Adding a new search app with specific filter for the Perovskite Database entries

[Pepe-Marquez]

Summary by Sourcery

Add a new search application for the Perovskite Solar Cell Database with specific filtering capabilities, update the schema for better data handling, and ensure the application is correctly integrated and tested.

New Features:

• Introduce a new search application for the Perovskite Solar Cell Database, allowing users to search and filter database entries with specific criteria.

Enhancements:

• Change the data type of the 'band_gap_graded' field from string to boolean in the Perovskite schema to improve data accuracy and consistency.

Build:

• Add a new entry point for the Perovskite Solar Cell Database application in the project's configuration file.

Tests:

• Add a test to ensure the new Perovskite Solar Cell Database application can be imported without errors, verifying the integrity of the pydantic model validation.

[sourcery-ai]

Reviewer's Guide by Sourcery

This PR adds a new search application specifically for the Perovskite Database entries. The implementation includes a comprehensive UI configuration with various search filters, visualization options, and data columns. Additionally, it includes a minor schema update to change the band_gap_graded field from string to boolean type.

ER diagram for the Perovskite schema update

erDiagram
    Perovskite {
        bool band_gap_graded
        string band_gap_estimation_basis
    }

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Class diagram for the new Perovskite Database App

classDiagram
    class App {
        +String label
        +String path
        +String category
        +String description
        +SearchQuantities search_quantities
        +List~Column~ columns
        +Menu menu
        +Dashboard dashboard
        +Map~String, List~String~ filters_locked
    }
    class Column {
        +String quantity
        +Boolean selected
        +String label
        +Map~String, Object~ format
        +String unit
    }
    class Menu {
        +List~MenuItem~ items
    }
    class Dashboard {
        +Object widgets
    }
    class SearchQuantities {
        +List~String~ include
    }
    class MenuItem {
        +String title
        +MenuSizeEnum size
        +List~MenuItem~ items
    }
    class MenuItemTerms {
        +String search_quantity
        +Boolean show_input
        +Integer width
        +Integer options
        +String title
    }
    class MenuItemHistogram {
        +Axis x
        +AxisScale y
        +String title
        +Integer width
        +Boolean show_input
        +Integer nbins
    }
    class Axis {
        +String search_quantity
        +String title
        +String scale
        +String unit
    }
    class AxisScale {
        +ScaleEnum scale
    }
    App --> SearchQuantities
    App --> Column
    App --> Menu
    App --> Dashboard
    Menu --> MenuItem
    MenuItem <|-- MenuItemTerms
    MenuItem <|-- MenuItemHistogram
    MenuItemHistogram --> Axis
    MenuItemHistogram --> AxisScale

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File-Level Changes

Change	Details	Files
Added a new search application for Perovskite Database entries	Created a new app entry point with specific description and configuration Added extensive menu configuration with filters for publication, material properties, fabrication, device architecture, transport layers, and solar cell performance Configured dashboard with periodic table widget Set up detailed column definitions for search results display	src/perovskite_solar_cell_database/apps/__init__.py src/perovskite_solar_cell_database/apps/perovskite_solar_cell_database_app.py pyproject.toml
Modified the band_gap_graded field type in the schema	Changed field type from string to boolean Updated component from EnumEditQuantity to BoolEditQuantity Updated example data to use boolean value instead of string	src/perovskite_solar_cell_database/schema_sections/perovskite.py tests/data/example.archive.json
Added test coverage for the new app	Created basic import test to verify app configuration validity	tests/apps/test_solar_perovskite_solar_cell_database_app.py

Possibly linked issues

• Migration of the perovskite database from the NOMAD source code to this plugin.  #1: The PR implements a new search app related to the issue's request for multiple search apps.

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[sourcery-ai]

Hey @Pepe-Marquez - I've reviewed your changes and they look great!

Here's what I looked at during the review

• 🟡 General issues: 1 issue found
• 🟢 Security: all looks good
• 🟢 Testing: all looks good
• 🟡 Complexity: 1 issue found
• 🟢 Documentation: all looks good

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[Pepe-Marquez]

@lauri-codes: this PR adds a new search page for the perovskite database with custom filters. I might add an additional section later, but I believe it's ready for you to start reviewing from your perspective. It should work with the current solar cell entries.

The PR also includes a search page for the ions database that we’ve compiled. To test the ions entries, you can drop the .xlsx file into the test/data folder. Additionally, I’ve updated the category of the apps.

Regarding the possibility of having the plots in the left panel: for instance, in the Publication section, we could have a plot of efficiency vs. publication date, with other topical plots in subsequent sections. This way, users would have pre-configured plots under different categories that they could push to the main dashboard with the plus button, serving as both a functional feature and a source of inspiration. However, I’m completely fine with it if you think this approach isn’t ideal.

After the first deployment, I could ask people from Eva's group to give feedback on the database.

[lauri-codes]

Few small comments, also played around with the apps a bit.

In "The Perovskite Solar Cell Database" you are loading 4 scatter plots into the dashboard: this takes a while, maybe test a bit to see that the initial loading time is reasonable.

In general, I see that you are using the menus more as an extension of the dashboard: maybe we should see if that is in general a direction where we want to go.

[Pepe-Marquez]

@lauri-codes, I think it would be good to see how the 4 plots behave in production. I think if you agree we can try to deploy this and see. If not, I can try to reduce it to one or two plots in te dashboard. Would it be ok if we merge and try to deploy? @hampusnasstrom, is it also ok with you to dump the ions database in staging?

[hampusnasstrom]

I made a few small fixes in the llm-extraction-branch so I will pull those here as well.

[lauri-codes]

Yes, you can just deploy this and see how the scatter plots behave themselves in the oasis distro.