diff --git a/simulationdataschema/general.py b/simulationdataschema/general.py index 0c7e1a56..d6b0a478 100644 --- a/simulationdataschema/general.py +++ b/simulationdataschema/general.py @@ -50,7 +50,6 @@ # m_env.m_add_sub_section(Environment.packages, system.m_package) import numpy as np -from nomad.datamodel import EntryArchive from nomad.datamodel.data import EntryData from nomad.datamodel.metainfo.basesections import Computation as BaseComputation from nomad.metainfo import SubSection @@ -84,7 +83,7 @@ def _set_system_tree_index( system_child.tree_index = tree_index + 1 self._set_system_tree_index(system_child, tree_index + 1) - def normalize(self, archive: EntryArchive, logger) -> None: + def normalize(self, archive, logger) -> None: super(EntryData, self).normalize(archive, logger) # Finding which is the representative system of a calculation: typically, we will diff --git a/simulationdataschema/system.py b/simulationdataschema/system.py index 4ffb6d83..bdbebf25 100644 --- a/simulationdataschema/system.py +++ b/simulationdataschema/system.py @@ -54,7 +54,7 @@ from nomad.atomutils import Formula, get_normalized_wyckoff, search_aflow_prototype from nomad.datamodel.data import ArchiveSection -from nomad.datamodel import EntryArchive + from nomad.metainfo import Quantity, SubSection, SectionProxy, MEnum from nomad.datamodel.metainfo.basesections import System, RealSpace from nomad.datamodel.metainfo.annotations import ELNAnnotation @@ -180,7 +180,7 @@ class AtomicCell(RealSpace): """, ) - def normalize(self, archive: EntryArchive, logger) -> None: + def normalize(self, archive, logger) -> None: # Check if AtomicCell section exists if self is None: logger.error("Could not find the basic System.atomic_cell information.") @@ -750,7 +750,7 @@ def _resolve_bulk_symmetry(self, ase_atoms: ase.Atoms) -> None: sec_symmetry.m_set(val, symmetry.get(key)) sec_symmetry.atomic_cell_ref = self.atomic_cell[-1] - def normalize(self, archive: EntryArchive, logger) -> None: + def normalize(self, archive, logger) -> None: super().normalize(archive, logger) self.logger = logger