search

theochem / Selector

Methods for selecting diverse (molecular) database.
https://selector.qcdevs.org
GNU General Public License v3.0
22 stars 20 forks source link

Update in Docs/Code necessary #194

Closed Shashankss1205 closed 4 months ago

Shashankss1205 commented 4 months ago

Hello Developers, I wanted to mention that the doc has been outdated at some instances with respect to the code : Screenshot (221) In the above image about Running Dissimilarity Algorithms, from selector.methods.dissimilarity import * should be changed to from selector.methods.distance import * because in a previous commit, the name of the dissimilarity module has been changed to distance. Similarly, selected_ids1 = selector.select(arr=arr_dist, size=12) should be changed to selected_ids1 = selector.select(X=arr_dist, size=12) as evident from the image Screenshot (220)

Kindly look into all such changes or guide me so that I can make the meaningful changes in the doc or the code to make them both compatible. The following 2 images demonstrate how the changes I made: Screenshot (222) Screenshot (223) Screenshot (223) Screenshot (222)

Shashankss1205 commented 4 months ago

Sorry for duplicated images at the bottom. And this is a screenshot of the renaming of the file from dissimilarity to distance: image

FanwangM commented 4 months ago

Thank you for the updates. I will take a look during the weekend. @Shashankss1205

Shashankss1205 commented 4 months ago

Kindly reach back to me once you take a look at the problem so that I can provide my help as well. Thank you !

Shashankss1205 commented 4 months ago

Hello @FanwangM , @FarnazH Are there any updates regarding this issue? Thank You!

Shashankss1205 commented 4 months ago

Hello @FanwangM & @FarnazH Have you looked at the issue? Thank You!

FanwangM commented 4 months ago

Sorry for the delay. We use the Jupyter Book to host the documentation with sources from the Jupyter notebooks. The problem you mentioned is being fixing in https://github.com/theochem/Selector/pull/186. I would suggest wait for https://github.com/theochem/Selector/pull/186 to be merged and see how should further polish the documentation. But thanks for offering the help. @Shashankss1205

FanwangM commented 4 months ago

I am going to close this issue for now, but please feel free to reopen it when needed.

Shashankss1205 commented 4 months ago

Sorry for the delay. We use the Jupyter Book to host the documentation with sources from the Jupyter notebooks. The problem you mentioned is being fixing in #186. I would suggest wait for #186 to be merged and see how should further polish the documentation. But thanks for offering the help. @Shashankss1205

Okay, Thanks @FanwangM , Now I got to know Why was I feeling outdated in those Starting stuffs.

I am hoping that I can provide with any help related to this project as it excites me the most amongst all Projects. Also I would like to know are there any tests or procedures that I should follow so as to pave my way a bit closer towards being a contributor at the Organization.

FanwangM commented 4 months ago

I'm not sure if I fully understand your comments. Are you referring to coding practices? If so, we have set up GitHub Actions to automatically run tests, https://github.com/theochem/Selector/tree/main/.github/workflows.

We will post more updates later this week regarding this GSoC project.

Shashankss1205 commented 4 months ago

Okay I understand. Thank You.