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Draw ring structure at different angle #10

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tomyan112 opened this issue Jan 9, 2020 · 11 comments
Closed

Draw ring structure at different angle #10

tomyan112 opened this issue Jan 9, 2020 · 11 comments
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Enhancement Implementation does not match users expectation Implemented Implemented, but may not be released yet

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@tomyan112
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In previous version, ring structure can be drawn at different angle by long press and then rotate.
image

@deadlyvices
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deadlyvices commented Jan 9, 2020 via email

@tomyan112
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This is by design in ACME. You have two options if you want to rotate the ring: 1. Drop the ring as it is placed by default. Switch to Select mode. Then double click an atom and use the molecule selector to rotate it 2. Use the variable ring tool to draw the ring: as you move the mouse the placeholder will rotate. Does this meet your requirements?

On Thu, 9 Jan 2020 at 13:16, tomyan112 @.***> wrote: In previous version, ring structure can be drawn at different angle by long press and then rotate. [image: image] https://user-images.githubusercontent.com/9064351/72070788-4f920e80-3325-11ea-9b4a-749d797b7214.png — You are receiving this because you are subscribed to this thread. Reply to this email directly, view it on GitHub <#10?email_source=notifications&email_token=ACM3QMVBHXKGMUX6ROUG6HTQ44PTNA5CNFSM4KEYCTCKYY3PNVWWK3TUL52HS4DFUVEXG43VMWVGG33NNVSW45C7NFSM4IFBYAFQ>, or unsubscribe https://github.com/notifications/unsubscribe-auth/ACM3QMR3K7GRXSOH4IVAARTQ44PTNANCNFSM4KEYCTCA .
-- Clyde
I see it now. Maybe showing how much angle?
image

@MikeWilliams-UK MikeWilliams-UK added the Enhancement Implementation does not match users expectation label Jan 9, 2020
@deadlyvices
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We could do that. It should also be possible to vary the ring angle by-click-dragging as you suggest.

@tomyan112
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tomyan112 commented Jan 9, 2020

This is by design in ACME. You have two options if you want to rotate the ring: 1. Drop the ring as it is placed by default. Switch to Select mode. Then double click an atom and use the molecule selector to rotate it 2. Use the variable ring tool to draw the ring: as you move the mouse the placeholder will rotate. Does this meet your requirements?

On Thu, 9 Jan 2020 at 13:16, tomyan112 @.***> wrote: In previous version, ring structure can be drawn at different angle by long press and then rotate. [image: image] https://user-images.githubusercontent.com/9064351/72070788-4f920e80-3325-11ea-9b4a-749d797b7214.png — You are receiving this because you are subscribed to this thread. Reply to this email directly, view it on GitHub <#10?email_source=notifications&email_token=ACM3QMVBHXKGMUX6ROUG6HTQ44PTNA5CNFSM4KEYCTCKYY3PNVWWK3TUL52HS4DFUVEXG43VMWVGG33NNVSW45C7NFSM4IFBYAFQ>, or unsubscribe https://github.com/notifications/unsubscribe-auth/ACM3QMR3K7GRXSOH4IVAARTQ44PTNANCNFSM4KEYCTCA .
-- Clyde

For 2, it is difficult to know if the ring drawn is horizontally aligned or not because the user can't feel the magnetic snap. I can't find a word to explain it. Sorry for being pedantic.
image
Left: slightly tilted. Right: Perfect

@deadlyvices
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Don't apologise, we really appreciate your feedback and the time you are giving to this. Unfortunately, odd-membered rings can be very difficult to align properly. We will look at putting the magnetic snap into the variable ring drawing tool

@deadlyvices
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deadlyvices commented Jan 9, 2020

What are your overall impressions of ACME so far? Do you generally like it, apart from the improvements you have suggested?

@tomyan112
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tomyan112 commented Jan 9, 2020

What are your overall impressions of ACME so far? Do you generally like it, apart from the improvements you have suggested?

I like it and the interface is neat and modern.
Also, the wedge and dash is better than previous version.

@MikeWilliams-UK
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You can tell the angle of a bond, it is displayed in the bond property dialogue when you right click on a bond if this helps.

@MikeWilliams-UK
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Link to chemistry stack exchange question, which we should answer once this is implemented.

https://chemistry.stackexchange.com/questions/28997/software-for-viewing-a-structure-and-altering-bond-angles

@MikeWilliams-UK MikeWilliams-UK self-assigned this Jan 27, 2020
@MikeWilliams-UK
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@tomyan112 Just finished implementing the ability to change the angle of a bond, here's a sneak preview.

image

If the bond is a terminal bond only it is rotated.
Otherwise, the whole molecule is rotated.
If the value typed is invalid, the rotation will not be carried out, however other changes will still be applied.

I am hoping to get this released at the weekend (as Beta 5)

@MikeWilliams-UK MikeWilliams-UK added the Fixed Fixed, but may not be released yet label Jan 31, 2020
MikeWilliams-UK added a commit that referenced this issue Feb 1, 2020
* Fix Unable to add a bond to R atom #20
* Add ability to rotate bond to specific values #10
* Bond length incorrect for new drawings #27
* Fix placement of Functional Groups #29
* Fix deleting of bonds connected to explicitly hidden C atoms causing invisible C atoms
* Remove c4w:Explicit on lone (Carbon) atoms on import, to prevent them from being invisible
* Performance improvements
* Fix doubling up of 2019 in Office detection

Related work items: #665, #683, #689, #692, #693, #694, #695
@MikeWilliams-UK
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Fixed in Beta 5

@Chem4Word Chem4Word locked as resolved and limited conversation to collaborators Feb 1, 2020
@MikeWilliams-UK MikeWilliams-UK added Implemented Implemented, but may not be released yet and removed Fixed Fixed, but may not be released yet labels Feb 1, 2020
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