1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
|
use strict;
use warnings;
use Test::More;
use Chemistry::File::MDLMol;
my @patt_files = glob 't/pat/*.mol';
my @mol_files = glob 't/mol/*.mol';
if (eval "use Chemistry::Pattern; 1") {
plan tests => 1 + 1 * @patt_files + 1 * @patt_files * @mol_files;
#plan 'no_plan';
ok(1, "loaded Chemistry::Pattern");
} else {
plan skip_all => 'Chemistry::Pattern not installed';
}
#$Chemistry::File::MDLMol::DEBUG = 1;
for my $patt_file (@patt_files) {
my $patt = Chemistry::Pattern->read($patt_file);
isa_ok ($patt, 'Chemistry::Pattern');
my ($patt_basename) = $patt_file =~ /([^\/]*)\.mol/;
my %expected = split " ", $patt->name;
for my $mol_file (@mol_files) {
my ($mol_basename) = $mol_file =~ /([^\/]*)\.mol/;
$expected{$mol_basename} ||= 0;
my $mol = Chemistry::Mol->read($mol_file);
Chemistry::Ring::aromatize_mol($mol);
my $n = 0;
$n++ while $patt->match($mol);
is ($n, $expected{$mol_basename},
"$patt_basename matches $mol_basename $expected{$mol_basename} times?");
}
}
|
