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duderstadt-lab / mars-fx

BSD 2-Clause "Simplified" License
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Add 'Delete Positions' and 'Delete Regions' in tools menu #18

Closed NadiaHuisjes closed 4 years ago

NadiaHuisjes commented 4 years ago

At this moment there are the following tools: ‘Delete Molecules’ ‘Delete Molecule Tags’ ‘Delete Molecule Parameters’ and ‘Delete Segment Tables’. Wouldn’t it be nice to also have ‘Delete Regions’ and ‘Delete Positions’?

=> You wrote that you implemented this but it is not visible in Rover.

karlduderstadt commented 4 years ago

Yea, I agree would be good to have those! No I didn't have a chance to add them yet. Will require also indexing regions and positions globally so that the autocomplete works, so will take a little effort, but no so much. We should add it.

karlduderstadt commented 4 years ago

So MoleculeArchiveProperties keeps track of global name usage for tags, segmenttables, parameters, etc.. So first we need to add region and position names there. Then every time a new region or position is added we keep track to build the global set of unique region and position names.

Should this be different for metadata and molecules? Usually, I added dialogs that globally delete molecule properties. I figured there probably won't be too many metadata records, usually only one, and so those can be manually removed using the gui. Otherwise, it gets a bit complicated to keep track of regions and positions used for metadata vs molecules separately in the properties. This is all so we can do the autocompletion to suggest regions and positions that should be removed.

I would go for just molecules and dialogs to remove those regions and positions globally. What do you think?

karlduderstadt commented 4 years ago

Delete Molecule Regions and Positions have been added to the menu and all required changes have been made in mars-core in commits duderstadt-lab/mars-core@7c540373d63663eabd0e7c614c26f24fa6b0f619 duderstadt-lab/mars-core@2472f390ae8a1f585923024d997eea653e1c763f duderstadt-lab/mars-core@3b1a778528951a4f94b5f09a334c624dfdc113d9 and duderstadt-lab/mars-fx@5661246b00f034840c362ae197a5b8de947f52d0. In initial tests Regions and Positions are removed as expected using the new dialogs.

Waiting for further testing before closing this issue since this required a lot of changes and a bug could have been introduced.

karlduderstadt commented 4 years ago

I am closing for this for now. Everything here seems to work for me. We can reopen if problems arise.