = [
+        StructureNL(
+            structure,
+            authors=[Author("test{i}", "test@test.com").as_dict()],
+            history=[HistoryNode("nothing", "url.com", {})],
+            created_at=datetime.utcnow(),
+        ).as_dict()
+        for i in range(3)
+    ]
+    docs[0]["snl_id"] = "icsd-2"
+    docs[1]["snl_id"] = "user-1"
+    docs[2]["snl_id"] = "pf-3"
+
+    return docs
+
+
+def test_from_snls(snls):
+
+    doc = ProvenanceDoc.from_SNLs(material_id="mp-3", snls=snls)
+
+    assert isinstance(doc, ProvenanceDoc)
+    assert doc.property_name == "provenance"
+    assert doc.material_id == "mp-3"
+    assert doc.theoretical is True
+    assert doc.database_IDs == {
+        Database.ICSD: ["icsd-2"],
+        Database.Pauling_Files: ["pf-3"],
+    }
+
+    # Test experimental detection
+    snls[0]["about"]["history"][0]["experimental"] = True
+    assert ProvenanceDoc.from_SNLs(material_id="mp-3", snls=snls).theoretical is False