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MDL Molfile v3000: when opening files containing 'Salts an Solvents', names are truncated and abbreviation is expanded #965

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Zhirnoff opened this issue Jan 4, 2023 · 1 comment · Fixed by #1125
Closed

MDL Molfile v3000: when opening files containing 'Salts an Solvents', names are truncated and abbreviation is expanded #965

Zhirnoff opened this issue Jan 4, 2023 · 1 comment · Fixed by #1125
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@even1024
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Bug
Projects
Indigo
Milestone
Indigo-1.12.0-rc.1

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@Zhirnoff
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Zhirnoff commented Jan 4, 2023 •
edited

Steps to Reproduce

  1. Launch Ketcher
  2. Put any "Salts and Solvents" whose names contain spaces on canvas
  3. Save as MDL Mol v3000
  4. Open or Paste from Clipboard
    Note: In MDL Molfile v3000 the name of the superatoms must be quoted if there are spaces.
    Abbreviations are expanded because the name changes and they become unidentified.
    2023-01-04_18h06_31
    MicrosoftTeams-image (1)

Expected behavior
When opening files containing 'Salts an Solvents', the names are not truncated at the first space in the name and the abbreviation is parsed as it was saved

Actual behavior
When opening files containing 'Salts an Solvents', the names are truncated at the first space in the name and the abbreviation is parsed expanded

Attachments

2023-01-04_18h04_07.mp4

Indigo/Bingo version
Indigo Toolkit
Version 1.9.0-rc.2.0-g40c4e3793-x86_64-linux-gnu-11.2.1

Additional context
Related Ketcher issue: epam/ketcher#2143
@Zhirnoff Zhirnoff added this to the indigo-1.9.0 milestone Jan 4, 2023
@Zhirnoff Zhirnoff added this to Product Backlog in Indigo via automation Jan 4, 2023
@vanoprenko vanoprenko changed the title MDL Molfile v3000: When opening files containing 'Salts an Solvents', the names are truncated at the first space in the name and the abbreviation is parsed expanded MDL Molfile v3000: when opening files containing 'Salts an Solvents', names are truncated and abbreviation is expanded Jan 5, 2023
@even1024 even1024 closed this as completed Jan 6, 2023
Indigo automation moved this from Product Backlog to Done Jan 6, 2023
@even1024 even1024 moved this from Done to Product Backlog in Indigo Jan 9, 2023
@even1024 even1024 reopened this Jan 9, 2023
@even1024 even1024 removed the rc3 label Jan 9, 2023
@even1024 even1024 linked a pull request Feb 21, 2023 that will close this issue
#965 MDL Molfile v3000: when opening files containing 'Salts an Solvents', names are truncated and abbreviation is expanded #1046
Merged
Indigo automation moved this from Product Backlog to Done Feb 21, 2023
@vanoprenko vanoprenko mentioned this issue Feb 24, 2023
Closed
even1024 added a commit that referenced this issue Feb 27, 2023
@even1024
#965 MDL Molfile v3000: when opening files containing 'Salts an Solve…
0a65538 
…nts', names are truncated and abbreviation is expanded (#1046)

* molecule label

* molecule label

---------

Co-authored-by: Roman Porozhnetov <roman_porozhnetov@epam.com>
@Zhirnoff
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Zhirnoff commented May 4, 2023

The second half of the Salts and Solvents name is lost and quotes appear in the first part of the name.

2023-05-04_20h23_40.mp4

@Zhirnoff Zhirnoff reopened this May 4, 2023
Indigo automation moved this from Done to Product Backlog May 4, 2023
@Zhirnoff Zhirnoff moved this from Product Backlog to To Do in Indigo May 4, 2023
@even1024 even1024 moved this from To Do to Done in Indigo May 4, 2023
@even1024 even1024 removed a link to a pull request May 4, 2023
#965 MDL Molfile v3000: when opening files containing 'Salts an Solvents', names are truncated and abbreviation is expanded #1046
Merged
@even1024 even1024 linked a pull request May 4, 2023 that will close this issue
#965 MDL Molfile v3000: when opening files containing 'Salts an Solvents', names are truncated and abbreviation is expanded #1125
Merged
Wadym pushed a commit that referenced this issue May 8, 2023
@even1024
#965 MDL Molfile v3000: when opening files containing 'Salts an Solve…
9cbb88a 
…nts', names are truncated and abbreviation is expanded (#1125)
Wadym pushed a commit that referenced this issue May 9, 2023
@even1024 @Wadym
#965 MDL Molfile v3000: when opening files containing 'Salts an Solve…
b90b801 
…nts', names are truncated and abbreviation is expanded (#1125)
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@even1024 even1024

Labels
Bug
Projects
Indigo
  
Done
Milestone
Indigo-1.12.0-rc.1
2 participants
@even1024 @Zhirnoff