#!/usr/bin/perl
my
@cases
= (
[
'N[C@](Br)(O)C'
, 1, 1,
'N([C@@](Br)(O)(C))'
],
[
'N[C@@](Br)(O)C'
, 1, 1,
'N([C@](Br)(O)(C))'
],
[
'N(C)(Br)(O)C'
, 0, 0,
'N(C)(Br)(O)(C)'
],
[
'N(C)(Br)(O)C'
, 0, 0,
'N(C)(Br)(O)(C)'
],
[
'N[C@AL1](Br)(O)C'
, 1, 0,
'N([C](Br)(O)(C))'
],
);
plan
tests
=> 3 *
scalar
@cases
;
for
my
$case
(
@cases
) {
my
$parser
;
my
$moiety
;
my
$result
;
$parser
= Chemistry::OpenSMILES::Parser->new;
(
$moiety
) =
$parser
->parse(
$case
->[0], {
raw
=> 1 } );
is is_chiral(
$moiety
) + 0,
$case
->[1];
is Chemistry::OpenSMILES::is_chiral_tetrahedral(
$moiety
) + 0,
$case
->[2];
mirror(
$moiety
);
is write_SMILES(
$moiety
, {
raw
=> 1 } ),
$case
->[3];
}