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If structure contains SRU-Group User can't click 'Calculated Values' button - nothing happens after clicking. #215

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Ksanjara opened this issue Dec 28, 2020 · 2 comments · Fixed by #252
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@Ksanjara
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Affected Version: Standalone , Remote (Multiple S-Groups)
Steps to Reproduce:

  1. Create chain structure.
  2. Add SRU-polymer S-Group.
  3. Click 'Calculated Values' button.

Expected Result:
In 'Chemical Formula' field displays correct formula, all another fields contains message: "error: Cannot calculate mass for structure with repeating units"
remote

Actual Result:
If structure contains SRU-Group User can't click 'Calculated Values' button - nothing happens after clicking. The same behavior is with Multiple S-Groups that are on the end of Structure. (Multiple S-Groups behavior reproduces in Remote mode too.)

@ensemenova
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Here is 2 independent cases.

  1. Standalone and SRU-Group in the middle. Caused by Indigo JS and server version returns different response in case of error in molecule  Indigo#299. When the linked ticket will be fixed, behavior would be the same as on Remote
  2. Standalone and Remove and SRU-Group at the end of the structure. Caused by invalid molecule structure, in this case molecule even couldn't be saved. Enhancement suggested Add a marker on UI which shows if current molecule is valid or not #251

For now both cases were improved with showing error message to user.

ensemenova added a commit that referenced this issue Jan 19, 2021
AndreiMazol pushed a commit that referenced this issue Jan 19, 2021
… values (#252)

* Show alert message if error is thrown

* Move todo to separate line
@Ksanjara
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Issue is closed as partially fixed.
When Structure contains SRU-polymer group on the end of Structure now error message appears.
When Structure in Standalone mode contains SRU-polymer group in the middle of Structure - 'Calculated Values' window opens with zero values.

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3 participants