epam / Indigo

Universal cheminformatics toolkit, utilities and database search tools
http://lifescience.opensource.epam.com
Apache License 2.0
290 stars 99 forks source link

Roll back SEQID changes in MOL export (18 failed autotests - CHEMs on the canvas) #2021

Closed AlexeyGirin closed 4 days ago

AlexeyGirin commented 6 days ago

Summary After some changes system adds SEQID to mol file export content that is wrong. Have to be rolled back (as agreed on the meeting)

Steps to Reproduce

  1. Load from file: 01 - (R1) - Left only.zip
  2. Export canvas to mol v3000
  3. Open resulted file in notepad

Actual behavior image Note that export result contains SEQID attribute

Expected behavior No SEQID attribute in resulted file

Environment details: Ketcher version [Version 2.22.0-rc.8] Indigo version [Version 1.21.0-rc.2]

AlexeyGirin commented 2 days ago

Fixed. image