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|
#! /bin/sh
#!perl -w # --*- Perl -*--
eval 'exec perl -x $0 ${1+"$@"}'
if 0;
#------------------------------------------------------------------------------
#$Author: antanas $
#$Revision: 9355 $
#$URL: svn+ssh://www.crystallography.net/home/coder/svn-repositories/cod-tools/tags/v3.7.0/scripts/json2cif $
#$Date: 2022-07-31 23:15:34 +0300 (Sun, 31 Jul 2022) $
#------------------------------------------------------------------------------
#*
#* Parse JSON CIF and print out CIF.
#*
#* USAGE:
#* $0 [options] input.cif [input2.cif ...]
#**
use strict;
use COD::CIF::Parser qw( parse_cif );
use COD::CIF::Tags::DictTags;
use COD::CIF::Tags::COD;
use COD::CIF::Tags::AMCSD;
use COD::CIF::Tags::TCOD;
use COD::CIF::Tags::DFT;
use COD::CIF::Tags::CanonicalNames qw( canonicalize_all_names );
use COD::CIF::Tags::Print qw( print_cif );
use COD::UserMessage qw( error );
use COD::SOptions qw( getOptions );
use COD::SUsage qw( usage );
use COD::ToolsVersion qw( get_version_string );
my $exclude_misspelled_tags = 0;
my $preserve_loop_order = 0;
my $preserve_tag_order = 0;
my $fold_long_fields = 0;
my $folding_width = 76;
my %options;
@ARGV = getOptions(
#* OPTIONS:
#* --exclude-misspelled-tags
#* Remove tags that were not present in the recognised tag
#* list.
#* --dont-exclude-misspelled-tags,
#* --no-exclude-misspelled-tags
#* Disable the '--exclude-misspelled-tags' option.
#*
#* --retain-tag-order
#* Print tags in the same order they appeared in the
#* original file.
#* --dont-retain-tag-order
#* Disregard original tag order while printing the tags
#* (default).
#*
#* --preserve-loop-order
#* Print loops in the same order they appeared in the
#* original file.
#* --use-internal-loop-order
#* Disregard original loop order while printing the tags
#* (default).
#*
#* --folding-width 76
#* Specify the length of the longest unfolded line
#* (default: 76).
#*
#* --fold-long-fields
#* Fold fields, longer than folding width.
#* --dont-fold-long-fields
#* Do not fold fields (default).
#*
#* --help, --usage
#* Output a short usage message (this message) and exit.
#* --version
#* Output version information and exit.
#**
'--exclude-misspelled-tags' => sub { $exclude_misspelled_tags = 1; },
'--dont-exclude-misspelled-tags' => sub { $exclude_misspelled_tags = 0; },
'--no-exclude-misspelled-tags' => sub { $exclude_misspelled_tags = 0; },
'--preserve-loop-order' => sub { $preserve_loop_order = 1; },
'--use-internal-loop-order' => sub { $preserve_loop_order = 0; },
'--retain-tag-order' => sub { $preserve_tag_order = 1; },
'--dont-retain-tag-order' => sub { $preserve_tag_order = 0; },
'--folding-width' => \$folding_width,
'--fold-long-fields' => sub{ $fold_long_fields = 1 },
'--dont-fold-long-fields' => sub{ $fold_long_fields = 0 },
'--help,--usage' => sub { usage; exit },
'--version' => sub { print get_version_string(), "\n"; exit }
);
my @dictionary_tags = ( @COD::CIF::Tags::DictTags::tag_list,
@COD::CIF::Tags::COD::tag_list,
@COD::CIF::Tags::AMCSD::tag_list,
@COD::CIF::Tags::TCOD::tag_list,
@COD::CIF::Tags::DFT::tag_list );
my %dictionary_tags = map { $_ => $_ } @dictionary_tags;
@ARGV = ( '-' ) unless @ARGV;
binmode STDOUT, ':encoding(UTF-8)';
binmode STDERR, ':encoding(UTF-8)';
for my $filename (@ARGV) {
my $options = { 'parser' => 'json', 'no_print' => 1 };
my ( $data, $err_count, $messages ) = parse_cif( $filename, $options );
if ( $err_count > 0 ) {
print STDERR $_ foreach ( @$messages );
error( {
'program' => $0,
'filename' => $filename,
'message' =>
"$err_count error(s) encountered while parsing the file"
} );
next;
}
print STDERR $_ foreach ( @$messages );
canonicalize_all_names( $data );
for my $dataset ( @$data ) {
print_cif( $dataset, {
exclude_misspelled_tags => $exclude_misspelled_tags,
preserve_loop_order => $preserve_loop_order,
fold_long_fields => $fold_long_fields,
folding_width => $folding_width,
dictionary_tags => \%dictionary_tags,
dictionary_tag_list => \@dictionary_tags,
keep_tag_order => $preserve_tag_order,
} );
}
}
|
