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#! /bin/sh
#!perl -w # --*- Perl -*--
eval 'exec perl -x $0 ${1+"$@"}'
if 0;
#------------------------------------------------------------------------------
#$Author: antanas $
#$Date: 2017-05-24 20:10:55 +0300 (Tr, 24 geg. 2017) $
#$Revision: 5322 $
#$URL: svn://www.crystallography.net/cod-tools/tags/v2.3/scripts/ssg_symop_string $
#------------------------------------------------------------------------------
#*
#* Determine superspace group symmetry operators from symmetry matrices.
#* Superspace group symmetry operators are output as parsable strings
#* as described in the CIF _space_group_symop_ssg_operation_algebraic
#* data item.
#*
#* USAGE: $0 < input.matrix
#* USAGE: $0 input.matrix
#* USAGE: $0 input1.matrix input*.matrix
#**
use strict;
use warnings;
use COD::SOptions qw( getOptions );
use COD::SUsage qw( usage );
use COD::Spacegroups::Symop::SSGParse qw( string_from_symop );
use COD::ToolsVersion;
#* OPTIONS:
#* --help, --usage
#* Output a short usage message (this message) and exit.
#* --version
#* Output version information and exit.
#**
@ARGV = getOptions(
"--help,--usage" => sub { usage; exit },
'--version' => sub { print 'cod-tools version ',
$COD::ToolsVersion::Version, "\n";
exit }
);
my @matrix;
while(<>) {
next if /^#/;
next if /^\s*$/;
chomp;
if( /^\s*\[\s*$/ ) {
@matrix = ();
next;
}
if( /^\s*\[/ ) { # Matrix row
s/^\s*\[\s*|\s*\]\s*$//g;
my @row = split( /,\s*/ );
push( @matrix, \@row );
next;
}
if( /^\s*\]/ ) {
print_commented_matrix( \@matrix );
print string_from_symop( \@matrix ), "\n\n";
}
}
sub print_commented_matrix
{
my ($m) = @_;
print "# [\n";
for (@$m) {
print "# [ ";
for (@$_) {
printf "%2s, ", $_;
}
print " ]\n";
}
print "# ]\n";
return;
}
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