Skip to content
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

Synthesis include mol block #994

Open
MJCliffe opened this issue Nov 7, 2024 · 4 comments
Open

Synthesis include mol block #994

MJCliffe opened this issue Nov 7, 2024 · 4 comments
Assignees

Comments

@MJCliffe
Copy link

MJCliffe commented Nov 7, 2024

Would be good to have a moles column in the synthesis information section to make stoichiometry clearer. This could connect with molar mass information down the line too.

@ml-evs
Copy link
Member

ml-evs commented Nov 7, 2024

We discussed at some point adding a products section to the synthesis procedure (and I guess we can bake in multistep reactants/products much better with individual steps), but for now you can specify a unit of mol in the synthesis information right? We just don't use anything useful with it... Definitely this is something we should discuss/improve with a few of us (related issue: #442)

@MJCliffe
Copy link
Author

MJCliffe commented Nov 7, 2024

I think we want both the mass and the moles: the mass is what we actually measure and the moles are what we impute.

A product box would be nice too: I guess it needs to be clear what goes in it rather than the box.

If there were a box where we can put in chemical formulae and then the moles could be directly calculated.

Some of this depends on the design of this section of course!

@MJCliffe
Copy link
Author

Is there any update on this? Basically every prep we have to input both mass and mol so it would be very convenient to have the mol automatically determined from the mass input.

@ml-evs
Copy link
Member

ml-evs commented Mar 14, 2025

No update, but lets get back onto this. The "difficulty" (i.e. boring technical difficulty rather than data modelling) is that we would want to compute the mols on the server rather than have any scientific stuff in JS, and getting that to happen without a page refresh would be a bit inelegant (would need a separate API route for just moles/mass conversion... not the end of the world!)

Let me extend our data model for constituents to be essentially (substance, amount, unit, molarity), with [amount + unit] computed if molarity is provided, and vice versa, then see how interactive we can make it.

@ml-evs ml-evs self-assigned this Mar 14, 2025
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Projects
None yet
Development

No branches or pull requests

2 participants