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Ketcher creates invalid molfiles with "NaN" #1733

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evgeniiFrolov1 opened this issue Sep 23, 2022 · 0 comments
Closed

Ketcher creates invalid molfiles with "NaN" #1733

evgeniiFrolov1 opened this issue Sep 23, 2022 · 0 comments
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@evgeniiFrolov1
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evgeniiFrolov1 commented Sep 23, 2022

Draw the structure shown below in Ketcher. If you export it as a molfile directly from Ketcher you will see the molfile contains some "NaN" values, and you get an error if you click the "use this structure" button.

Steps to Reproduce

  1. Go to ketcher_standalone or ketcher_remote
  2. Click on Custom Templates
  3. Click on Functional Groups
  4. Choose PhCOOH
  5. Click on abriviation
  6. Click on Charge Minus (5)
  7. Click on OH
  8. Add Na to the canvas
  9. Click on Charge Plus (5)
  10. Click on Na
  11. Click on Save
  12. Choose MDL Molfile V2000

Expected behavior
Preview does not contain NaN

Actual behavior
Preview contains NaN

Screenshots
image

image

Ketcher version [e.g. v2.4.2-115-gcf0c1394].
Ketcher v2.5.2

Additional context
Add any other context about the problem here.

@evgeniiFrolov1 evgeniiFrolov1 added this to the Release 3.0.0 milestone Sep 23, 2022
evgeniiFrolov1 added a commit that referenced this issue Sep 29, 2022
…iles2000-with-NaN

move molfile 2000 processing from front to indigo
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