/usr/share/votca/scripts/inverse/merge_tables.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 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 | #! /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] <source> <dest> <out>";
#Defaults
my $noflags='no';
my $novalues='no';
my $withflag=undef;
while ((defined ($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%
Merge two tables
$usage
Allowed options:
-v, --version Print version
-h, --help Show this help message
--withflag only change entries with specific flag in src
--noflags don't copy flags
--novalues don't copy values
Examples:
* $progname intable intable2 outtable
END
exit;
}
elsif ($ARGV[0] eq "--noflags")
{
$noflags = 'yes'
}
elsif ($ARGV[0] eq "--novalues")
{
$novalues = 'yes'
}
elsif ($ARGV[0] eq "--withflag")
{
shift(@ARGV);
die "nothing given for --withflag" unless $#ARGV > -1;
$withflag = $ARGV[0];
}
else
{
die "Unknown option '".$ARGV[0]."' !\n";
}
shift(@ARGV);
}
#Print usage
die "missing parameters\n$usage\n" unless $#ARGV > 1;
use CsgFunctions;
my $src="$ARGV[0]";
my $dst="$ARGV[1]";
my $out="$ARGV[2]";
print "tables $src $dst $out\n";
my @r_src;
my @val_src;
my @flag_src;
my $comments1;
(readin_table($src,@r_src,@val_src,@flag_src,$comments1)) || die "$progname: error at readin_table\n";
my @r_dst;
my @val_dst;
my @flag_dst;
my $comments2;
(readin_table($dst,@r_dst,@val_dst,@flag_dst,$comments2)) || die "$progname: error at readin_table\n";
my $idst=0;
for(my $i=0; $i<=$#r_src; $i++) {
# skip if flag does not match
if($withflag) {
if(!($flag_src[$i] =~ m/[$withflag]/)) {
next;
}
}
# advance in dst till same r
while($r_dst[$idst] < $r_src[$i] - 1e-15) {
$idst++;
if ($idst > $#r_dst) {
die "merge_tables.pl: destination table is too short";
}
}
my $tmp= $r_src[$i]-$r_dst[$idst];
die "error: grid mismatch" if(abs($r_dst[$idst] - $r_src[$i]) > 1e-15);
if($novalues eq 'no') {
$val_dst[$idst] = $val_src[$i];
}
if($noflags eq 'no') {
$flag_dst[$idst] = $flag_src[$i];
}
}
my $comments="# $progname: merged $src with $dst to $out\n";
$comments.="$comments1" if (defined($comments1));
$comments.="$comments2" if (defined($comments2));
saveto_table($out,@r_dst,@val_dst,@flag_dst,$comments) || die "$progname: error at save table\n";
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