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System saves mixture ambiguous monomers as alternatives ambiguous monomers #5512

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AlexeyGirin opened this issue Sep 4, 2024 · 2 comments · Fixed by #5516 or #5522
Closed

System saves mixture ambiguous monomers as alternatives ambiguous monomers #5512

AlexeyGirin opened this issue Sep 4, 2024 · 2 comments · Fixed by #5516 or #5522
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bug Flex mode Bucket: Flex canvas related mode HELM Bucket: Bugs related to Export to HELM format Priority: High

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@AlexeyGirin
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AlexeyGirin commented Sep 4, 2024

Steps to Reproduce

  1. Toggle to Macro - Flex
  2. Load from clipboard way: PEPTIDE1{(D,N,I)}$$$$V2.0
  3. Load from clipboard way: PEPTIDE1{(D+N+I)}$$$$V2.0
    image
  4. Save canvas to HELM

Actual behavior
System saves both monomer as alternatives
image

Expected behavior
Resulted HELM should be PEPTIDE1{(D,N,I)}|PEPTIDE2{(D+N+I)}$$$$V2.0

Versions

  • Ketcher Version 2.25.0-rc.1 Build at 2024-09-03; 15:31:03
  • Indigo Toolkit Version 1.24.0-rc.1.0-gb8f099851-wasm32-wasm-clang-19.0.0
  • Chrome Version 128.0.6613.114 (Official Build) (64-bit)
  • Win10

Reference issues: epam/Indigo#2188

@AlexeyGirin AlexeyGirin added bug Priority: High HELM Bucket: Bugs related to Export to HELM format Flex mode Bucket: Flex canvas related mode labels Sep 4, 2024
@AlexeyGirin AlexeyGirin changed the title PEPTIDE1{(D,N,I)}$$$$V2.0 System saves mixture ambiguous monomers as alternatives ambiguous monomers Sep 4, 2024
@AlexeyGirin AlexeyGirin transferred this issue from epam/ketcher Sep 5, 2024
@AliaksandrDziarkach AliaksandrDziarkach transferred this issue from epam/Indigo Sep 13, 2024
@AliaksandrDziarkach
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AliaksandrDziarkach commented Sep 13, 2024

Ketcher generate ket with only one template:

{
    "root": {
        "nodes": [
            {
                "$ref": "monomer89"
            },
            {
                "$ref": "monomer90"
            }
        ],
        "connections": [],
        "templates": [
            {
                "$ref": "ambiguousMonomerTemplate-_D___Aspartic acid_N___Asparagine_I___Isoleucine"
            },
            {
                "$ref": "monomerTemplate-D___Aspartic acid"
            },
            {
                "$ref": "monomerTemplate-N___Asparagine"
            },
            {
                "$ref": "monomerTemplate-I___Isoleucine"
            }
        ]
    },
    "monomer89": {
        "type": "ambiguousMonomer",
        "id": "89",
        "position": {
            "x": 9.52500000000001,
            "y": -8.9
        },
        "alias": "%",
        "templateId": "_D___Aspartic acid_N___Asparagine_I___Isoleucine"
    },
    "ambiguousMonomerTemplate-_D___Aspartic acid_N___Asparagine_I___Isoleucine": {
        "type": "ambiguousMonomerTemplate",
        "id": "_D___Aspartic acid_N___Asparagine_I___Isoleucine",
        "alias": "%",
        "subtype": "alternatives",
        "options": [
            {
                "templateId": "D___Aspartic acid"
            },
            {
                "templateId": "N___Asparagine"
            },
            {
                "templateId": "I___Isoleucine"
            }
        ]
    },

@rrodionov91 rrodionov91 self-assigned this Sep 16, 2024
rrodionov91 added a commit that referenced this issue Sep 16, 2024
…uous monomers

- fixed template id generation for ambiguous monomers
rrodionov91 added a commit that referenced this issue Sep 16, 2024
…uous monomers (#5516)

- fixed template id generation for ambiguous monomers
rrodionov91 added a commit that referenced this issue Sep 16, 2024
…uous monomers (#5516)

- fixed template id generation for ambiguous monomers
rrodionov91 added a commit that referenced this issue Sep 17, 2024
…uous monomers (#5522)

- fixed template id generation for ambiguous monomers
@AlexeyGirin
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Verified.
image
Versions

  • Ketcher Version 2.25.0-rc.3 Build at 2024-09-18; 16:24:03
  • Indigo Toolkit Version 1.24.0-rc.3.0-g692080c62-wasm32-wasm-clang-19.0.0
  • Chrome Version 129.0.6668.59 (Official Build) (64-bit)
  • Win10

Guch1g0v pushed a commit that referenced this issue Oct 17, 2024
…uous monomers (#5522)

- fixed template id generation for ambiguous monomers
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Labels
bug Flex mode Bucket: Flex canvas related mode HELM Bucket: Bugs related to Export to HELM format Priority: High
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