/usr/share/votca/scripts/inverse/table_linearop.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 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 | #! /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] <in> <out> <a> <b>";
#Defaults
my $withflag=undef;
my $with_errors="no";
while ((defined ($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 performs a linear operation on the y values:
''\$y_{new} = a*y_{old} + b\$''
$usage
Allowed options:
-h, --help Show this help message
--withflag only change entries with specific flag in src
--with-errors also read and calculate errors
Examples:
* $progname tmp.dpot.cur tmp.dpot.new 1.0 0.0
END
exit;
}
elsif ($ARGV[0] eq "--withflag"){
shift(@ARGV);
die "nothing given for --withflag" unless $#ARGV > -1;
$withflag = shift(@ARGV);
}
elsif ($ARGV[0] eq "--with-errors"){
shift(@ARGV);
$with_errors="yes";
}
else
{
die "Unknow option '".$ARGV[0]."' !\n";
}
}
#Print usage
die "missing parameters\n$usage\n" unless $#ARGV >= 3;
my $a = $ARGV[2];
my $b = $ARGV[3];
use CsgFunctions;
my $file="$ARGV[0]";
my $outfile="$ARGV[1]";
print "$progname: $file to $outfile with y' = $a*y + $b \n";
my @r;
my @val;
my @flag;
my @errors;
my $comments="";
if ("$with_errors" eq "yes") {
(readin_table_err($file,@r,@val,@errors,@flag,$comments)) || die "$progname: error at readin_table\n";
} else {
(readin_table($file,@r,@val,@flag,$comments)) || die "$progname: error at readin_table\n";
}
for(my $i=0; $i<=$#r; $i++) {
# skip if flag does not match
if($withflag) {
if(!($flag[$i] =~ m/[$withflag]/)) {
next;
}
}
$val[$i] = $a*$val[$i] + $b;
if ("$with_errors" eq "yes") {
$errors[$i] = $a*$errors[$i];
}
}
$comments.="# $progname: $file -> $outfile y' = $a*y + $b\n";
if ("$with_errors" eq "yes") {
saveto_table_err($outfile,@r,@val,@errors,@flag,$comments) || die "$progname: error at save table\n";
}else {
saveto_table($outfile,@r,@val,@flag,$comments) || die "$progname: error at save table\n";
}
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