improve error (useless before)

adcc/backends/pyscf.py

@@ -59,34 +59,32 @@ def nabla(self):
 
     @property
     def pe_induction_elec(self):
-        if not hasattr(self.scfres, "with_solvent"):
-            raise ValueError("Cannot compute PE induction for "
-                             "an SCF state without solvent.")
-        if not hasattr(self.scfres.with_solvent, "cppe_state"):
-            raise ValueError("Cannot compute PE induction for "
-                             "an SCF state without PE.")
-
         def pe_induction_elec_ao(dm):
+            if not hasattr(self.scfres, "with_solvent"):
+                raise ValueError("Cannot compute PE induction for "
+                                 "an SCF state without solvent.")
+            if not hasattr(self.scfres.with_solvent, "cppe_state"):
+                raise ValueError("Cannot compute PE induction for "
+                                 "an SCF state without PE.")
             return self.scfres.with_solvent._exec_cppe(
                 dm.to_ndarray(), elec_only=True
             )[1]
         return pe_induction_elec_ao
 
     @property
     def pcm_potential_elec(self):
-        if not hasattr(self.scfres, "with_solvent"):
-            raise ValueError("Cannot compute PCM potential for "
-                             "an SCF state without solvent.")
-        if not isinstance(self.scfres.with_solvent, ddcosmo.DDCOSMO):
-            raise ValueError("Cannot compute PCM potential for "
-                             "an SCF state without PCM.")
-
         def pcm_potential_elec_ao(dm):
             # Since eps (dielectric constant) is the only solvent parameter
             # in pyscf and there is no solvent data available in the
             # program, the user needs to adjust scfres.with_solvent.eps
             # manually to the optical dielectric constant (if non
             # equilibrium solvation is desired).
+            if not hasattr(self.scfres, "with_solvent"):
+                raise ValueError("Cannot compute PCM potential for "
+                                 "an SCF state without solvent.")
+            if not isinstance(self.scfres.with_solvent, ddcosmo.DDCOSMO):
+                raise ValueError("Cannot compute PCM potential for "
+                                 "an SCF state without PCM.")
             return self.scfres.with_solvent._B_dot_x(
                 dm.to_ndarray()
             )