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lib/Chemistry/Harmonia.pm  view on Meta::CPAN

    for( my $i = 0; $i <= $n; $i++ ){
	$cf->[$i + $n + 1] = $cf->[$i].$oxi;	# add oxigen to { C H N P } -> { CO HO NO PO }
	$cf->[$i] .= $z;	# add 'o' to { C H N P } -> { Co Ho No Po }
    }
}

sub _in_gf{
    my($s, $maU, $maUl, $cf) = @_;

    # Unary symbols of fragment
    my @i_maU = grep $s =~ /$_/i, @$maU;

    if( length($s) == 1 ){	# Unary atom symbol
	@i_maU || return;

	$_ .= $i_maU[0] for @$cf;
	return 1;
    }

    # Double symbols of fragment
    ( my @i_maUl = grep $s =~ /$_/i, @$maUl ) || @i_maU || return; # not present

    # Strings of unary and double atom letters
    my $saU = join '', @i_maU;	# String of unary atom letters
    my $saUl = join '|', @i_maUl; # 1th - CAPITAL, 2th - small

    my @w;	# Anchor symbols

    # Unique unary symbols (is not present in double)
    for( @i_maU ){

lib/Chemistry/Harmonia.pm  view on Meta::CPAN

	if( length $z ){

	    $_ .= $z for @$cf;
	    return 1 if length($z) == length;	# The end

	    s/^$z//;
	    return &_in_gf($_, \@i_maU, \@i_maUl, $cf) if 3 > length;
	}
    }

    if( @w ){	# Search by fragments of anchor symbols 
	my $m = join '|', @w;

	for my $f (split /($m)/, $s){

	    &_in_gf($f, \@i_maU, \@i_maUl, $cf);

	    if( $#{$cf} ){ # For >1 formula
		# To leave the longest fragments
		for( my $i = $#$cf; $i > 0; $i-- ){
		    splice @$cf, $i, 1 if length( $cf->[$i] ) < length( $cf->[0] );
		}
	    }
	}
	return 1;
    }

    # Difficult fragment
    my $cf_copy = [ @$cf ];
    $#{$cf} = -1;	# Reset

_M_gf_1: # Letter by letter search
    for( my $i = 1; $i < length($s); $i++ ){

        my $cf_new = [ @$cf_copy ];

	for( $s =~ /^(\w{$i})(\w+)/ ){
	    &_in_gf($_, \@i_maU, \@i_maUl, $cf_new) || next _M_gf_1;
	}
	# To accumulate only unique, big fragments
	for my $k ( @$cf_new ){
	    scalar( grep length($_) > length($k) || $_ eq $k, @$cf ) || push @$cf, $k;
	}
    }
    return 1;
}


# Tactico-technical characteristics of chemical reaction.
# Return quantity hash (SAR):