diff --git a/src/perovskite_solar_cell_database/llm_extraction_schema.py b/src/perovskite_solar_cell_database/llm_extraction_schema.py index 5c32235..b328bf5 100644 --- a/src/perovskite_solar_cell_database/llm_extraction_schema.py +++ b/src/perovskite_solar_cell_database/llm_extraction_schema.py @@ -7,6 +7,7 @@ from nomad.datamodel.metainfo.eln import ELNAnnotation from nomad.metainfo import JSON, Quantity, Section, SubSection from nomad.metainfo.metainfo import MEnum +from perovskite_solar_cell_database.composition import PerovskiteCompositionSection if TYPE_CHECKING: pass @@ -42,32 +43,9 @@ class Ion(SectionRevision): ) -class PerovskiteComposition(SectionRevision): +class PerovskiteComposition(SectionRevision, PerovskiteCompositionSection): m_def = Section(label='Perovskite Composition') - - formula = Quantity( - type=str, - description='The perovskite composition according to IUPAC recommendations, where standard abbreviations are used for all ions', - a_eln=ELNAnnotation(label='Formula', component='StringEditQuantity'), - ) - - dimensionality = Quantity( - type=MEnum(['0D', '1D', '2D', '3D', '2D/3D']), - description='Dimensionality of the perovskite structure', - a_eln=ELNAnnotation(label='Dimensionality', component='RadioEnumEditQuantity'), - ) - - ions_a_site = SubSection( - section_def=Ion, repeats=True, a_eln=ELNAnnotation(label='A-site Ions') - ) - - ions_b_site = SubSection( - section_def=Ion, repeats=True, a_eln=ELNAnnotation(label='B-site Ions') - ) - - ions_x_site = SubSection( - section_def=Ion, repeats=True, a_eln=ELNAnnotation(label='X-site Ions') - ) + pass # LightSource class