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Question: Conversion of chemical formulas to string

Hi everyone

Right now I am working on a command that calculates the molar mass of molecules. Mostly it is working like a charm but in some cases the interpretation of the input goes wrong.
The command converts the input to a string, e.g.:

f:=convert(Ca3(PO4)2, string) = "Ca[3](PO[4])[2]"

f := StringTools:-Remove("[]_*^+-", f) = "Ca3(PO4)2"

 

However, sometimes information such as parentheses is lost (which is understandable considering the fact that maple does not know chemical syntax):

f := convert(NH[3][3]*PO[4], string) = "NH[3][3]*PO[4]"

f := StringTools:-Remove("[]_*^+-", f) = "NH33PO4"

 

In special cases it goes completely nuts (I am aware this is not a real molecule):

f := convert(Al(OH)2(NH3)2, string) = "Al(`#msub(mfenced(mi("OH")),mn("2"))`)(NH[3])[2]"

 

The problem could of course simply be solved by typing the input as a string with no subscripts but is looks much nicer with the correct chemical syntax as input.

Do any of you know a way to translate the input charactor by charactor into a (understandable) string?

 

Thanks in anvance,
Mads 

 



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