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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_matrices $
#------------------------------------------------------------------------------
#*
#* Parse superspace group symmetry operators as described in the CIF
#* _space_group_symop_ssg_operation_algebraic data items and produce
#* symmetry matrices for them.
#*
#* USAGE: $0 < input.symop
#* USAGE: $0 input.symop
#* USAGE: $0 input1.symop input*.symop
#**
use strict;
use warnings;
use COD::SOptions qw( getOptions );
use COD::SUsage qw( usage );
use COD::Spacegroups::Symop::SSGParse qw( symop_from_string );
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 ',
$COD::ToolsVersion::Version, "\n";
exit }
);
while(<>) {
next if /^#/;
next if /^\s*$/;
chomp;
my $matrix = symop_from_string( $_ );
print "# $_\n";
print_matrix( $matrix );
}
sub print_matrix
{
my ($m) = @_;
print "[\n";
for (@$m) {
print " [ ";
my $prefix = "";
for (@$_) {
printf "%s%2s", $prefix, $_;
$prefix = ", ";
}
print " ]\n";
}
print "]\n\n";
return;
}
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