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Implement add/remove explicit hydrogens #3685

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AlexanderSavelyev opened this issue Dec 11, 2023 · 2 comments · Fixed by #3708
Closed

Implement add/remove explicit hydrogens #3685

AlexanderSavelyev opened this issue Dec 11, 2023 · 2 comments · Fixed by #3708
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@captain2b
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query features phase II
Milestone
Ketcher 2.18.0-rc.2

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@AlexanderSavelyev
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AlexanderSavelyev commented Dec 11, 2023 •
edited by Andrey-Antonov
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Background
Need to convert all implicit hydrogens to explicit (and back)

Solution

  • Create a button (after Calculate Values)

  • Label: "Add/Remove explicit hydrogens"

  • Icon: "H" (UX TODO)
    Hide hydrogens

  • The backend function convert_explicit_hydrogens(struct, auto) should be called to add/remove hydrogens (TODO link to Indigo ticket)
@AlexanderSavelyev AlexanderSavelyev assigned Nitvex and captain2b and unassigned Nitvex Dec 11, 2023
@AlexeyGirin
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AlexeyGirin commented Dec 14, 2023 •
edited
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Temporary solution - execute Layout function to make layout perfect (currently - all H's has the same coordinates, so it looks bad)

After Layout applied:
image

@AliaksandrDziarkach will fix backend side (i.e. Indigo) in task epam/Indigo#1436

captain2b added a commit that referenced this issue Dec 15, 2023
@captain2b
#3685 Implement add/remove explicit hydrogens WIP
d5a958f
@captain2b captain2b linked a pull request Dec 15, 2023 that will close this issue
#3685 – Implement add/remove explicit hydrogens #3708
Merged
9 tasks
captain2b added a commit that referenced this issue Dec 15, 2023
@captain2b
#3685 Implement add/remove explicit hydrogens update molecule view sn…
67b1bb9 
…apshots
captain2b added a commit that referenced this issue Dec 15, 2023
@captain2b
#3685 Implement add/remove explicit hydrogens update macro view snaps…
32c61c9 
…hots
captain2b added a commit that referenced this issue Dec 15, 2023
@captain2b
#3685 Implement add/remove explicit hydrogens update molecules view s…
f9f344e 
…napshots
captain2b added a commit that referenced this issue Dec 18, 2023
@captain2b
#3685 Implement add/remove explicit hydrogens small fixes, add tests
5837ac6
captain2b added a commit that referenced this issue Dec 18, 2023
@captain2b
#3685 Implement add/remove explicit hydrogens small fixes, add tests
f1044ce
captain2b added a commit that referenced this issue Dec 18, 2023
@captain2b
#3685 Implement add/remove explicit hydrogens update test data after …
108eac7 
…indigo change
@Andrey-Antonov
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Hide hydrogens

