line |
stmt |
bran |
cond |
sub |
pod |
time |
code |
1
|
|
|
|
|
|
|
package Chemistry::File::Dumper; |
2
|
|
|
|
|
|
|
$VERSION = '0.37'; |
3
|
|
|
|
|
|
|
|
4
|
|
|
|
|
|
|
require 5.006; |
5
|
11
|
|
|
11
|
|
255185
|
use strict; |
|
11
|
|
|
|
|
31
|
|
|
11
|
|
|
|
|
416
|
|
6
|
11
|
|
|
11
|
|
63
|
use warnings; |
|
11
|
|
|
|
|
20
|
|
|
11
|
|
|
|
|
793
|
|
7
|
11
|
|
|
11
|
|
112
|
use base "Chemistry::File"; |
|
11
|
|
|
|
|
20
|
|
|
11
|
|
|
|
|
13215
|
|
8
|
11
|
|
|
11
|
|
10409
|
use Chemistry::Mol; # should I use it? |
|
11
|
|
|
|
|
43
|
|
|
11
|
|
|
|
|
755
|
|
9
|
11
|
|
|
11
|
|
17963
|
use Data::Dumper; |
|
11
|
|
|
|
|
113505
|
|
|
11
|
|
|
|
|
1298
|
|
10
|
11
|
|
|
11
|
|
118
|
use Carp; |
|
11
|
|
|
|
|
24
|
|
|
11
|
|
|
|
|
5032
|
|
11
|
|
|
|
|
|
|
|
12
|
|
|
|
|
|
|
=head1 NAME |
13
|
|
|
|
|
|
|
|
14
|
|
|
|
|
|
|
Chemistry::File::Dumper - Read and write molecules via Data::Dumper |
15
|
|
|
|
|
|
|
|
16
|
|
|
|
|
|
|
=head1 SYNOPSIS |
17
|
|
|
|
|
|
|
|
18
|
|
|
|
|
|
|
use Chemistry::File::Dumper; |
19
|
|
|
|
|
|
|
|
20
|
|
|
|
|
|
|
my $mol = Chemistry::Mol->read("mol.pl"); |
21
|
|
|
|
|
|
|
print $mol->print(format => dumper); |
22
|
|
|
|
|
|
|
$mol->write("mol.pl", format => "dumper"); |
23
|
|
|
|
|
|
|
|
24
|
|
|
|
|
|
|
=cut |
25
|
|
|
|
|
|
|
|
26
|
|
|
|
|
|
|
|
27
|
|
|
|
|
|
|
|
28
|
|
|
|
|
|
|
=head1 DESCRIPTION |
29
|
|
|
|
|
|
|
|
30
|
|
|
|
|
|
|
This module hooks the Data::Dumper Perl core module to the Chemistry::File |
31
|
|
|
|
|
|
|
API, allowing you to dump and undump Chemistry::Mol objects easily. |
32
|
|
|
|
|
|
|
This module automatically registers the "dumper" format with Chemistry::Mol. |
33
|
|
|
|
|
|
|
|
34
|
|
|
|
|
|
|
For purposes of automatic file type guessing, this module assumes that |
35
|
|
|
|
|
|
|
dumped files end in C<.pl>. |
36
|
|
|
|
|
|
|
|
37
|
|
|
|
|
|
|
This module is useful mainly for debugging purposes, as it dumps I the |
38
|
|
|
|
|
|
|
information available in an object, in a reproducible way (so you can use |
39
|
|
|
|
|
|
|
it to compare molecule objects). However, it wouldn't be a good idea to use it |
40
|
|
|
|
|
|
|
to read untrusted files, because they may contain arbitrary Perl code. |
41
|
|
|
|
|
|
|
|
42
|
|
|
|
|
|
|
=cut |
43
|
|
|
|
|
|
|
|
44
|
|
|
|
|
|
|
Chemistry::Mol->register_format(dumper => __PACKAGE__); |
45
|
|
|
|
|
|
|
|
46
|
|
|
|
|
|
|
=head1 OPTIONS |
47
|
|
|
|
|
|
|
|
48
|
|
|
|
|
|
|
The following options can be used when writing a molecule either as |
49
|
|
|
|
|
|
|
a file or as a string. |
50
|
|
|
|
|
|
|
|
51
|
|
|
|
|
|
|
=over 4 |
52
|
|
|
|
|
|
|
|
53
|
|
|
|
|
|
|
=item dumper_indent |
54
|
|
|
