解析化学式 [英] Parsing a chemical formula

问题描述

我正在尝试为应用程序编写一个方法，它采用像CH3COOH这样的化学式，并返回一些充满符号的集合。

I'm trying to write a method for an app that takes a chemical formula like "CH3COOH" and returns some sort of collection full of their symbols.

CH3COOH将返回[C，H，H，H，C，O，O，H]

CH3COOH would return [C,H,H,H,C,O,O,H]

我已经有了一些有点工作的东西，但它非常复杂并且使用了很多代码都有很多嵌套的if-else结构和循环。

I already have something that is kinda working, but it's very complicated and uses a lot of code with a lot of nested if-else structures and loops.

有没有办法可以通过在String.split中使用某种正则表达式来实现这一点。也许在其他一些出色的简单代码中？

Is there a way I can do this by using some kind of regular expression with String.split or maybe in some other brilliant simple code?

推荐答案

假设它正确大写，方程式中的每个符号都匹配这个正则表达式：

Assuming it's correctly capitalised, each symbol in the equation matches this regular expression:

[A-Z][a-z]*\d*

（对于化学挑战，元素的符号始终为大写字母，后跟可选的小写1或可能为2 - 例如汞的汞）

(For the chemically challenged, an element's symbol is always capital letter followed by optionally a lower case one or possibly two - e.g. Hg for mercury)

您可以捕获元素符号和组中的数字所以：

You can capture the element symbol and the number in groups like so:

([A-Z][a-z]*)(\d*)

所以是的，从理论上说这将是正则表达式可以帮助的东西。如果您正在处理类似C ₆ H ₂ （NO ₂ ） ₃ （CH ₃ ） ₃ 然后你的工作当然有点难......

So yes, in theory this would be something regular expressions could help with. If you're dealing with formulae like C₆H₂(NO₂)₃(CH₃)₃ then your job is of course a bit harder...

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