-
Notifications
You must be signed in to change notification settings - Fork 171
New issue
Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.
By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.
Already on GitHub? Sign in to your account
Expand macromolecules in micro mode #5400
Labels
Milestone
Comments
svvald
added a commit
that referenced
this issue
Sep 25, 2024
svvald
added a commit
that referenced
this issue
Sep 27, 2024
9 tasks
svvald
added a commit
that referenced
this issue
Oct 2, 2024
This was referenced Oct 7, 2024
Closed
Open
Tested. There are many bugs introduced. Desktop:
Ketcher version |
This was referenced Oct 16, 2024
Guch1g0v
pushed a commit
that referenced
this issue
Oct 17, 2024
This was referenced Oct 17, 2024
Closed
Open
This was referenced Oct 24, 2024
Open
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Currently upon switching from polymer editor to micromolecules mode while having some monomers on the canvas leads to the quite limited user experience – monomers are displayed as their aliases, their structure can only be seen in the preview while hovering over it.
The purpose of this feature is to allow user to expand macromolecules in micromolecules mode similar to functional groups in order to have the exact structure on the canvas and manipulate it.
While expanding a monomer positioned within a chain, all atoms which are connected directly or via other atoms to the monomer going to be expanded have to be moved along their direction by the half-size of the expanded monomer's bounding box.
Expanding multiple monomers should be possible – the aforementioned algorithm should be applied for the rest of the chain as well as for the already expanded monomers. While expanding multiple monomers, top-most and left-most monomer should be processed first during adjacent structures repositionig and then every monomer consequently in left-to-right, top-to-bottom order. Calculations have to be accumulated and all expansions rendered only once.
"Collapse monomer" option should be present in the right-click context menu over the expanded monomer structure.
While clicked, the monomer contracts back to its label on the canvas, contracted label position should be placed in the center of structure's bounding box and then all atoms which are connected to it should be moved back to their initial positions if needed by reversing the previously mentioned algorithm of chain movement.
Expanding ambiguous monomer shouldn't be possible to expand
As a side note – also make macromolecules abbreviations and their bonds in micromolecules mode movable as now they're static and can only be viewed or deleted. Expanded monomers are able to be moved across canvas as well.
The text was updated successfully, but these errors were encountered: