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* Add rdkit image to router (not working? ignoring prefix/namespace?) Add api to make rdkit produce SVGs Add optional extra flavor for rdkit in setup.py Add tests (working in a standalone project) Add models for molecule parsing Add utils for rdkit-stuff * Reformat + fix imports (via make format) Add prefix/namespace-functionality to visyn_server in the same way, flask has it Cleanup tests * Make tests not run if you don't have rdkit * Fix linter errors * Change tag from default (none) to images and change docstring (from "todo move" to actual) * Make rdkit mandatory * Remove router namespace support for fastapi and add warning if it's used Remove murcko wrapper Remove unneccesary fastapi object creation Remove create_api in img_api Add app via init_app instead of via registry * Changed path form /image/ to /rdkit/ Changed kind of parameters from url params to query params, i.e. /rdkit/C -> /rdkit/?structure=C due to slashes Adapted tests Better / more correct type hints * Change to return no content (+ proper no content response code) * Fix imports * Add structured image column, renderer, and filter dialog for SMILES strings to ranking (#755) * Add molecule column + renderer for LineUp #741 * Implement fetch structured image #741 * Add SMILES renderer and column to Ranking.tsx #741 * Adapt to latest rdkit API changes * Add custom structure image filter dialog (wip) * Add loading icon + error msg to filter dialog * Remove orphan import * Fix linter warnings and improve code * Deny to set string filter * Fix lint * Fix `filter = null` case * Rename folder to `structureImage` and add index.ts * Update dist files * Add empty summary renderer Otherwise an error is thrown when switching visualizations for the smiles column * Fix lint * Nest structured image i18n strings * Set default column width for smiles column * Set row height based on smiles column width * Set min/max domain for number col domain Related to #718 The parameter default, i.e. `min = Number.NaN`, is only used if the parameter is `undefined`. However, when the parameter is `null` it does not assign `Number.NaN`. With this commit `null` and `undefined` result in `Number.NaN`. * Set default summary renderer for smiles col * StructuredImageColumn extends ValueColumn - Removes all string related dialogs and functionality (e.g., group, sort, ...) - Add rename dialog - Remove `order` to default -> in menu: rename then filter Co-authored-by: Michael Puehringer <[email protected]> Co-authored-by: Michael Pühringer <[email protected]> * Minor improvements and feedback incorporation Co-authored-by: Holger Stitz <[email protected]> Co-authored-by: Michael Puehringer <[email protected]> Co-authored-by: Michael Pühringer <[email protected]>
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