How can I read the special element in a very complicated format of data?

Question

I have a complicated data set (see the image below), and I need to read the magnitude of Etot from this data set. Any idea how can I do that?

$\begingroup$ Please put the contents of the file in Pastebin. $\endgroup$
– J. M.'s eventual burnout ♦
Oct 4, 2018 at 15:00 — J. M.'s eventual burnout, Oct 4, 2018 at 15:00
$\begingroup$ it is done pastebin.com/nhnDApae $\endgroup$
– Parviz
Oct 4, 2018 at 15:51 — Parviz, Oct 4, 2018 at 15:51

J. M.'s eventual burnout · Accepted Answer · 2018-10-04 16:04:31Z

2

Import the data into Mathematica as text, line-by-line:

raw = Import["https://pastebin.com/raw/nhnDApae", {"Text", "Lines"}];

Select the lines that contain Etot:

sl = Select[raw, StringContainsQ[#, "Etot"] &];

Finally, use StringCases[] with NumberString to extract the numerical data, and convert them with ToExpression[]:

etotList = ToExpression[First[StringCases[#, NumberString]], InputForm] & /@ sl
   {-76137.07, -76237.9692, -76166.3972, -76178.2419, -75963.3368}

If you are okay with undocumented functions:

etotList = Internal`StringToDouble[First[StringCases[#, NumberString]]] & /@ sl

answered Oct 4, 2018 at 16:04

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$\begingroup$ Note that InternalStringToDouble` does not return any error if it fails, but simply 0., which might be a pitfall. $\endgroup$
– Theo Tiger
Oct 4, 2018 at 19:58

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kglr · Accepted Answer · 2018-10-04 16:35:39Z

1

data = Import["https://pastebin.com/raw/nhnDApae", {"Text", "Lines"}];

Join @@ StringCases[data, "Etot   =" ~~ a__ ~~ "EKtot"  :> ToExpression@ a]

{-76137.07, -76237.9692, -76166.3972, -76178.2419, -75963.3368}

answered Oct 4, 2018 at 16:35

kglr

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