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Select only the last line from the pattern

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Top Forums Shell Programming and Scripting Select only the last line from the pattern
# 8  
Old 08-05-2012
You could put together your info and the hints given in this thread:
Code:
grep "E(" 6dialkene.out |tail -3|cut -d" " -f8

if you need the energies by themselves. If you need the whole line, drop the cut filter.


grep -i "input orientation" will output 16 occurrences and data for these is screens and screens of data. Which ones do you need?
# 9  
Old 08-05-2012
Quote:
Originally Posted by RudiC
Code:
grep "E(" 6dialkene.out |tail -3|cut -d" " -f8

filter.
This definitely works, but i suspect the printing routine to give formatted output. If the number of blanks varies because, for instance, a two-digit value has one leading space more than a 3-digit value ("-234" vs " -23" - don't know if they are possible at all) your line might fail. I suggest a slight modification therefore (replace "<spc>" by a blank and "<tab>" by a literal tab character):

Code:
sed -n '/E(/ s/[<spc><tab>][<spc><tab>]*/<spc>/gp' | tail -3 | cut -d' ' -f4

The sed command does the same as the grep but replaces all consecutive whitespace by one space. This will work regardless of the number of leading whitespace.

I hope this helps.

bakunin
# 10  
Old 08-05-2012
Basically I would just need to create one script for each of the following outputs. Thanks a million for the help, it is really useful for me

output 1 (Last energy):
Code:
SCF Done:  E(RB3LYP) =  -234.626900695     A.U. after    7 cycles

output 2 (-1 and -2 energies):
Code:
 SCF Done:  E(RB3LYP) =  -234.626899214     A.U. after    8 cycles
 SCF Done:  E(RB3LYP) =  -234.626900474     A.U. after    8 cycles

Output 3 (Last "input orientation"):
Input orientation:

Code:
      1          6           0       -0.399347   -5.262276    0.924477
      2          1           0        0.036285   -6.254346    0.851459
      3          1           0       -1.018756   -5.065127    1.796487
      4          6           0       -0.191339   -4.333337   -0.008437
      5          1           0        0.440298   -4.576219   -0.864753
      6          6           0       -0.747870   -2.936770    0.017425
      7          1           0       -1.402957   -2.809077    0.886816
      8          1           0       -1.372645   -2.775463   -0.873590
      9          6           0        0.357075   -1.853859    0.042264
     10          1           0        1.026052   -2.019980   -0.815204
     11          1           0        0.967516   -1.976710    0.944220
     12          6           0       -0.196861   -0.457411   -0.019460
     13          1           0       -0.788822   -0.220813   -0.905375
     14          6           0       -0.030242    0.478629    0.914665
     15          1           0        0.549025    0.287676    1.815162
     16          1           0       -0.460889    1.470485    0.814332

Moderator's Comments:
Mod Comment Please view this code tag video for how to use code tags when posting code and data.
Last edited by bakunin; 08-05-2012 at 04:05 PM..
# 11  
Old 08-05-2012
Quote:
Originally Posted by bakunin
This definitely works, but i suspect the printing routine to give formatted output. If the number of blanks varies because, for instance, a two-digit value has one leading space more than a 3-digit value ("-234" vs " -23" - don't know if they are possible at all) your line might fail. I suggest a slight modification therefore (replace "<spc>" by a blank and "<tab>" by a literal tab character):
...
bakunin
@bakunin: You're absolutely right re. the unreliable number of spaces (e.g. one would ecpect the energies to be in field 6 rather than -f8 for cut). I kept it on the simple side, your sed proposal is much safer here (would be field 6 then, btw).

@hmartine1983: as you obviously only want entire lines, try this (shamelessly borrowing aashish.sharma8's proposals):
output 1:
Code:
grep "E(" 6dialkene.out |tail -1
 SCF Done:  E(RB3LYP) =  -234.626900695     A.U. after    7 cycles

output 2:
Code:
grep "E(" 6dialkene.out |tail -3|head -2
 SCF Done:  E(RB3LYP) =  -234.626899214     A.U. after    8 cycles
 SCF Done:  E(RB3LYP) =  -234.626900474     A.U. after    8 cycles

output 3:
Code:
grep -A20 "Input orientation" 6dialkene.out |tail -16

will result in the 16 lines requested.
These rely heavily on data structures being fixed as shown in your example; any deviation might need more sophisticated analysis in the way bakunin pointed out.
Last edited by RudiC; 08-05-2012 at 04:40 PM..
# 12  
Old 08-05-2012
Thanks a lot to everyone, very helpful
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