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|
#! /bin/sh
#!perl -w # --*- Perl -*--
eval 'exec perl -x $0 ${1+"$@"}'
if 0;
#------------------------------------------------------------------------------
#$Author: antanas $
#$Revision: 8845 $
#$URL: svn+ssh://www.crystallography.net/home/coder/svn-repositories/cod-tools/tags/v3.7.0/scripts/cif_diff $
#$Date: 2021-08-01 23:10:01 +0300 (Sun, 01 Aug 2021) $
#------------------------------------------------------------------------------
#*
#* Parse two CIF files and compare their content
#*
#* USAGE:
#* $0 --options input1.cif input2.cif
#**
use strict;
use warnings;
use COD::CIF::Parser qw( parse_cif );
use COD::CIF::Data::Diff qw( diff );
use COD::ErrorHandler qw( process_errors
process_parser_messages
report_message );
use COD::Precision qw( cmp_cif_numbers );
use COD::SOptions qw( getOptions get_value );
use COD::SUsage qw( options usage );
use COD::ToolsVersion qw( get_version_string );
my $use_parser = 'c';
my $die_on_error_level = {
ERROR => 1,
WARNING => 0,
NOTE => 0
};
my $compare_datablock_names = 1;
my $fold_long_fields = 1;
my $folding_width = 72;
my %comparators = ();
sub string_compare { return $_[0] cmp $_[1] }
my $compare_only_selected = 0;
my @selected_tags = ();
my @excluded_tags = ();
my $ignore_empty_values = 0;
my $left = 1;
my $right = 1;
my $common = 1;
my $L_option_param;
#* OPTIONS:
#* -t, --tags
#* Whitespace- or comma-separated list of tags to compare.
#* When present, only tags enumerated with this option are
#* compared.
#*
#* -a, --add-tag
#* Add a tag to the list of compared tags.
#*
#* -c, --clear-tags
#* Clear the list of compared tags.
#*
#* -f, --file-with-tags
#* Specify a file with tags to be compared.
#*
#* --compare-all-tags
#* Compare all tags present in the compared files (default).
#*
#* --no-compare, --exclude
#* Whitespace- or comma-separated list of tags not to compare.
#* When present, enumerated tags will be excluded from the
#* comparison.
#*
#* --compare-datablock-names
#* --dont-compare-datablock-names
#* Also compare the names of CIF data blocks. Default: on.
#*
#* --compare-numeric _cell_length_a
#* Force numeric comparison for given tag.
#*
#* --compare-string _cell_length_a
#* Force string comparison for given tag.
#*
#* --ignore-empty-values
#* Ignore tags with empty values.
#*
#* --no-ignore-empty-values
#* --dont-ignore-empty-values
#* Take tags with empty values into comparison (default).
#*
#* --no-left
#* Do not print tags present in the left file only.
#* Similar to 'comm -1'.
#*
#* --no-right
#* Do not print tags present in the right file only.
#* Similar to 'comm -2'.
#*
#* --no-common
#* Do not print tags with the same values in both files.
#*
#* --folding-width 72
#* Specify the length of the longest unfolded line.
#*
#* --fold-long-fields
#* --dont-fold-long-fields
#* Fold fields, longer than folding width. Default: on.
#*
#* -L, -u
#* Ignored options. Used to make this script usable
#* as --diff-cmd for 'svn diff'.
#*
#* --use-perl-parser
#* Use Perl parser to parse CIF files.
#* --use-c-parser
#* Use C parser to parse CIF files (default).
#*
#* --help, --usage
#* Output a short usage message (this message) and exit.
#* --version
#* Output version information and exit.
