FelixBaensch / MORTAR

MOlecule fRagmenTAtion fRamework
MIT License
18 stars 3 forks source link

Issue 84 column swap #99

Closed JonasSchaub closed 2 months ago

JonasSchaub commented 2 months ago
JonasSchaub commented 2 months ago

The exported PDF and CSV files did not have to be updated as described in the issue because they do not contain the sample parents or their names.

JonasSchaub commented 2 months ago

@FelixBaensch could you maybe inspect the visual changes in the GUI and let me know what you think?

JonasSchaub commented 2 months ago

I find the new arrangement takes a bit of getting used to. Maybe it looks better if the SMILES column is in front of the structure columns.

Hm, I don't know. I think the most important thing here are the fragment structures. And textual column in front that is not a name/ID is also odd, IMHO.

image

JonasSchaub commented 2 months ago

S. P. Name is somehow odd and I don't like it.

Do you have alternative suggestions, maybe? There is not a lot space available in the header and I don't like the header labels being abbreviated in the default size.

FelixBaensch commented 2 months ago

Hm, I don't know. I think the most important thing here are the fragment structures. And textual column in front that is not a name/ID is also odd, IMHO.

I fully agree that the most important thing is the fragment structure, but it's more pleasing to my eye this way. We could get Achim's professional opinion.

FelixBaensch commented 2 months ago

Do you have alternative suggestions, maybe? There is not a lot space available in the header and I don't like the header labels being abbreviated in the default size.

No, not really. How about just omitting the "Sample" and only mentioning in the tool tip and tutorial that there are several? And swap the "parent" for something like "source" or "root"? Gemini suggested "Parent Hierarchy".

JonasSchaub commented 2 months ago

We could get Achim's professional opinion.

I've e-mailed him with you in Cc.

JonasSchaub commented 2 months ago

Achims's suggestion: SMILES - Structure - Parent Name - Parent Structure - ...

I will look into this tomorrow.

FelixBaensch commented 2 months ago

I like Achim's suggestion ;D

By the way, the arrangement of the columns can be customized by the user during a session. It is just not persisted.

JonasSchaub commented 2 months ago

By the way, the arrangement of the columns can be customized by the user during a session. It is just not persisted.

Ah wow, I did not know that, thanks!

sonarcloud[bot] commented 2 months ago

Quality Gate Passed Quality Gate passed

Issues
1 New issue
0 Accepted issues

Measures
0 Security Hotspots
No data about Coverage
0.0% Duplication on New Code

See analysis details on SonarCloud

JonasSchaub commented 2 months ago

The new fragments tab arrangement:

image

@FelixBaensch do you like it?

FelixBaensch commented 2 months ago

@FelixBaensch do you like it?

Since it pretty much implements my suggestions, yes!