SmartAdd

Wireframe

https://www.figma.com/file/mpZ5QeOaOpkj3AaPeoKaus/Wireframes?type=design&node-id=109-13398&mode=design&t=2xpSfEaSiHmBlR47-0

Mockups

https://www.figma.com/file/Iczx5uvb1oGyjQ0FQVv3ob/Mockups?type=design&node-id=351-23224&mode=design&t=C9tyBdwB37KDZwh5-0

Setup

1. Install asdf
2. asdf plugin add nodejs
3. asdf plugin add pnpm
4. Install packages with the right version using asdf install

Used dependencies

• Node.js, version 18.17.1 (LTS)
• pnpm, version 8.8.0

Production

The project is hosted at https://vercel.com/cleaner-code/smart-add

Development

First, run the development server:

pnpm dev

Open http://localhost:3000 with your browser to see the result.

Testing

Cypress is used for E2E and component tests.

Why Cypress: https://docs.cypress.io/guides/overview/why-cypress Configuration: https://docs.cypress.io/guides/references/configuration

To run the testing suite headless in the background, just run

pnpm e2e:headless

for E2E tests or

pnpm component:headless

for component tests.

Linting

For linting the codebase, ESLint and strict rulesets for Next.js and TypeScript are used for increasing code quality and consistency.

To run the linting, just run

pnpm lint

or

pnpm lint --fix

to automatically fix problems.

Parsing spreadsheets

Accepted spreadsheet file extensions: https://docs.sheetjs.com/docs/miscellany/formats

Elements can be nested, e.g. 2 samples with 3 analyses in 1 reaction. For each element an own sheet should exist.

Reaction

• r short label
• description
• temperature
• duration

Sample

• residue_type
• decoupled
• molecular mass (decoupled)
• sum formula (decoupled)
• stereo_abs
• stereo_rel
• cas|image
• sample name
• molecule name
• sample external label
• short label
• description
• real amount
• real unit
• target amount
• target unit
• molarity_value
• density
• molfile
• solvent
• location
• secret
• sample readout
• melting pt
• boiling pt
• created_at
• updated_at
• user_labels
• literatures
• canonical smiles

Analysis

• sample name
• sample external label
• short label
• name
• description
• uuid
• kind
• status
• content
• dataset name
• instrument
• dataset description
• filename
• checksum

Error handling

An item will not be displayed or thrown an error message when one of the following conditions will be fulfilled:

• when one header items differs from the default
• when content of a cell is of a different type

Export.json structure

Reaction

(Labimotion Classes are not required for the import to work)

• Labimotion::ElementKlass
• Labimotion::SegmentKlass
• Labimotion::DatasetKlass
• Collection
• Sample
• CollectionsSample
• Fingerprint
• Molecule
• MoleculeName
• Container
• Labimotion::Dataset
• Attachment
• Reaction
• CollectionsReaction
• ReactionsStartingMaterialSample
• ReactionsReactantSample
• ReactionsProductSample

Sample

• Collection
• Sample
• CollectionsSample
• Fingerprint
• Molecule
• MoleculeName
• Container
• Attachment

Analysis

• Dataset
• Attachment

The container type of a Container can be one of the following types:

• analysis
• analyses
• dataset

Also, Container has extended_metadata where the following information is saved:

• kind
• index
• report
• status
• instrument

If container_type is a analysis, it additionally has the following attribute inside of extended_metadata:

• content

If container_type is null, the object is either a sample or a reaction.

Export.json structure relations

erDiagram
    COLLECTION {
        string collection_id
    }
    COLLECTIONS-SAMPLE {
        string sample_id
    }
    COLLECTIONS-REACTION {
        string reaction_id
    }
    SAMPLE {
        string sample_id
    }
    REACTION {
        string reaction_id
    }
    MOLECULE {
        string molecule_id
    }
    MOLECULE-NAME {
        string molecule_name_id
    }
    FINGERPRINT {
        string fingerprint_id
    }
    CONTAINER {
        string containable_id
    }
    ATTACHMENT {
        string attachable_id
    }
    ANALYSES {
        string ancestry
    }
    ANALYSIS {
        string analysis_id
    }
    
    COLLECTION ||--o{ COLLECTIONS-SAMPLE : "collection_id"
    COLLECTION ||--o{ COLLECTIONS-REACTION : "collection_id"
    COLLECTIONS-SAMPLE ||--|| SAMPLE : "sample_id"
    COLLECTIONS-REACTION ||--|| REACTION : "reaction_id"
    SAMPLE ||--o{ ANALYSES : "ancestry"
    REACTION ||--o{ ANALYSES : "ancestry"
    SAMPLE ||--|| MOLECULE : "molecule_id"
    MOLECULE ||--|| MOLECULE-NAME : "molecule_name_id"
    MOLECULE ||--|| FINGERPRINT : "fingerprint_id"
    REACTION ||--|| CONTAINER : "containable_id"
    CONTAINER ||--o{ ATTACHMENT : "attachable_id"
    ANALYSES ||--|{ ANALYSIS : "analysis_id"

Loading