Indigo
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Render action: saving structures as .svg and as .png incorrectly
Scenario 1 When structure has Generic S-Group, saved structure does not have brackets Steps to reproduce:
- Execute /v2/indigo/render struct sstruct.zip { "smart-layout": true, "ignore-stereochemistry-errors": true, "mass-skip-error-on-pseudoatoms": false, "gross-formula-add-rsites": true, "render-output-format": "png" }
Expected result: The same structure as in sstruct.zip
Actual result: Structure without brackets
Scenario 2 Structure with R-group is not saved Steps to reproduce:
- Execute /v2/indigo/render struct rstruct.zip { "smart-layout": true, "ignore-stereochemistry-errors": true, "mass-skip-error-on-pseudoatoms": false, "gross-formula-add-rsites": true, "render-output-format": "svg" }
Expected result: The same structure as in rstruct.zip
Actual result: Structure is not saved, empty document.
Scenario 3 Saved bonds does not have Reacting Center marks.
Steps to reproduce:
- Execute /v2/indigo/render struct rcstruct.zip { "smart-layout": true, "ignore-stereochemistry-errors": true, "mass-skip-error-on-pseudoatoms": false, "gross-formula-add-rsites": true, "render-output-format": "svg" }
Expected result: The same structure as in rcstruct.zip
Actual result: Structure without reacting centers
Scenario 4 When inversion type is chosen in the atom's properties, it is not saved.
Steps to reproduce:
- Execute /v2/indigo/render struct: istruct.zip { "smart-layout": true, "ignore-stereochemistry-errors": true, "mass-skip-error-on-pseudoatoms": false, "gross-formula-add-rsites": true, "render-output-format": "svg" }
Expected result: The same structure as in istruct.zip
Actual result: Structure without Inv property
Scenario 5 Structure with R-group saved without brackets Steps to reproduce:
- Execute /v2/indigo/render struct: bstruct.zip
{ "smart-layout": true, "ignore-stereochemistry-errors": true, "mass-skip-error-on-pseudoatoms": false, "gross-formula-add-rsites": true, "render-output-format": "svg" }
Expected result: The same structure as in bstruct.zip
Actual result: Structure without brackets
All applied to "render-output-format": "svg" and "png" both
Scenario 1 and 2 are Fixed in 1.8.0. For 3 and 4 it's necessary to create separate feature requests. For scenario 5 the brackets are optional.