[Feature] Engineer Pathway (#256)

Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#256

epdb/logic.py

@@ -1398,6 +1398,9 @@ class SEdge(object):
         self.rule = rule
         self.probability = probability
 
+    def product_smiles(self):
+        return [p.smiles for p in self.products]
+
     def __hash__(self):
         full_hash = 0
 
@@ -1630,6 +1633,14 @@ class SPathway(object):
             # call save to update the internal modified field
             self.persist.save()
 
+    def get_edge_for_educt_smiles(self, smiles: str) -> List[SEdge]:
+        res = []
+        for e in self.edges:
+            for n in e.educts:
+                if n.smiles == smiles:
+                    res.append(e)
+        return res
+
     def _sync_to_pathway(self) -> None:
         logger.info("Updating Pathway with SPathway")