add compliance check

Author: JR-1991

pyenzyme/thinlayers/psyces.py

@@ -73,6 +73,11 @@ def __init__(
             >>> doc = pe.read_enzymeml("path/to/enzmldoc.json")
             >>> tl = tls.ThinLayerPysces(doc)
         """
+
+        # Currently, the ThinLayerPysces only supports the reaction model
+        # TODO: Add support for Rate Rules
+        self._check_compliance(enzmldoc)
+
         super().__init__(
             enzmldoc=enzmldoc,
             measurement_ids=measurement_ids,
@@ -89,6 +94,25 @@ def __init__(
         # Convert model to PSC
         self._get_pysces_model(model_dir)
 
+    def _check_compliance(self, enzmldoc: v2.EnzymeMLDocument):
+        """
+        Check if the EnzymeML document is compliant with the PySCeS model.
+        """
+        has_kinetic_laws = any(m.kinetic_law is not None for m in enzmldoc.reactions)
+
+        has_odes = any(
+            m.equation_type == v2.EquationType.ODE for m in enzmldoc.equations
+        )
+
+        if not has_kinetic_laws:
+            raise ValueError("EnzymeML document must contain kinetic laws")
+
+        if has_odes:
+            raise ValueError(
+                "The PySCeS thinlayer only supports Kinetic Laws, not ODEs",
+                "Support for ODEs will be added in the future.",
+            )
+
     def integrate(
         self,
         model: v2.EnzymeMLDocument,

tests/integration/test_psyces.py

@@ -1,4 +1,6 @@
 import tempfile
+
+import pytest
 import pyenzyme as pe
 from pyenzyme.thinlayers import ThinLayerPysces
 from pyenzyme.versions import v2
@@ -60,6 +62,13 @@ def test_plot(self):
             assert fig is not None, "Figure is not created"
             assert axs is not None, "Axes are not created"
 
+    def test_compliance(self):
+        doc = pe.read_enzymeml("tests/fixtures/modeling/enzmldoc.json")
+
+        with pytest.raises(ValueError):
+            with tempfile.TemporaryDirectory() as tmp_dir:
+                ThinLayerPysces(doc, tmp_dir)
+
     @staticmethod
     def _extract_parameter(doc: v2.EnzymeMLDocument, symbol: str) -> v2.Parameter:
         param = next(p for p in doc.parameters if p.symbol == symbol)