captain2b added a commit that referenced this issue Jan 8, 2024
@captain2b
#3685 Implement add/remove explicit hydrogens update icon
cb51f3c
captain2b added a commit that referenced this issue Jan 8, 2024
@captain2b
#3685 Implement add/remove explicit hydrogens WIP
872c777
captain2b added a commit that referenced this issue Jan 8, 2024
@captain2b
#3685 Implement add/remove explicit hydrogens update molecule view sn…
3457ae6 
…apshots
captain2b added a commit that referenced this issue Jan 8, 2024
@captain2b
#3685 Implement add/remove explicit hydrogens update molecules view s…
510bafd 
…napshots
captain2b added a commit that referenced this issue Jan 8, 2024
@captain2b
#3685 Implement add/remove explicit hydrogens small fixes, add tests
242bed3
captain2b added a commit that referenced this issue Jan 8, 2024
@captain2b
#3685 Implement add/remove explicit hydrogens update icon
7c26c0b
captain2b added a commit that referenced this issue Jan 10, 2024
@captain2b
#3685 Implement add/remove explicit hydrogens small fix
0bd0e57
captain2b added a commit that referenced this issue Jan 11, 2024
@captain2b
#3685 Implement add/remove explicit hydrogens WIP
860b7fb
captain2b added a commit that referenced this issue Jan 11, 2024
@captain2b
#3685 Implement add/remove explicit hydrogens update molecule view sn…
383b5db 
…apshots
captain2b added a commit that referenced this issue Jan 11, 2024
@captain2b
#3685 Implement add/remove explicit hydrogens update molecules view s…
295ab16 
…napshots
captain2b added a commit that referenced this issue Jan 11, 2024
@captain2b
#3685 Implement add/remove explicit hydrogens small fixes, add tests
eac3996
captain2b added a commit that referenced this issue Jan 11, 2024
@captain2b
#3685 Implement add/remove explicit hydrogens update icon
669704e
captain2b added a commit that referenced this issue Jan 11, 2024
@captain2b
#3685 Implement add/remove explicit hydrogens small fix
6dee894
captain2b added a commit that referenced this issue Jan 12, 2024
@captain2b
#3685 Implement add/remove explicit hydrogens update macro view snapshot
4f65124
captain2b added a commit that referenced this issue Jan 12, 2024
@captain2b
#3685 Implement add/remove explicit hydrogens WIP
f8da4e5
captain2b added a commit that referenced this issue Jan 12, 2024
@captain2b
#3685 Implement add/remove explicit hydrogens update snapshots
6df06d3
captain2b added a commit that referenced this issue Jan 12, 2024
@captain2b
#3685 Implement add/remove explicit hydrogens small fixes, add tests
9914da5
captain2b added a commit that referenced this issue Jan 12, 2024
@captain2b
#3685 Implement add/remove explicit hydrogens update icon
0846378
captain2b added a commit that referenced this issue Jan 12, 2024
@captain2b
#3685 Implement add/remove explicit hydrogens small fix
6c0e031
captain2b added a commit that referenced this issue Jan 12, 2024
@captain2b
#3685 Implement add/remove explicit hydrogens update icon
1a210a7
captain2b added a commit that referenced this issue Jan 12, 2024
@captain2b
#3685 Implement add/remove explicit hydrogens add new functionality
08c855b
captain2b added a commit that referenced this issue Jan 12, 2024
@captain2b
#3685 Implement add/remove explicit hydrogens update snapshots
d2cb0aa
captain2b added a commit that referenced this issue Jan 12, 2024
@captain2b
#3685 Implement add/remove explicit hydrogens add new functionality
606380b
captain2b added a commit that referenced this issue Jan 12, 2024
@captain2b
#3685 Implement add/remove explicit hydrogens update snapshots
1f23e55
captain2b added a commit that referenced this issue Jan 14, 2024
@captain2b
#3685 Implement add/remove explicit hydrogens add new functionality
9242b86
captain2b added a commit that referenced this issue Jan 14, 2024
@captain2b
#3685 Implement add/remove explicit hydrogens update snapshots
6baad6f
captain2b added a commit that referenced this issue Jan 15, 2024
@captain2b
#3685 Implement add/remove explicit hydrogens add new functionality
be11a67
captain2b added a commit that referenced this issue Jan 15, 2024
@captain2b
#3685 Implement add/remove explicit hydrogens update snapshots
3a6e827
Nitvex pushed a commit that referenced this issue Jan 15, 2024
@captain2b
#3685 – Implement add/remove explicit hydrogens (#3708)
c463d6e 
* #3685 Implement add/remove explicit hydrogens add new functionality

* #3685 Implement add/remove explicit hydrogens update snapshots
captain2b added a commit that referenced this issue Jan 16, 2024
@captain2b
Backmerge: #3685 Implement add/remove explicit hydrogens add new func…
0c602b5 
…tionality
captain2b added a commit that referenced this issue Jan 16, 2024
@captain2b
Backmerge:#3685 Implement add/remove explicit hydrogens update snapshots
83c4fc3
Nitvex pushed a commit that referenced this issue Jan 16, 2024
@captain2b
Backmerge: #3685 – implement addremove explicit hydrogens (#3904)
5b17744 
* Backmerge: #3685 Implement add/remove explicit hydrogens add new functionality

* Backmerge:#3685 Implement add/remove explicit hydrogens update snapshots
@Nitvex Nitvex closed this as completed Jan 16, 2024
This was referenced Jan 22, 2024
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@AlexeyGirin AlexeyGirin mentioned this issue Feb 2, 2024
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@ViktoriaTkacheva ViktoriaTkacheva mentioned this issue Mar 15, 2024
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query features phase II
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#3685 – Implement add/remove explicit hydrogens epam/ketcher
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@AlexanderSavelyev @captain2b @vanoprenko @AlexeyGirin @Nitvex @Andrey-Antonov