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@CVilla17 CVilla17 commented Mar 27, 2023

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  • documentation about having multiple sources for file node within data sheet
  • documentation for all the new sheets added

@CVilla17 CVilla17 requested a review from nh916 March 27, 2023 17:53
* made cosmetic change to the Experiment and Inventory chart
* added a row for inventory, since we had experiment above it to show inventory example as well
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nh916 commented Mar 27, 2023

when we make the release, I think we can go ahead and merge this in

@nh916 nh916 marked this pull request as draft March 29, 2023 23:31
@CVilla17 CVilla17 marked this pull request as ready for review May 30, 2023 22:10
| pick from `Name` column of <a href="https://criptapp.org/keys/material-identifier-key/" target="_blank">material identifiers</a> | identifier | no | your values |
| pick from `Name` column of <a href="https://criptapp.org/keys/material-property-key/" target="_blank">material properties</a> | property | no | your values |
| use_existing | property | no | TRUE, FALSE, or blank |
| \*use_existing | property | yes | project name or FALSE |
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I think this is great currently and it is enough to get the job done.

I thought we made a feature that it would be project name and we would use_existing and if it is False or empty then we wouldn't? Are we still thinking of adding that feature later? Or am I getting it fully wrong?

I'm thinking if the user has to write a 100 rows of False they'll get angry with us very quickly

<summary> Notes on material attributes </summary>
All attributes material can be added by marking the column as attribute in row 1 and using the attribute name from the <a href=https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/6322994103e27d9176d5b10c/original/main-supporting-information.pdf>data model</a>.
Additionally, for the more complex formatting of the computational_forcefield attribute reference the picture below:
<img src="../docs_assets/comp_forcefield_setup.png" alt="picture of computational forcefield setup">
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how come we decided not to go with HTML table? I think the image is fine, but just wondering


<details>
<summary>Notes on multiple software_configurations</summary>
Use the Id syntax described in <a href="excel_rows.md" target=_blank>Structure of Excel Sheets </a> to have multiple software_configurations in your Computation node
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I would give an example here because chances are the user probably skipped a bunch of pages and when they get to here and are looking at it they'll get confused and have a hard time figuring it out

`use_existing` column field is best for when you already have a material within your project and
you just want to name it and use it within your Excel file instead of creating a new material on every upload

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great use of regular HTML to make the documentation less ties to a specific software and be more compatible overall!

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nh916 commented May 30, 2023

@CVilla17 do you want to put in the Data html table an example of using multiple sources for users to easily understand?

I'm thinking we told them that they can use IDs but a user on their first attempt probably misses a lot of things and repetition could help. Just a suggestion, we don't have to if we don't want to

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nh916 commented May 30, 2023

overall it is great, and we can merge it into docs branch as soon as we make a release of CRIPT Excel Uploader 2.0

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3 participants