#**
@ARGV = getOptions(
"-L" => \$L_option_param, # Ignore the '-L' option and its argument
"-u" => sub { 1; }, # Ignore the '-u' option, so that we can use
# the 'cif_diff' program as the --diff-cmd for
# 'svn diff'
"-t,--tags" => sub { $compare_only_selected = 1;
@selected_tags = split( /\s|,/, get_value()); },
"-a,--add-tag" => sub { $compare_only_selected = 1;
push( @selected_tags, get_value() ); },
"-c,--clear-tags" => sub { $compare_only_selected = 1;
@selected_tags = () },
"-f,--file-with-tags" => sub {
$compare_only_selected = 1;
my $filename = get_value();
eval {
open( my $tags, '<', $filename ) or die 'ERROR, '
. 'could not open file for reading -- '
. lcfirst($!) . "\n";
@selected_tags = ( @selected_tags,
map { s/^\s*|\s*$//g; $_ }
grep { !/^\#/ } <$tags> );
close( $tags ) or die 'ERROR, '
. 'error while closing file after reading -- '
. lcfirst($!) . "\n";
};
if ($@) {
process_errors( {
'message' => $@,
'program' => $0,
'filename' => $filename
}, $die_on_error_level->{ERROR} );
};
},
"--compare-all-tags" => sub{ $compare_only_selected = 0; },
"--no-compare,--exclude" =>
sub{ @excluded_tags = split( /\s|,/, get_value()); },
"--compare-datablock-names" => sub{ $compare_datablock_names = 1 },
"--dont-compare-datablock-names" => sub{ $compare_datablock_names = 0 },
"--compare-numeric" =>
sub{ $comparators{ get_value() } = \&cmp_cif_numbers },
"--compare-string" =>
sub{ $comparators{ get_value() } = \&string_compare },
"--ignore-empty-values" => sub{ $ignore_empty_values = 1 },
"--no-ignore-empty-values" => sub{ $ignore_empty_values = 0 },
"--dont-ignore-empty-values" => sub{ $ignore_empty_values = 0 },
"--folding-width" => \$folding_width,
"--fold-long-fields" => sub{ $fold_long_fields = 1 },
"--dont-fold-long-fields" => sub{ $fold_long_fields = 0 },
"--no-left" => sub{ $left = 0 },
"--no-right" => sub{ $right = 0 },
"--no-common" => sub{ $common = 0 },
"--use-perl-parser" => sub { $use_parser = "perl" },
"--use-c-parser" => sub { $use_parser = "c" },
'--options' => sub { options; exit },
'--help,--usage' => sub { usage; exit },
'--version' => sub { print get_version_string(), "\n"; exit }
);
push( @ARGV, "-" ) unless @ARGV > 1;
binmode STDOUT, ':encoding(UTF-8)';
binmode STDERR, ':encoding(UTF-8)';
if( @ARGV != 2 ) {
report_message( {
'program' => $0,
'err_level' => 'ERROR',
'message' => 'please supply two files for comparison'
}, $die_on_error_level->{'ERROR'} );
}
my $parser_options = { 'parser' => $use_parser, 'no_print' => 1 };
my ( $data1, $data2, $err_count, $messages );
( $data1, $err_count, $messages ) = parse_cif( $ARGV[0], $parser_options );
process_parser_messages( $messages, $die_on_error_level );
( $data2, $err_count, $messages ) = parse_cif( $ARGV[1], $parser_options );
process_parser_messages( $messages, $die_on_error_level );
my $min_datablocks = scalar @$data1;
if( scalar @$data1 != scalar @$data2 ) {
if( $min_datablocks > scalar @$data2 ) {
$min_datablocks = scalar @$data2;
}
report_message( {
'program' => $0,
'err_level' => 'WARNING',
'message' => 'number of data blocks in supplied files is different, '
. "taking first $min_datablocks data blocks for comparison"
}, $die_on_error_level->{'WARNING'} );
}
my $options = {
'compare_datablock_names' => $compare_datablock_names,
'fold' => $fold_long_fields,
'folding_width' => $folding_width,
'comparators' => \%comparators,
'ignore_empty_values' => $ignore_empty_values,
'suppress_left' => !$left,
'suppress_right' => !$right,
'suppress_common' => !$common };
if( $compare_only_selected == 1 ) {
@selected_tags = map { lc($_) } @selected_tags;
$options->{compare_only} = \@selected_tags;
}
if( @excluded_tags > 0 ) {
@excluded_tags = map { lc($_) } @excluded_tags;
$options->{compare_not} = \@excluded_tags;
}
for( my $i = 0; $i < $min_datablocks; $i++ ) {
diff( $data1->[$i], $data2->[$i], $options );
}
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