| line |
true |
false |
branch |
|
159
|
54 |
57 |
unless defined $line |
|
164
|
0 |
57 |
unless ($Smiles_parser->parse($smiles, $mol, \%opts)) |
|
170
|
56 |
1 |
if ($opts{'kekulize'}) |
|
276
|
58 |
480 |
if ($all eq '(') { } |
|
|
58 |
422 |
elsif ($all eq ')') { } |
|
|
409 |
13 |
elsif ($sym) { } |
|
|
13 |
0 |
elsif ($sym2) { } |
|
287
|
3 |
10 |
if ($hcnt eq 'H') { } |
|
292
|
13 |
0 |
unless ($chg =~ /\d/) |
|
293
|
1 |
12 |
$chg =~ /-/ ? : |
|
304
|
0 |
64 |
if ($@) |
|
305
|
0 |
0 |
if $$opts{'fatal'} |
|
325
|
358 |
64 |
if ($$self{'stack'}[-1]) |
|
329
|
28 |
28 |
if ($$self{'digits'}{$$dig{'dig'}}) { } |
|
330
|
0 |
0 |
if ($$dig{'bnd'} and $$self{'digits'}{$$dig{'dig'}}{'bnd'} and $$dig{'bnd'} ne $$self{'digits'}{$$dig{'dig'}}{'bnd'}) |
|
367
|
0 |
378 |
if $iso |
|
368
|
0 |
378 |
if $iso |
|
369
|
0 |
378 |
if $chir |
|
370
|
9 |
369 |
if defined $hcount |
|
371
|
1 |
377 |
if $chg |
|
372
|
71 |
307 |
if ($sym =~ /^[a-z]/) |
|
394
|
8 |
333 |
unless my $order = $type_to_order{$type} |
|
418
|
70 |
299 |
if ($atom->attr('smiles/aromatic') and $atom->symbol =~ /^[CN]$/) |
|
421
|
1 |
368 |
if $h_count < 0 |
|
432
|
1 |
406 |
if $h_count < 0 |
|
440
|
369 |
9 |
unless (defined $atom->hydrogens) |
|
454
|
1 |
58 |
if ($opts{'mols'}) { } |
|
468
|
62 |
0 |
if (@atoms) |
|
470
|
1 |
61 |
if ($opts{'auto_number'}) |
|
474
|
15 |
47 |
if ($opts{'unique'}) |
|
475
|
15 |
0 |
unless ($atoms[0]->attr('canon/class')) |
|
485
|
61 |
1 |
if ($opts{'aromatic'}) |
|
493
|
344 |
70 |
if $$visited{$atom} |
|
505
|
8 |
54 |
if ($opts{'name'}) |
|
520
|
368 |
368 |
if $$visited{$bond} |
|
522
|
24 |
344 |
if ($$visited{$nei}) { } |
|
539
|
24 |
390 |
if ($$digits{$atom}) |
|
545
|
24 |
0 |
$_ < 10 ? : |
|
554
|
344 |
392 |
if $$visited{$bond} |
|
555
|
24 |
368 |
if ($$visited{$nei}) |
|
558
|
24 |
0 |
$digit < 10 ? : |
|
567
|
392 |
344 |
if $$visited{$bond} |
|
569
|
344 |
0 |
unless ($$visited{$nei}) |
|
571
|
54 |
290 |
if ($prev_branch) |
|
584
|
24 |
2 |
unless ($$digits{'used_digits'}[$i]) |
|
595
|
190 |
638 |
if ($$opts{'unique'}) |
|
609
|
70 |
368 |
unless $bond |
|
610
|
95 |
273 |
if $$opts{'aromatic'} and $bond->aromatic |
|
618
|
95 |
319 |
if $$opts{'aromatic'} and $atom->aromatic |
|
622
|
8 |
399 |
if (not $ORGANIC_ELEMS{$atom->symbol} or $atom->formal_charge or $atom->total_hydrogens != $self->calc_implicit_hydrogens_2($atom) or $$opts{'number'} and defined $atom->name) |
|
632
|
0 |
15 |
if ($charge and abs $charge > 1) { } |
|
|
1 |
14 |
elsif ($charge) { } |
|
635
|
1 |
0 |
$charge > 0 ? : |
|
638
|
2 |
6 |
$h_count > 1 ? : |
|
|
8 |
7 |
$h_count ? : |
|
640
|
8 |
7 |
if $$opts{'number'} and defined $atom->name |