| line |
true |
false |
branch |
|
108
|
0 |
180 |
if ref $class |
|
133
|
161 |
539 |
if (&is_aromatic($_[1]{'last'}) and &is_aromatic($_[2])) |
|
152
|
196 |
7 |
if ($_[2] ne '-') { } |
|
183
|
2 |
376 |
if ($_[0]{'USER'}{'OPTIONS'}{'report_unnecessary_dot_usage'} and $_[3]{'first'}{'index'} != $_[3]{'last'}{'index'}) |
|
188
|
353 |
25 |
if ($_[1]{'last'}{'index'} != $_[3]{'first'}{'index'}) |
|
195
|
25 |
353 |
if (&is_aromatic($_[1]{'last'}) and &is_aromatic($_[3]{'first'})) |
|
209
|
1 |
45 |
if ($_[0]{'USER'}{'OPTIONS'}{'report_unnecessary_dot_usage'} and $_[4]{'first'}{'index'} != $_[4]{'last'}{'index'}) |
|
214
|
43 |
3 |
if ($_[1]{'last'}{'index'} != $_[4]{'first'}{'index'}) |
|
219
|
44 |
2 |
if ($_[3] ne '-') { } |
|
236
|
4 |
3 |
if ($_[0]{'USER'}{'OPTIONS'}{'report_unnecessary_dot_usage'}) |
|
268
|
0 |
10 |
if $self->{'USER'}{'FILEIN'} |
|
270
|
1 |
9 |
if (${$self->{'TOKEN'};} eq "" and grep {$_ eq "(" if defined $_ and not ref $_;} map({$_->[1];} @{$$self{"STACK"};})) |
|
271
|
2 |
5 |
if defined $_ and not ref $_ |
|
276
|
2 |
7 |
if (${$self->{'TOKEN'};} eq ")") |
|
281
|
6 |
1 |
if ($self->YYData->{'INPUT'}) { } |
|
295
|
0 |
321 |
if (not $self->YYData->{'INPUT'} and $self->{'USER'}{'FILEIN'}) |
|
301
|
0 |
3473 |
if ($self->YYData->{'INPUT'} =~ s/^(\s+)//) |
|
306
|
2 |
3471 |
if (defined $self->{'USER'}{'OPTIONS'}{'max_hydrogen_count_digits'}) |
|
312
|
238 |
3235 |
if ($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) |
|
329
|
4 |
234 |
if ($atom->{'symbol'} eq '*' or $atom->{'symbol'} eq 'Db') { } |
|
|
2 |
232 |
elsif ($atom->{'symbol'} eq lc $atom->{'symbol'} and not $atom->{'symbol'} =~ /^(as|se|[bcnops])$/) { } |
|
|
5 |
227 |
elsif ($atom->{'symbol'} eq 'Ha' or not 'Chemistry::Elements'->new($atom->{'symbol'})) { } |
|
339
|
23 |
208 |
if ($atom->{'charge'}) |
|
345
|
29 |
202 |
if ($atom->{'hcount'}) { } |
|
347
|
13 |
16 |
$atom->{'hcount'} ? : |
|
352
|
6 |
225 |
if ($atom->{'isotope'}) |
|
357
|
14 |
217 |
exists $atom->{'class'} ? : |
|
363
|
1464 |
1771 |
if ($self->YYData->{'INPUT'} =~ s/^(Br|Cl|[BCINOPSFbcnops*])//) |
|
373
|
255 |
1516 |
if ($self->YYData->{'INPUT'} =~ s/^%([0-9]{2})// or $self->YYData->{'INPUT'} =~ s/^([0-9])//) |
|
380
|
1196 |
320 |
if ($char ne "") |
|
390
|
185 |
152 |
unless $options |
|
402
|
2 |
316 |
if (scalar keys %{$$self{"USER"}{"RINGBONDS"};}) |
|
413
|
742 |
932 |
if $options->{'raw'} |
|
416
|
778 |
154 |
unless (exists $atom->{'hcount'}) |
|
417
|
2 |
776 |
unless exists $Chemistry::OpenSMILES::Parser::normal_valence{$atom->{'symbol'}} |
|
418
|
919 |
367 |
$_ ne ':' && exists $Chemistry::OpenSMILES::Parser::bond_symbol_to_order{$_} ? : |
|
419
|
562 |
724 |
$graph->has_edge_attribute($atom, $_, 'bond') ? : |
|
425
|
4 |
772 |
unless defined $valence |
|
434
|
8 |
901 |
if (&is_chiral($atom)) |
|
435
|
8 |
0 |
if ($atom->{'chirality_neighbours'}) { } |
|
436
|
4 |
4 |
if (&any(sub {
$_->{'number'} < $atom->{'number'};
}
, @{$$atom{'chirality_neighbours'};})) { } |
|
451
|
57 |
869 |
if (&is_chiral($atom)) |
|
452
|
54 |
3 |
if ($atom->{'chirality'} =~ /^\@\@?$/) |
|
453
|
9 |
45 |
if ($graph->degree($atom) == 2) { } |
|
|
1 |
44 |
elsif ($graph->degree($atom) == 5) { } |
|
|
2 |
42 |
elsif ($graph->degree($atom) == 6) { } |
|
474
|
126 |
129 |
if ($self->{'USER'}{'RINGBONDS'}{$ring_bond}) { } |
|
478
|
0 |
12 |
if ($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 '\\') |
|
490
|
2 |
123 |
if ($bond and not defined $self->{'USER'}{'RINGBONDS'}{$ring_bond}{'bond'}) |
|
497
|
1 |
124 |
if $atom == $ring_atom |
|
498
|
36 |
70 |
if (not $bond and &is_aromatic($ring_atom) and &is_aromatic($atom)) |
|
501
|
51 |
73 |
if ($bond and $bond ne '-') { } |
|
511
|
4 |
0 |
if (&is_chiral($ring_atom) and $ring_atom->{'chirality_neighbours'}) |
|
513
|
5 |
2 |
if not ref $ring_atom->{'chirality_neighbours'}[$_] |
|
515
|
4 |
0 |
if defined $pos |
|
519
|
17 |
112 |
$bond ? : |
|
531
|
91 |
431 |
if $index1 == $index2 |
|
544
|
151 |
378 |
if ($attributes) { } |
|
557
|
2139 |
344 |
unless &is_chiral($atom1) |
|
564
|
421 |
7 |
unless &is_chiral($atom1) |