From 20f6422fc67f6255e1cd27ed9f9f2871d04459e2 Mon Sep 17 00:00:00 2001 From: avdudchenko <33663878+avdudchenko@users.noreply.github.com> Date: Sat, 19 Oct 2024 21:43:21 -0700 Subject: [PATCH] notes on charge neturalit --- src/reaktoro_pse/core/reaktoro_outputs.py | 4 +++- src/reaktoro_pse/reaktoro_block.py | 2 +- 2 files changed, 4 insertions(+), 2 deletions(-) diff --git a/src/reaktoro_pse/core/reaktoro_outputs.py b/src/reaktoro_pse/core/reaktoro_outputs.py index 567706e..5ba27c8 100644 --- a/src/reaktoro_pse/core/reaktoro_outputs.py +++ b/src/reaktoro_pse/core/reaktoro_outputs.py @@ -419,7 +419,9 @@ def get_prop_type(self, property_name, property_index=None): pass raise NotImplementedError( - f"The {property_name}, {property_index} is not supported at the moment" + f"""The {property_name}, {property_index} was not found, + its either not supported, or requested index is not in present. + """ ) def get_possible_indexes(self): diff --git a/src/reaktoro_pse/reaktoro_block.py b/src/reaktoro_pse/reaktoro_block.py index 086d38b..ab6d374 100644 --- a/src/reaktoro_pse/reaktoro_block.py +++ b/src/reaktoro_pse/reaktoro_block.py @@ -561,7 +561,7 @@ def build_rkt_inputs( # if we have built a speciation block, the feed should be charge neutral and # exact speciation is provided block.rkt_inputs.register_charge_neutrality( - assert_neutrality=True, ion="H+" # self.config.charge_neutrality_ion + assert_neutrality=False, ion=self.config.charge_neutrality_ion ) block.rkt_inputs.configure_specs(