/usr/share/votca/scripts/inverse/table_compare.pl is in votca-csg-scripts 1.2.4-1.
This file is owned by root:root, with mode 0o755.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 | #! /usr/bin/perl -w
#
# Copyright 2009-2011 The VOTCA Development Team (http://www.votca.org)
#
# Licensed under the Apache License, Version 2.0 (the "License");
# you may not use this file except in compliance with the License.
# You may obtain a copy of the License at
#
# http://www.apache.org/licenses/LICENSE-2.0
#
# Unless required by applicable law or agreed to in writing, software
# distributed under the License is distributed on an "AS IS" BASIS,
# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
# See the License for the specific language governing permissions and
# limitations under the License.
#
use strict;
( my $progname = $0 ) =~ s#^.*/##;
if (defined($ARGV[0]) && ( ("$ARGV[0]" eq "-h" ) || ("$ARGV[0]" eq "--help") )){
print <<EOF;
$progname, version %version%
This script compares two tables
Usage: $progname infile1 infile2
EOF
exit 0;
}
die "2 parameters are nessary\n" if ($#ARGV<1);
use CsgFunctions;
my $epsilon=1e-5;
my $file1="$ARGV[0]";
my $file2="$ARGV[1]";
my @r1;
my @pot1;
my @flag1;
(readin_table($file1,@r1,@pot1,@flag1)) || die "$progname: error at readin_table\n";
my @r2;
my @pot2;
my @flag2;
(readin_table($file2,@r2,@pot2,@flag2)) || die "$progname: error at readin_table\n";
$#r1 == $#r2 || die "$progname: error, tables have different length";
for (my $i=0;$i<=$#r1; $i++) {
abs($r1[$i] - $r2[$i]) < $epsilon || die "$progname: first column different at position $i\n";
#check relative error!
abs($pot1[$i] - $pot2[$i])/(($pot1[$i] == 0.0) ? 1.0 : $pot1[$i]) < $epsilon || die "$progname: second column different at position $i\n";
$flag1[$i] eq $flag2[$i] || die "$progname: flag different at position $i\n";
}
|