diff --git a/nomad/normalizing/encyclopedia/material.py b/nomad/normalizing/encyclopedia/material.py index 74791be87bfe8fa7a68ef25898947546af1d2042..4e8a61103ffb5afdb89a6cfe205a9ef188fae787 100644 --- a/nomad/normalizing/encyclopedia/material.py +++ b/nomad/normalizing/encyclopedia/material.py @@ -414,12 +414,12 @@ class MaterialBulkNormalizer(MaterialNormalizer): self.crystal_system(bulk, sec_symmetry) self.lattice_vectors_primitive(ideal, prim_atoms) self.formula(material, names, counts) - self.formula_reduced(material, names, reduced_counts) + self.formula_reduced(material, names, reduced_counts) # type: ignore self.species(material, names) - self.species_and_counts(material, names, reduced_counts) + self.species_and_counts(material, names, reduced_counts) # type: ignore self.has_free_wyckoff_parameters(bulk, symmetry_analyzer) self.lattice_parameters(ideal, std_atoms) - self.material_name(material, names, reduced_counts) + self.material_name(material, names, reduced_counts) # type: ignore self.material_classification(material, sec_system) self.periodicity(ideal) self.point_group(bulk, sec_symmetry) @@ -538,9 +538,9 @@ class Material2DNormalizer(MaterialNormalizer): self.lattice_vectors(ideal, std_atoms) self.lattice_vectors_primitive(ideal, prim_atoms) self.formula(material, names, counts) - self.formula_reduced(material, names, reduced_counts) + self.formula_reduced(material, names, reduced_counts) # type: ignore self.species(material, names) - self.species_and_counts(material, names, reduced_counts) + self.species_and_counts(material, names, reduced_counts) # type: ignore self.lattice_parameters(ideal, std_atoms, ideal.periodicity) @@ -755,8 +755,8 @@ class Material1DNormalizer(MaterialNormalizer): self.atom_positions(ideal, std_atoms) self.lattice_vectors(ideal, std_atoms) self.formula(material, names, counts) - self.formula_reduced(material, names, reduced_counts) + self.formula_reduced(material, names, reduced_counts) # type: ignore self.species(material, names) - self.species_and_counts(material, names, reduced_counts) + self.species_and_counts(material, names, reduced_counts) # type: ignore self.material_id_1d(material, std_atoms) self.lattice_parameters(ideal, std_atoms, ideal.periodicity) diff --git a/nomad/normalizing/encyclopedia/method.py b/nomad/normalizing/encyclopedia/method.py index a3e3db5cb975e2d24891bf8706dc0b4a50cd4912..4176fc524d493176c02185bc232aa29bfff62448 100644 --- a/nomad/normalizing/encyclopedia/method.py +++ b/nomad/normalizing/encyclopedia/method.py @@ -127,12 +127,12 @@ class MethodNormalizer(): atom_positions = sec_sys['atom_positions'] geom_dict['atom_positions'] = np.array2string( atom_positions.to(ureg.angstrom).magnitude, # convert to Angstrom - formatter={'float_kind': lambda x: "%.6f" % x}, + formatter={'float_kind': lambda x: "%.6f" % x}, # type: ignore ).replace('\n', '') cell = sec_sys['lattice_vectors'] geom_dict['simulation_cell'] = np.array2string( cell.to(ureg.angstrom).magnitude, # convert to Angstrom - formatter={'float_kind': lambda x: "%.6f" % x}, + formatter={'float_kind': lambda x: "%.6f" % x}, # type: ignore ).replace('\n', '') param_dict['settings_geometry'] = geom_dict