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Initialized perovskite database app.
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src/perovskite_solar_cell_database/apps/perovskite_solar_cell_database_app.py
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,202 @@ | ||
| import yaml | ||
| from nomad.config.models.ui import ( | ||
| App, | ||
| Axis, | ||
| Column, | ||
| Dashboard, | ||
| Menu, | ||
| MenuItemHistogram, | ||
| MenuItemPeriodicTable, | ||
| MenuItemTerms, | ||
| SearchQuantities, | ||
| ) | ||
|
|
||
| schemas = [ | ||
| '*#perovskite_solar_cell_database.schema.PerovskiteSolarCell', | ||
| ] | ||
| # noqa: E501 | ||
| perovskite_database_app = App( | ||
| label='The Perovskite Solar Cell Database', | ||
| path='perovskite-solar-cells', | ||
| category='Halide Perovskites', | ||
| description='Search Entries of the Perovskite Solar Cell Database', | ||
| search_quantities=SearchQuantities(include=schemas), | ||
| columns=[ | ||
| Column(quantity='entry_create_time', selected=True), | ||
| ], | ||
| # Column( | ||
| # quantity='results.properties.optoelectronic.solar_cell.efficiency', | ||
| # selected=True, | ||
| # format={'decimals': 2, 'mode': 'standard'}, | ||
| # label='Efficiency (%)', | ||
| # ), | ||
| # Column( | ||
| # quantity='results.properties.optoelectronic.solar_cell.open_circuit_voltage', | ||
| # selected=True, | ||
| # format={'decimals': 3, 'mode': 'standard'}, | ||
| # unit='V', | ||
| # ), | ||
| # Column( | ||
| # quantity='results.properties.optoelectronic.solar_cell.short_circuit_current_density', | ||
| # selected=True, | ||
| # format={'decimals': 3, 'mode': 'standard'}, | ||
| # unit='A/m**2', | ||
| # ), | ||
| # Column( | ||
| # quantity='results.properties.optoelectronic.solar_cell.fill_factor', | ||
| # selected=True, | ||
| # format={'decimals': 3, 'mode': 'standard'}, | ||
| # ), | ||
| # Column(quantity='references', selected=True), | ||
| # Column(quantity='results.material.chemical_formula_hill', label='Formula'), | ||
| # Column(quantity='results.material.structural_type'), | ||
| # Column( | ||
| # quantity='results.properties.optoelectronic.solar_cell.illumination_intensity', | ||
| # format={'decimals': 3, 'mode': 'standard'}, | ||
| # label='Illum. intensity', | ||
| # unit='W/m**2', | ||
| # ), | ||
| # Column(quantity='results.eln.lab_ids'), | ||
| # Column(quantity='results.eln.sections'), | ||
| # Column(quantity='results.eln.methods'), | ||
| # Column(quantity='results.eln.tags'), | ||
| # Column(quantity='results.eln.instruments'), | ||
| # Column(quantity='entry_name', label='Name'), | ||
| # Column(quantity='entry_type'), | ||
| # Column(quantity='mainfile'), | ||
| # Column(quantity='upload_create_time', label='Upload time'), | ||
| # Column(quantity='authors'), | ||
| # Column(quantity='comment'), | ||
| # Column(quantity='datasets'), | ||
| # Column(quantity='published', label='Access'), | ||
| menu=Menu( | ||
| items=[ | ||
| MenuItemTerms( | ||
| quantity='results.material.chemical_formula_hill', | ||
| show_input=False, | ||
| ), | ||
| Menu( | ||
| title='Absorber Material', | ||
| items=[ | ||
| MenuItemTerms( | ||
| quantity='results.material.chemical_formula_hill', | ||
| show_input=True, | ||
| ), | ||
| ], | ||
| ), | ||
| ] | ||
| ), | ||
| # menu=Menu( | ||
| # items=[ | ||
| # # MenuItemTerms( | ||
| # # quantity=f'data.status#{schema_name}', | ||
| # # show_input=False, | ||
| # # ), | ||
| # Menu( | ||
| # title='Absorber Material', | ||
| # items=[ | ||
| # MenuItemTerms( | ||
| # quantity='results.material.chemical_formula_descriptive', | ||
| # show_input=True, | ||
| # ), | ||
| # MenuItemTerms( | ||
| # quantity='results.material.chemical_formula_iupac', | ||
| # show_input=False, | ||
| # ), | ||
| # MenuItemHistogram( | ||
| # x=Axis( | ||
| # search_quantity='results.material.n_atoms', | ||
| # ) | ||
| # ), | ||
| # ], | ||
| # ), | ||
| # Menu( | ||
| # size='xs', | ||
| # title='', | ||
| # items=[ | ||
| # MenuItemTerms( | ||
| # quantity=f'data.parameters.name#{schema_name}', | ||
| # ), | ||
| # ], | ||
| # ), | ||
| # Menu( | ||
| # title='Recommender', | ||
| # items=[ | ||
| # MenuItemTerms( | ||
| # search_quantity=f'data.recommender.type#{schema_name}', | ||
| # show_input=False, | ||
| # ), | ||
| # MenuItemTerms( | ||
| # search_quantity=f'data.recommender.surrogate_model.type#{schema_name}', | ||
| # show_input=False, | ||
| # ), | ||
| # MenuItemTerms( | ||
| # search_quantity=f'data.recommender.acquisition_function.type#{schema_name}', | ||
| # show_input=False, | ||
| # options=1, | ||
| # ), | ||
| # MenuItemTerms( | ||
| # search_quantity=f'data.recommender.hybrid_sampler#{schema_name}', | ||
| # show_input=False, | ||
| # ), | ||
| # MenuItemHistogram( | ||
| # x=Axis( | ||
| # search_quantity=f'data.recommender.sampling_percentage#{schema_name}' | ||
| # ) | ||
| # ), | ||
| # ], | ||
| # ), | ||
| # ] | ||
| # ), | ||
| dashboard=Dashboard.parse_obj( | ||
| yaml.safe_load( | ||
| """ | ||
| widgets: | ||
| - type: periodictable | ||
| scale: linear | ||
| search_quantity: results.material.elements | ||
| layout: | ||
| xxl: | ||
| minH: 8 | ||
| minW: 12 | ||
| h: 9 | ||
| w: 13 | ||
| y: 0 | ||
| x: 0 | ||
| xl: | ||
| minH: 8 | ||
| minW: 12 | ||
| h: 9 | ||
| w: 12 | ||
| y: 0 | ||
| x: 0 | ||
| lg: | ||
| minH: 8 | ||
| minW: 12 | ||
| h: 8 | ||
| w: 12 | ||
| y: 0 | ||
| x: 0 | ||
| md: | ||
| minH: 8 | ||
| minW: 12 | ||
| h: 8 | ||
| w: 12 | ||
| y: 0 | ||
| x: 0 | ||
| sm: | ||
| minH: 8 | ||
| minW: 12 | ||
| h: 8 | ||
| w: 12 | ||
| y: 0 | ||
| x: 0 | ||
| """ | ||
| ) | ||
| ), | ||
| filters_locked={ | ||
| 'section_defs.definition_qualified_name': [ | ||
| 'perovskite_solar_cell_database.schema.PerovskiteSolarCell' | ||
| ] | ||
| }, | ||
| ) |