Merge pull request #690 from OpenFreeEnergy/tokenizable_atom_mappers

Tokenizable atom mappers

openfe/tests/setup/atom_mapping/test_atommapper.py

@@ -23,6 +23,17 @@ class TestAtomMapper:
             def __init__(self, mappings):
                 self.mappings = mappings
 
+            @classmethod
+            def _defaults(cls):
+                return {}
+
+            def _to_dict(self):
+                return {'mappings': self.mappings}
+
+            @classmethod
+            def _from_dict(cls, dct):
+                return cls(**dct)
+
             def _mappings_generator(self, componentA, componentB):
                 for mapping in self.mappings:
                     yield mapping.componentA_to_componentB

openfe/tests/setup/test_network_planning.py

@@ -10,6 +10,17 @@ from ..conftest import mol_from_smiles
 
 
 class BadMapper(openfe.setup.atom_mapping.LigandAtomMapper):
+    @classmethod
+    def _defaults(cls):
+        return {}
+
+    def _to_dict(self):
+        return {}
+
+    @classmethod
+    def _from_dict(cls, d):
+        return cls()
+
     def _mappings_generator(self, molA, molB):
         yield {0: 0}