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i-VRESSE / workflow-builder

Graphical interface to build a workflow file
https://i-vresse-workflow-builder.netlify.app/
Apache License 2.0
4 stars 2 forks source link

Make topoaa.mol parameter molecule aware #80

Closed sverhoeven closed 2 years ago

sverhoeven commented 2 years ago

The topoaa.mol parameter is not enhanced when molecules have been uploaded. It would be nice if 2 molecules where uploaded the mol parameter would show 2 sub forms. Also nested hisd, hise parameters could pick from the residue numbers of the molecules.

To test:

  1. Load example
  2. Select topoaa
  3. Expand input molecules
  4. There should be 2 sub forms
  5. The choices when adding hisd or hise for second molecule should be just 500

Includes a integration test (yarn test:integration --headed -g 'topoaa') that works because of workaround for #81 .

netlify[bot] commented 2 years ago

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sverhoeven commented 2 years ago

Thanks for reviewing