How to append text from one line, to the end of another

awkpastetext processing

The original output file contained this block of text among much more information: 

 Projecting out rotations and translations

 Force Constants (Second Derivatives of the Energy) in [a.u.]
                             GX1         GY1         GZ1         GX2         GY2     
           GX1           0.6941232
           GY1           0.0187624   0.0156533
           GZ1          -0.1175495  -0.0980708   0.6144300
           GX2          -0.6074291  -0.0036667   0.0229726   0.6228918
           GY2           0.0069881  -0.0013581   0.0085087   0.0023190   0.0014047
           GZ2          -0.0437815   0.0085087  -0.0533084  -0.0145287  -0.0088007
           GX3          -0.0866941  -0.0150957   0.0945769  -0.0154627  -0.0093070
           GY3          -0.0257505  -0.0142952   0.0895621   0.0013477  -0.0000466
           GZ3           0.1613309   0.0895621  -0.5611216  -0.0084438   0.0002920
                             GZ2         GX3         GY3         GZ3     
           GZ2           0.0551377
           GX3           0.0583102   0.1021568
           GY3           0.0002920   0.0244027   0.0143418
           GZ3          -0.0018293  -0.1528871  -0.0898540   0.5629509

So far I have managed to isolate the data I need along with the relevant headings, and print this to a log file using [grep] and [awk] (below): 

#!/bin/bash

rm Hessian.log

for i  in *.out
do
grep -H -A16 "Force Constants (Second Derivatives of the Energy)" $i | tail -n +1 | awk ' NR == 2 {printf "     "" %10s %10s %10s %10s %10s \n", $2,$3,$4,$5,$6} NR == 3, NR == 11 {printf "%5s %10s %10s %10s %10s %10s\n", $2,$3,$4,$5,$6,$7} ' >> Hessian.log
echo "" >> Hessian.log
done

Which produces:

          GX1         GY1         GZ1         GX2         GY2     
GX1    0.6941232
GY1    0.0187624   0.0156533
GZ1   -0.1175495  -0.0980708   0.6144300
GX2   -0.6074291  -0.0036667   0.0229726   0.6228918
GY2    0.0069881  -0.0013581   0.0085087   0.0023190   0.0014047
GZ2   -0.0437815   0.0085087  -0.0533084  -0.0145287  -0.0088007
GX3   -0.0866941  -0.0150957   0.0945769  -0.0154627  -0.0093070
GY3   -0.0257505  -0.0142952   0.0895621   0.0013477  -0.0000466
GZ3    0.1613309   0.0895621  -0.5611216  -0.0084438   0.0002920
          GZ2         GX3         GY3         GZ3     
GZ2    0.0551377
GX3    0.0583102   0.1021568
GY3    0.0002920   0.0244027   0.0143418
GZ3   -0.0018293  -0.1528871  -0.0898540   0.5629509

However, I am trying to move the last four lines so that they sit in columns next to the data above, with their respective headings (GZ2, GX3, GY3, GZ3) in the same row as the other headings. To put it simply, the resulting output should be a 9*9 matrix of data with labels for each column and row (as shown below).

          GX1         GY1         GZ1         GX2         GY2         GZ2         GX3         GY3         GZ3
GX1    0.6941232
GY1    0.0187624   0.0156533
GZ1   -0.1175495  -0.0980708   0.6144300
GX2   -0.6074291  -0.0036667   0.0229726   0.6228918
GY2    0.0069881  -0.0013581   0.0085087   0.0023190   0.001404
GZ2   -0.0437815   0.0085087  -0.0533084  -0.0145287  -0.0088007   0.0551377
GX3   -0.0866941  -0.0150957   0.0945769  -0.0154627  -0.0093070   0.0583102   0.1021568
GY3   -0.0257505  -0.0142952   0.0895621   0.0013477  -0.0000466   0.0002920   0.0244027   0.0143418
GZ3    0.1613309   0.0895621  -0.5611216  -0.0084438   0.0002920  -0.0018293  -0.1528871  -0.0898540   0.5629509

Best Answer

A simple Perl script will do the trick nicely (Perl is already installed on dang near everything):

#!/usr/bin/env perl

my @rows; # Preserve order of appearance
my %rows;

my $heading;

for (<>) {
    chomp;
    if (s/^\s+/   /) {
        $heading .= $_;
    } elsif (/^(\w+) (.*)$/) {
        push @rows, $1 if not exists $rows{$1};
        $rows{$1} .= $2;
    } else {
        die "Invalid line format at line $.";
    }
}
my $fmt = "%-5s %s\n"; # Adjust width to suit taste
printf $fmt, '', $heading;
printf $fmt, $_, $rows{$_} for @rows;

Simply invoke this program with your data something like so:

$ my_column.pl < your_data.txt

(Assuming you saved the above script as my_column.pl and made it executable with chmod 755 my_column.pl of course!)

The above should get the job done, but if you need precise column alignment or more advanced formatting in general, you can split the columns and force particular column widths with printf, or one of the many tabular formatting modules available for Perl.

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