diff --git a/src/nomad_catalysis/schema_packages/catalysis.py b/src/nomad_catalysis/schema_packages/catalysis.py index 132e5c4..b959707 100644 --- a/src/nomad_catalysis/schema_packages/catalysis.py +++ b/src/nomad_catalysis/schema_packages/catalysis.py @@ -172,8 +172,11 @@ def map_and_assign_attributes(self, logger, mapping, target, obj=None) -> None: ) +threshold_conc = 1.1 + + def check_if_concentration_in_percentage(self, conc_array, logger) -> None: - if conc_array is not None and any(y > 1.1 for y in conc_array): + if conc_array is not None and any(y > threshold_conc for y in conc_array): logger.error( f'Gas concentration for reagent "{self.name}" is above 1, ' f'but should be given as fraction.'