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Line breaks should be ignored for three letter sequence codes #2617

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AlexeyGirin opened this issue Nov 6, 2024 · 1 comment · Fixed by #2627 or #2628
Closed

Line breaks should be ignored for three letter sequence codes #2617

AlexeyGirin opened this issue Nov 6, 2024 · 1 comment · Fixed by #2627 or #2628
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Bug Export to Sequence Bucket: Bugs related to Export to Sequence mode Priority: High

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@AlexeyGirin
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AlexeyGirin commented Nov 6, 2024

Steps to Reproduce

  1. Go to Macro - Flex mode
  2. Load using Paste from clipboard way:
AlaAl
aCysCys

image

Actual behavior
System throws an error: Unsupported symbols: Convert error! Given string could not be loaded as (query or plain) molecule or reaction, see the error messages
image

Expected behavior
Content should be loaded correct (line breaks should be ignored):
image

As per requirement:

1.6. Within one sequence every n*3+1 letter symbol has to be uppercase.

AlaAlaCysCys is valid
AlaAl
aCysCys is valid (ignoring line breaks - requirement 1.4)
AlaAla CysCys is valid (two sequences - requirement 1.5)
AlAalaCysCys is not valid (third letter is uppercase and the fourth one is not)

Versions

  • Ketcher Version 2.27.0-rc.1 Build at 2024-11-05; 14:55:18
  • Indigo Toolkit Version 1.26.0-rc.1.0-g904d2d992-wasm32-wasm-clang-19.0.0
  • Chrome Version 130.0.6723.117 (Official Build) (64-bit)
  • Win10

Found while testing - epam/ketcher#5556, #2472

@AlexeyGirin AlexeyGirin added Bug Priority: High Export to Sequence Bucket: Bugs related to Export to Sequence mode labels Nov 6, 2024
@AlexeyGirin AlexeyGirin added this to the Indigo-1.26.0-rc.2 milestone Nov 6, 2024
@AliaksandrDziarkach AliaksandrDziarkach changed the title Line breaks should be ignored for three letter sequence codes if entire sequence follows n*3+1 letter symbol has to be uppercase pattern Line breaks should be ignored for three letter sequence codes Nov 11, 2024
@AliaksandrDziarkach AliaksandrDziarkach self-assigned this Nov 11, 2024
AliaksandrDziarkach added a commit that referenced this issue Nov 11, 2024
@AlexeyGirin
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Verified.
image

  • Ketcher Version 2.27.0-rc.2 Build at 2024-11-12; 19:26:10
  • Indigo Toolkit Version 1.26.0-rc.2.0-gfec30ecd8-wasm32-wasm-clang-19.0.0
  • Chrome Version 131.0.6778.70 (Official Build) (64-bit)
  • Win10

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