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Macro: Send monomer library from Ketcher to Indigo upon monomers import/export #4311

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rrodionov91 opened this issue Mar 21, 2024 · 4 comments · Fixed by #4558
Closed

Macro: Send monomer library from Ketcher to Indigo upon monomers import/export #4311

rrodionov91 opened this issue Mar 21, 2024 · 4 comments · Fixed by #4558
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@ilya-asiyuk-epam
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feature request Monomer Library Test Cases Written Test cases has been written for that issue
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Ketcher 2.22.0-rc.2

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@rrodionov91
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rrodionov91 commented Mar 21, 2024 •
edited by ilya-asiyuk-epam
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Background
It needs to send monomer library with idt aliases to indigo during import/export of monomers to match monomers/presets from Ketcher library to (mol v3000, sequence, fasta, idt) library.

Solution
It needs to add additional field to import/export request parameters which will contain all monomers library from Ketcher.
Library should be sent entirely, in ket format, with each import/export request.
The name of field to send to indigo is monomerLibrary in payload root.
Changes should affect only those import/export that contain macromolecules. Other formats should not be changed.
@rrodionov91 rrodionov91 added this to the Ketcher 2.22.0-rc.1 milestone Mar 21, 2024
@vanoprenko
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This should be implemented for all formats supporting macromolecules, not only IDT.

@vanoprenko vanoprenko changed the title Macro: Send monomer library from Ketcher to Indigo upon IDT import/export Macro: Send monomer library from Ketcher to Indigo upon monomers import/export Mar 29, 2024
@ilya-asiyuk-epam ilya-asiyuk-epam self-assigned this Apr 23, 2024
ilya-asiyuk-epam added a commit that referenced this issue Apr 30, 2024
@ilya-asiyuk-epam
#4311 - Macro: Send monomer library from Ketcher to Indigo upon monom…
2c795c4 
…ers import/export
@ilya-asiyuk-epam ilya-asiyuk-epam linked a pull request Apr 30, 2024 that will close this issue
#4311 - Macro: Send monomer library from Ketcher to Indigo upon monomers import/export #4558
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ilya-asiyuk-epam added a commit that referenced this issue Apr 30, 2024
@ilya-asiyuk-epam
#4311 - Macro: Send monomer library from Ketcher to Indigo upon monom…
264904f 
…ers import/export
ilya-asiyuk-epam added a commit that referenced this issue Apr 30, 2024
@ilya-asiyuk-epam
#4311 - Macro: Send monomer library from Ketcher to Indigo upon monom…
f7a3047 
…ers import/export
@ilya-asiyuk-epam
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Development on Ketcher side is on pause.
Not implemented on Indigo side.
Indigo should allow adding 'monomerLibrary' to 'options'
ml2

ilya-asiyuk-epam added a commit that referenced this issue Apr 30, 2024
@ilya-asiyuk-epam
#4311 - Macro: Send monomer library from Ketcher to Indigo upon monom…
d80ed45 
…ers import/export
@AlexeyGirin
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No test cases needed for that particular issue

@AlexeyGirin AlexeyGirin added the Test Cases Written Test cases has been written for that issue label May 7, 2024
rrodionov91 pushed a commit that referenced this issue May 17, 2024
@ilya-asiyuk-epam @rrodionov91
#4311 - Macro: Send monomer library from Ketcher to Indigo upon monom…
58edae0 
…ers import/export
ilya-asiyuk-epam added a commit that referenced this issue May 20, 2024
@ilya-asiyuk-epam
#4311 - Macro: Send monomer library from Ketcher to Indigo upon monom…
831184e 
…ers import/export
ilya-asiyuk-epam added a commit that referenced this issue May 24, 2024
@ilya-asiyuk-epam
#4311 - Macro: Send monomer library from Ketcher to Indigo upon monom…
79d1882 
…ers import/export
ilya-asiyuk-epam added a commit that referenced this issue May 30, 2024
@ilya-asiyuk-epam
#4311 - Macro: Send monomer library from Ketcher to Indigo upon monom…
2a6b317 
…ers import/export
ilya-asiyuk-epam added a commit that referenced this issue May 31, 2024
@ilya-asiyuk-epam
#4311 - Macro: Send monomer library from Ketcher to Indigo upon monom…
447c6b3 
…ers import/export
ilya-asiyuk-epam added a commit that referenced this issue May 31, 2024
@ilya-asiyuk-epam
Merge pull request #4558 from epam/4311-macro-send-monomer-library-fr…
d6306c3 
…om-ketcher-to-indigo-upon-monomers-import-export

#4311 - Macro: Send monomer library from Ketcher to Indigo upon monomers import/export
@AlexeyGirin
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Verified.

  • Indigo Toolkit Version 1.21.0-rc.1.0-g9194599b2-wasm32-wasm-clang-19.0.0
  • Ketcher Version 2.22.0-rc.2 Build at 2024-06-03; 18:43:00
  • Chrome Version 125.0.6422.142 (Official Build) (64-bit)
  • Windows 10

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feature request Monomer Library Test Cases Written Test cases has been written for that issue
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#4311 - Macro: Send monomer library from Ketcher to Indigo upon monomers import/export epam/ketcher
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@rrodionov91 @vanoprenko @AlexeyGirin @olganaz @ilya-asiyuk-epam