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Render action: saving structures as .svg and as .png incorrectly

Open nseufulina opened this issue 3 years ago • 1 comments

Scenario 1 When structure has Generic S-Group, saved structure does not have brackets Steps to reproduce:

  1. 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:

  1. 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:

  1. 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:

  1. 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:

  1. 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

nseufulina avatar Aug 16 '21 14:08 nseufulina

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.

even1024 avatar Jul 29 '22 21:07 even1024