Added extra messages to UIatoms class for debugging GH action

src/koopmans/processes/ui/_atoms.py

@@ -13,6 +13,8 @@
 from ase import Atoms
 from ase.cell import Cell
 
+from koopmans import utils
+
 
 class UIAtoms(Atoms):
 
@@ -79,3 +81,26 @@ def fromatoms(cls, atoms: Atoms, supercell_matrix: Optional[np.ndarray] = None):
 
         # Return the new UIAtoms object
         return ui_atoms
+
+    def __eq__(self, other):
+        # Patching for test
+        if not isinstance(other, UIAtoms):
+            return False
+        a = self.arrays
+        b = other.arrays
+        if len(self) != len(other):
+            utils.warn('Atoms have different lengths')
+            return False
+        if (a['numbers'] != b['numbers']).any():
+            utils.warn('Atoms have different numbers')
+            return False
+        if (a['positions'] != b['positions']).any():
+            utils.warn('Atoms have different positions')
+            return False
+        if not (self.cell == other.cell).all():
+            utils.warn('Atoms have different cells')
+            return False
+        if not (self.pbc == other.pbc).all():
+            utils.warn('Atoms have different pbc')
+            return False
+        return True