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|
#! /bin/sh
#!perl -w # --*- Perl -*--
eval 'exec perl -x $0 ${1+"$@"}'
if 0;
#------------------------------------------------------------------------------
#$Author: antanas $
#$Date: 2019-12-05 21:37:22 +0200 (Thu, 05 Dec 2019) $
#$Revision: 7549 $
#$URL: svn+ssh://www.crystallography.net/home/coder/svn-repositories/cod-tools/tags/v3.1.0/scripts/syminv $
#------------------------------------------------------------------------------
#*
#* Invert a symmetry operator provided on the command line.
#*
#* USAGE:
#* $0 --options -- -y,-x,z -x,y,z
#* $0 --options -- -y,-x,z -x,y,z z,y,x
#**
use strict;
use warnings;
use COD::CIF::Data;
use COD::Spacegroups::Symop::Parse qw(
symop_from_string
string_from_symop
);
use COD::Spacegroups::Symop::Algebra qw(
symop_invert
symop_modulo_1
);
use COD::SOptions qw( getOptions );
use COD::SUsage qw( usage );
use COD::ToolsVersion;
my $print_matrix = 0; # Print output as matrix or as a string.
#* OPTIONS:
#* -m, --matrix
#* Print output in matrix form.
#* -s, --string
#* Print output in string form as general position
#* coordinates (default).
#*
#* --help, --usage
#* Output a short usage message (this message) and exit.
#*
#* --version
#* Output version information and exit.
#**
@ARGV = getOptions(
"-m,--matrix" => sub { $print_matrix = 1 },
"-s,--string" => sub { $print_matrix = 0 },
"--help,--usage" => sub { usage; exit },
'--version' => sub { print 'cod-tools version ',
$COD::ToolsVersion::Version, "\n";
exit }
);
for my $symop_string (@ARGV) {
my $symop = symop_from_string( $symop_string );
my $result = symop_modulo_1( symop_invert( $symop ) );
if( $print_matrix ) {
for my $row (@$result) {
my $separator = "";
for (@$row) {
print $separator, $_;
$separator = "\t";
}
print "\n";
}
} else {
print string_from_symop( $result ), "\n";
}
}
|
