Added search app

src/nomad_polymerization_reactions/apps/__init__.py

@@ -1,23 +1,11 @@
 from nomad.config.models.plugins import AppEntryPoint
-from nomad.config.models.ui import App, Column, Columns, FilterMenu, FilterMenus
+
+from nomad_polymerization_reactions.apps.polymerization_reaction_app import (
+    polymerization_reaction_app,
+)
 
 myapp = AppEntryPoint(
-    name='MyApp',
-    description='App defined using the new plugin mechanism.',
-    app=App(
-        label='MyApp',
-        path='myapp',
-        category='simulation',
-        columns=Columns(
-            selected=['entry_id'],
-            options={
-                'entry_id': Column(),
-            },
-        ),
-        filter_menus=FilterMenus(
-            options={
-                'material': FilterMenu(label='Material'),
-            }
-        ),
-    ),
+    name='Polymerization Reactions',
+    description='This app allows you to search **polymerization reactions** within NOMAD. The filter menu on the left and the shown default columns are specifically designed for polymerization reaction exploration. The dashboard directly shows useful interactive statistics about the data.',
+    app=polymerization_reaction_app,
 )

src/nomad_polymerization_reactions/apps/polymerization_reaction_app.py

@@ -0,0 +1,214 @@
+import yaml
+
+polymerization_reaction_app = yaml.safe_load(
+    """
+label: Polymerization Reaction
+path: polymerization
+category: Use Cases
+description: Search polymerization reactions
+readme: 'This page allows you to search **polymerization reactions**
+  within NOMAD. The dashboard directly shows useful
+  interactive statistics about the data.'
+filters:
+  include:
+  - '*#nomad_polymerization_reactions.schema_packages.mypackage.PolymerizationReaction'
+  exclude:
+  - mainfile
+  - entry_name
+  - combine
+filters_locked:
+  sections: nomad_polymerization_reactions.schema_packages.mypackage.PolymerizationReaction
+pagination:
+  order_by: results.properties.optoelectronic.solar_cell.efficiency
+search_syntaxes:
+  exclude:
+  - free_text
+columns:
+  selected:
+  - results.material.chemical_formula_descriptive
+  - results.properties.optoelectronic.solar_cell.efficiency
+  - results.properties.optoelectronic.solar_cell.open_circuit_voltage
+  - results.properties.optoelectronic.solar_cell.short_circuit_current_density
+  - results.properties.optoelectronic.solar_cell.fill_factor
+  - references
+  options:
+    results.material.chemical_formula_descriptive: {label: Descriptive formula}
+    results.properties.optoelectronic.solar_cell.efficiency:
+      format:
+        decimals: 2
+        mode: standard
+      label: Efficiency (%)
+    results.properties.optoelectronic.solar_cell.open_circuit_voltage:
+      format:
+        decimals: 3
+        mode: standard
+      unit: V
+    results.properties.optoelectronic.solar_cell.short_circuit_current_density:
+      format:
+        decimals: 3
+        mode: standard
+      unit: A/m**2
+    results.properties.optoelectronic.solar_cell.fill_factor:
+      format:
+        decimals: 3
+        mode: standard
+    references: {}
+    results.material.chemical_formula_hill:
+      label: Formula
+    results.material.structural_type: {}
+    results.properties.optoelectronic.solar_cell.illumination_intensity:
+      format:
+        decimals: 3
+        mode: standard
+      label: Illum. intensity
+      unit: W/m**2
+    results.eln.lab_ids: {}
+    results.eln.sections: {}
+    results.eln.methods: {}
+    results.eln.tags: {}
+    results.eln.instruments: {}
+    entry_name: {label: Name}
+    entry_type: {}
+    mainfile: {}
+    upload_create_time: {label: Upload time}
+    authors: {}
+    comment: {}
+    datasets: {}
+    published: {label: Access}
+filter_menus:
+  options:
+    material:
+      label: Absorber Material
+    elements:
+      label: Elements / Formula
+      level: 1
+      size: xl
+    structure:
+      label: Structure / Symmetry
+      level: 1
+    eln:
+      label: Electronic Lab Notebook
+    custom_quantities:
+      label: User Defined Quantities
+      size: l
+    author:
+      label: Author / Origin / Dataset
+      size: m
+    metadata:
+      label: Visibility / IDs / Schema
+    optimade:
+      label: Optimade
+      size: m
+dashboard:
+  widgets:
+  - layout:
+      lg: {h: 8, minH: 8, minW: 12, w: 12, x: 0, y: 0}
+      md: {h: 8, minH: 8, minW: 12, w: 12, x: 0, y: 0}
+      sm: {h: 8, minH: 8, minW: 12, w: 12, x: 0, y: 16}
+      xl: {h: 8, minH: 8, minW: 12, w: 12, x: 0, y: 0}
+      xxl: {h: 8, minH: 8, minW: 12, w: 13, x: 0, y: 0}
+    quantity: results.material.elements