|
|
|
|
|
55
|
|
|
|
|
|
|
Value to give to Data::Dumper::Indent. Default is 1. |
56
|
|
|
|
|
|
|
|
57
|
|
|
|
|
|
|
=item dumper_purity |
58
|
|
|
|
|
|
|
|
59
|
|
|
|
|
|
|
Value to give to Data::Dumper::Purity. Default is 1. |
60
|
|
|
|
|
|
|
|
61
|
|
|
|
|
|
|
=back |
62
|
|
|
|
|
|
|
|
63
|
|
|
|
|
|
|
There are no special options for reading. |
64
|
|
|
|
|
|
|
|
65
|
|
|
|
|
|
|
=cut |
66
|
|
|
|
|
|
|
|
67
|
|
|
|
|
|
|
sub write_mol { |
68
|
6
|
|
|
6
|
1
|
26
|
my ($self, $fh, $mol, %opts) = @_; |
69
|
6
|
|
|
|
|
67
|
my $d = Data::Dumper->new([$mol],['$mol']); |
70
|
|
|
|
|
|
|
# sort the keys if this version of Data::Dumper supports it |
71
|
6
|
50
|
|
|
|
277
|
$d->Sortkeys(1) if $d->can('Sortkeys'); |
72
|
6
|
50
|
|
|
|
77
|
print $fh $d |
|
|
50
|
|
|
|
|
|
73
|
|
|
|
|
|
|
->Indent(exists $opts{dumper_indent} ? $opts{dumper_indent} : 1) |
74
|
|
|
|
|
|
|
->Purity(exists $opts{dumper_purity} ? $opts{dumper_purity} : 1) |
75
|
|
|
|
|
|
|
->Dump; |
76
|
|
|
|
|
|
|
} |
77
|
|
|
|
|
|
|
|
78
|
|
|
|
|
|
|
sub read_mol { |
79
|
28
|
|
|
28
|
1
|
103
|
my ($self, $fh, %opts) = @_; |
80
|
28
|
|
|
|
|
46
|
my $mol; |
81
|
28
|
|
|
|
|
43
|
my $s = do { local $/; <$fh> }; |
|
28
|
|
|
|
|
127
|
|
|
28
|
|
|
|
|
1245
|
|
82
|
28
|
100
|
|
|
|
161
|
return unless $s; |
83
|
14
|
|
|
|
|
55844
|
eval $s; |
84
|
14
|
50
|
|
|
|
202
|
if ($@) { |
85
|
0
|
0
|
|
|
|
0
|
croak "Dumper eval error: $@" if $opts{fatal}; |
86
|
0
|
|
|
|
|
0
|
return; |
87
|
|
|
|
|
|
|
} |
88
|
14
|
|
|
|
|
107
|
$mol->_weaken; |
89
|
14
|
|
|
|
|
124
|
$mol; |
90
|
|
|
|
|
|
|
} |
91
|
|
|
|
|
|
|
|
92
|
|
|
|
|
|
|
sub name_is { |
93
|
10
|
|
|
10
|
1
|
33
|
my ($self, $name, %opts) = @_; |
94
|
10
|
|
|
|
|
130
|
$name =~ /\.pl$/i; |
95
|
|
|
|
|
|
|
} |
96
|
|
|
|
|
|
|
|
97
|
|
|
|
|
|
|
sub string_is { |
98
|
0
|
|
|
0
|
1
|
|
my ($self, $s, %opts) = @_; |
99
|
0
|
|
|
|
|
|
$s =~ /^\$mol/; |
100
|
|
|
|
|
|
|
} |
101
|
|
|
|
|
|
|
|
102
|
|
|
|
|
|
|
1; |
103
|
|
|
|
|
|
|
|
104
|
|
|
|
|
|
|
=head1 VERSION |
105
|
|
|
|
|
|
|
|
106
|
|
|
|
|
|
|
0.37 |
107
|
|
|
|
|
|
|
|
108
|
|
|
|
|
|
|
=head1 SEE ALSO |
109
|
|
|
|
|
|
|
|
110
|
|
|
|
|
|
|
L, L, L |
111
|
|
|
|
|
|
|
|
112
|
|
|
|
|
|
|
=head1 AUTHOR |
113
|
|
|
|
|
|
|
|
114
|
|
|
|
|
|
|
Ivan Tubert-Brohman |
115
|
|
|
|
|
|
|
|
116
|
|
|
|
|
|
|
=head1 COPYRIGHT |
117
|
|
|
|
|
|
|
|
118
|
|
|
|
|
|
|
Copyright (c) 2005 Ivan Tubert-Brohman. All rights reserved. This program is |
119
|
|
|
|
|
|
|
free software; you can redistribute it and/or modify it under the same terms as |
120
|
|
|
|
|
|
|
Perl itself. |
121
|
|
|
|
|
|
|
|
122
|
|
|
|
|
|
|
=cut |
123
|
|
|
|
|
|
|
|