epam / Indigo

Universal cheminformatics toolkit, utilities and database search tools
http://lifescience.opensource.epam.com
Apache License 2.0
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Error message on incorrect monomer index could be better #2065

Closed AlexeyGirin closed 3 months ago

AlexeyGirin commented 3 months ago

Steps to Reproduce

  1. Go to Macromolecules mode - Flex mode
  2. Load using paste from clipboard IDT type: PEPTIDE1{A}|RNA1{R(A)P}$RNA1,PEPTIDE1,5:R2-1:R1$$$V2.0V2.0 image

Actual behavior System throws exception: Convert error! Given string could not be loaded as (query or plain) molecule or reaction, see the error messages: 'graph: can't have loop-edge on vertex 0' image This is no informative.

Expected behavior System throws exception: Convert error! Given string could not be loaded as (query or plain) molecule or reaction, see the error messages: 'Monomer index (5) in polymer (RNA1) is not found' image

Versions

Issue found while testing - https://github.com/epam/Indigo/issues/1188

AlexeyGirin commented 2 months ago

Fixed. image

AlexeyGirin commented 2 months ago

Fixed. image