| line |
true |
false |
branch |
|
28
|
0 |
234 |
if ref $class |
|
54
|
45 |
254 |
if (&is_aromatic($_[1]{'last'}) and &is_aromatic($_[2])) |
|
75
|
55 |
5 |
if ($_[2] ne '-') { } |
|
108
|
184 |
10 |
if ($_[1]{'last'}{'index'} != $_[3]{'first'}{'index'}) |
|
115
|
3 |
191 |
if (&is_aromatic($_[1]{'last'}) and &is_aromatic($_[3]{'first'})) |
|
131
|
36 |
5 |
if ($_[1]{'last'}{'index'} != $_[4]{'first'}{'index'}) |
|
136
|
39 |
2 |
if ($_[3] ne '-') { } |
|
180
|
0 |
10 |
if $self->{'USER'}{'FILEIN'} |
|
182
|
1 |
9 |
if (${$self->{'TOKEN'};} eq "" and grep {$_ eq "(" if defined $_ and not ref $_;} map({$_->[1];} @{$$self{"STACK"};})) |
|
183
|
2 |
5 |
if defined $_ and not ref $_ |
|
188
|
2 |
7 |
if (${$self->{'TOKEN'};} eq ")") |
|
193
|
6 |
1 |
if ($self->YYData->{'INPUT'}) { } |
|
207
|
0 |
228 |
if (not $self->YYData->{'INPUT'} and $self->{'USER'}{'FILEIN'}) |
|
213
|
0 |
1824 |
if ($self->YYData->{'INPUT'} =~ s/^(\s+)//) |
|
218
|
2 |
1822 |
if (defined $self->{'USER'}{'OPTIONS'}{'max_hydrogen_count_digits'}) |
|
224
|
107 |
1717 |
if ($self->YYData->{'INPUT'} =~ s/^\[ (?[0-9]+)?
(?[A-Za-z][a-z]?|\*)
(?@(
(TH|AL)[12] |
SP [123] |
(TB|OH)[0-9]{1,2} |
\@?
))?
(? $hcount_re)?
(?--|\+\+|[-+][0-9]{0,2})?
(:(?[0-9]+))? \]//x) |
|
239
|
19 |
88 |
if ($atom->{'charge'}) |
|
245
|
17 |
90 |
if ($atom->{'hcount'}) { } |
|
247
|
10 |
7 |
$atom->{'hcount'} ? : |
|
252
|
6 |
101 |
if ($atom->{'isotope'}) |
|
257
|
0 |
107 |
exists $atom->{'class'} ? : |
|
263
|
733 |
984 |
if ($self->YYData->{'INPUT'} =~ s/^(Br|Cl|[BCINOPSFbcnops*])//) |
|
273
|
133 |
851 |
if ($self->YYData->{'INPUT'} =~ s/^%([0-9]{2})// or $self->YYData->{'INPUT'} =~ s/^([0-9])//) |
|
280
|
624 |
227 |
if ($char ne "") |
|
290
|
94 |
142 |
unless $options |
|
302
|
2 |
223 |
if (scalar keys %{$$self{"USER"}{"RINGBONDS"};}) |
|
313
|
268 |
552 |
unless ($options->{'raw'}) |
|
315
|
207 |
61 |
unless (exists $atom->{'hcount'}) |
|
316
|
2 |
205 |
unless exists $Chemistry::OpenSMILES::Parser::normal_valence{$atom->{'symbol'}} |
|
317
|
227 |
62 |
exists $bond_order{$_} ? : |
|
318
|
96 |
193 |
$graph->has_edge_attribute($atom, $_, 'bond') ? : |
|
322
|
4 |
201 |
unless $degree |
|
325
|
1 |
204 |
unless defined $valence |
|
334
|
131 |
184 |
if ($atom->{'first_of_chain'}) { } |
|
343
|
23 |
242 |
if (&is_chiral($atom)) |
|
344
|
1 |
22 |
if ($atom->{'chirality'} =~ /^\@\@?$/ and $graph->degree($atom) == 2) |
|
354
|
2 |
5 |
if (&is_chiral($atom) and $atom->{'first_of_chain'} and $atom->{'chirality'} =~ /^\@\@?$/ and $atom->{'chirality_neighbours'} and scalar @{$atom->{'chirality_neighbours'};} == 3) |
|
359
|
1 |
1 |
$atom->{'chirality'} eq '@' ? : |
|
372
|
65 |
68 |
if ($self->{'USER'}{'RINGBONDS'}{$ring_bond}) { } |
|
376
|
0 |
9 |
if ($bond and $self->{'USER'}{'RINGBONDS'}{$ring_bond}{'bond'} and !($bond =~ m[^[\\/]$]) && $bond ne $self->{'USER'}{'RINGBONDS'}{$ring_bond}{'bond'} || $bond eq '\\' && $self->{'USER'}{'RINGBONDS'}{$ring_bond}{'bond'} ne '/' || $bond eq '/' && $self->{'USER'}{'RINGBONDS'}{$ring_bond}{'bond'} ne '\\') |
|
388
|
1 |
14 |
if ($bond and $bond =~ m[^[\\/]$] and not defined $self->{'USER'}{'RINGBONDS'}{$ring_bond}{'bond'}) |
|
396
|
9 |
40 |
if (not $bond and &is_aromatic($ring_atom) and &is_aromatic($atom)) |
|
399
|
21 |
43 |
if ($bond and $bond ne '-') { } |
|
409
|
3 |
0 |
if (&is_chiral($ring_atom) and $ring_atom->{'chirality_neighbours'}) |
|
411
|
4 |
8 |
if not ref $ring_atom->{'chirality_neighbours'}[$_] |
|
413
|
3 |
0 |
if defined $pos |
|
417
|
14 |
54 |
$bond ? : |
|
429
|
43 |
242 |
if $index1 == $index2 |
|
442
|
63 |
312 |
if ($attributes) { } |
|
455
|
1109 |
160 |
unless &is_chiral($atom1) |
|
462
|
363 |
3 |
unless &is_chiral($atom1) |