+    scale: linear
+    type: periodictable
+  - autorange: true
+    layout:
+      lg: {h: 6, minH: 3, minW: 3, w: 12, x: 0, y: 8}
+      md: {h: 6, minH: 3, minW: 3, w: 9, x: 0, y: 8}
+      sm: {h: 5, minH: 3, minW: 3, w: 6, x: 0, y: 0}
+      xl: {h: 8, minH: 3, minW: 3, w: 9, x: 12, y: 0}
+      xxl: {h: 8, minH: 3, minW: 3, w: 12, x: 24, y: 0}
+    markers:
+      color:
+        quantity: results.properties.optoelectronic.solar_cell.short_circuit_current_density
+        unit: 'mA/cm^2'
+    size: 1000
+    type: scatterplot
+    x:
+      quantity: results.properties.optoelectronic.solar_cell.open_circuit_voltage
+    y:
+      quantity: results.properties.optoelectronic.solar_cell.efficiency
+      title: 'Efficiency (%)'
+  - autorange: true
+    layout:
+      lg: {h: 6, minH: 3, minW: 3, w: 12, x: 0, y: 14}
+      md: {h: 6, minH: 3, minW: 3, w: 9, x: 9, y: 8}
+      sm: {h: 5, minH: 3, minW: 3, w: 6, x: 6, y: 0}
+      xl: {h: 8, minH: 3, minW: 3, w: 9, x: 21, y: 0}
+      xxl: {h: 8, minH: 3, minW: 3, w: 11, x: 13, y: 0}
+    markers:
+      color:
+        quantity: results.properties.optoelectronic.solar_cell.device_architecture
+    size: 1000
+    type: scatterplot
+    x:
+      quantity: results.properties.optoelectronic.solar_cell.open_circuit_voltage
+    y:
+      quantity: results.properties.optoelectronic.solar_cell.efficiency
+      title: 'Efficiency (%)'
+  - layout:
+      lg: {h: 6, minH: 3, minW: 3, w: 6, x: 12, y: 0}
+      md: {h: 4, minH: 3, minW: 3, w: 6, x: 12, y: 4}
+      sm: {h: 6, minH: 3, minW: 3, w: 4, x: 0, y: 10}
+      xl: {h: 6, minH: 3, minW: 3, w: 6, x: 14, y: 8}
+      xxl: {h: 6, minH: 3, minW: 3, w: 6, x: 14, y: 8}
+    quantity: results.properties.optoelectronic.solar_cell.device_stack
+    scale: linear
+    showinput: true
+    type: terms
+  - autorange: true
+    layout:
+      lg: {h: 4, minH: 3, minW: 3, w: 12, x: 12, y: 12}
+      md: {h: 3, minH: 3, minW: 3, w: 8, x: 10, y: 17}
+      sm: {h: 3, minH: 3, minW: 3, w: 8, x: 4, y: 13}
+      xl: {h: 3, minH: 3, minW: 3, w: 8, x: 0, y: 11}
+      xxl: {h: 3, minH: 3, minW: 3, w: 8, x: 0, y: 8}
+    nbins: 30
+    quantity: results.properties.optoelectronic.solar_cell.illumination_intensity
+    scale: 1/4
+    showinput: true
+    type: histogram
+  - layout:
+      lg: {h: 6, minH: 3, minW: 3, w: 6, x: 18, y: 0}
+      md: {h: 4, minH: 3, minW: 3, w: 6, x: 12, y: 0}
+      sm: {h: 5, minH: 3, minW: 3, w: 4, x: 0, y: 5}
+      xl: {h: 6, minH: 3, minW: 3, w: 6, x: 8, y: 8}
+      xxl: {h: 6, minH: 3, minW: 3, w: 6, x: 8, y: 8}
+    quantity: results.properties.optoelectronic.solar_cell.absorber_fabrication
+    scale: linear
+    showinput: true
+    type: terms
+  - autorange: false
+    layout:
+      lg: {h: 4, minH: 3, minW: 8, w: 12, x: 12, y: 16}
+      md: {h: 3, minH: 3, minW: 8, w: 8, x: 10, y: 14}
+      sm: {h: 3, minH: 3, minW: 8, w: 8, x: 4, y: 10}
+      xl: {h: 3, minH: 3, minW: 8, w: 8, x: 0, y: 8}
+      xxl: {h: 3, minH: 3, minW: 8, w: 8, x: 0, y: 11}
+    nbins: 30
+    quantity: results.properties.electronic.band_structure_electronic.band_gap.value
+    title: 'Band gap'
+    scale: 1/4
+    showinput: false
+    type: histogram
+  - layout:
+      lg: {h: 6, minH: 3, minW: 3, w: 6, x: 18, y: 6}
+      md: {h: 6, minH: 3, minW: 3, w: 5, x: 0, y: 14}
+      sm: {h: 5, minH: 3, minW: 3, w: 4, x: 4, y: 5}
+      xl: {h: 6, minH: 3, minW: 3, w: 5, x: 25, y: 8}
+      xxl: {h: 6, minH: 3, minW: 3, w: 6, x: 20, y: 8}
+    quantity: results.properties.optoelectronic.solar_cell.electron_transport_layer
+    scale: linear
+    showinput: true
+    type: terms
+  - layout:
+      lg: {h: 6, minH: 3, minW: 3, w: 6, x: 12, y: 6}
+      md: {h: 6, minH: 3, minW: 3, w: 5, x: 5, y: 14}
+      sm: {h: 5, minH: 3, minW: 3, w: 4, x: 8, y: 5}
+      xl: {h: 6, minH: 3, minW: 3, w: 5, x: 20, y: 8}
+      xxl: {h: 6, minH: 3, minW: 3, w: 6, x: 26, y: 8}
+    quantity: results.properties.optoelectronic.solar_cell.hole_transport_layer
+    scale: linear
+    showinput: true
+    type: terms
+"""
+)

src/nomad_polymerization_reactions/schema_packages/mypackage.py

@@ -15,7 +15,7 @@
 from nomad.datamodel.data import ArchiveSection, Schema
 from nomad.datamodel.metainfo.annotations import ELNAnnotation, ELNComponentEnum
 from nomad.datamodel.metainfo.basesections import PublicationReference
-from nomad.metainfo import MEnum, Quantity, SchemaPackage, SubSection
+from nomad.metainfo import Quantity, SchemaPackage, SubSection
 
 configuration = config.get_plugin_entry_point(
     'nomad_polymerization_reactions.schema_packages:mypackage'