/usr/share/votca/scripts/inverse/table_get_value.pl is in votca-csg-scripts 1.3.0-3.
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 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 | #! /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;
$_=$0;
s#^.*/##;
my $progname=$_;
my $usage="Usage: $progname [OPTIONS] X infile";
# read program arguments
while ((defined ($ARGV[0])) and ($ARGV[0] =~ /^-./))
{
if (($ARGV[0] !~ /^--/) and (length($ARGV[0])>2)){
$_=shift(@ARGV);
#short opt having agruments examples fo
if ( $_ =~ /^-[fo]/ ) {
unshift(@ARGV,substr($_,0,2),substr($_,2));
}
else{
unshift(@ARGV,substr($_,0,2),"-".substr($_,2));
}
}
if (($ARGV[0] eq "-h") or ($ARGV[0] eq "--help"))
{
print <<END;
$progname, version %version%
This script print the y value of x, which is closest to X.
$usage
Allowed options:
-h, --help Show this help message
END
exit;
}
else
{
die "Unknown option '".$ARGV[0]."' !\n";
}
}
#Print usage
die "no files given\n$usage\n" unless $#ARGV > 0;
use CsgFunctions;
my $X="$ARGV[0]";
my $infile="$ARGV[1]";
my @x;
my @y;
my @flag;
(readin_table($infile,@x,@y,@flag)) || die "$progname: error at readin_table\n";
my $value=$y[0];
for(my $i=1; $i<=$#x; $i++) {
if($x[$i]<$X) {
$value=$y[$i];
} else {
$value=$y[$i] unless (($x[$i]-$X)>($X-$x[$i-1]));
print "$value\n";
exit 0;
}
}
die "$progname: value $X not found\n";
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