libs envolving *Periodic Elements* and chemical calculations

[augury]

I want to write a program that will database chemicals particularly by element. i.e


1 mol KCl
+
1 mol NaCl
__________
1 mol K >> that element
1 mol Na >> that element
2 mol Cl >> that element

...and these elements are now tallied...

OK, so, basic chemical "reciepe" that will be tracked ect.


Is there a lib, language or some standardized opensource ID for periodic elements, prior work to refer to? Like, if I re-index the Periodic Chart this is somewhat foolish, no?

[jpc22]

found something that might interest you in a quick glance at the zugaina portage overlay search engine. there might be more in the sci-chemistry category.

sci-chemistry/bodr

``The Blue Obelisk Data Repository lists many important chemoinformatics data such as element and isotope properties, atomic radii, etc. including references to original literature. Developers can use this repository to make their software interoperable.``

[augury]

Looks like it has what I want. Looks like I need to learn advanced XML now. ARGGG!

I can only write in C++ so far.

[augury]

What I'm looking to do is write a program library package to record inorganic chemicals which are added to a tank, calculate the remaining chemicals after some of the tank is emptied, determine the amount of chemical that were removed, print that as a reciept, and instruct chemicals to be added again...and we return to the beginning.

This is for a fertilizer company I am starting.

I was thinking sqlite would be the way to record. So transferring this data into the sqlite may be the best way to go. Suggestions?

I imagine this may to esoteric for integration.