| line |
true |
false |
branch |
|
44
|
1 |
4 |
unless my $mol = shift()
|
|
49
|
1 |
3 |
if (scalar @matoms != scalar @atoms)
|
|
53
|
1 |
116 |
if ($matoms[$i]->Z != $atoms[$i]->Z)
|
|
88
|
0 |
6 |
unless my $format = shift()
|
|
100
|
1 |
3 |
unless @atoms > 1
|
|
123
|
1 |
3 |
unless @atoms > 2
|
|
145
|
520 |
1040 |
unless $atom->has_name
|
|
155
|
1 |
3 |
unless @atoms > 3
|
|
203
|
0 |
1 |
unless @attrs
|
|
226
|
0 |
1 |
unless defined $fudge
|
|
229
|
0 |
1 |
unless @sulfs
|
|
239
|
9 |
342 |
if ($dist <= $dcut)
|
|
277
|
5 |
1 |
if exists $args{'fudge'}
|
|
278
|
1 |
5 |
if exists $args{'max_bonds'}
|
|
286
|
9 |
28 |
if $at_i->bond_count >= $max_bonds
|
|
290
|
28 |
1002 |
if &refaddr($at_i) == &refaddr($at_j)
|
|
291
|
158 |
844 |
if $at_j->bond_count >= $max_bonds
|
|
295
|
33 |
811 |
if ($dist <= $cov_i + $cov_j + $fudge)
|
|
376
|
0 |
1 |
unless $nrd1 == $nrd2 and $nrd1 > 0
|
|
493
|
0 |
0 |
unless $nrd1 == $nrd2 and $nrd1 > 0
|
|
497
|
0 |
0 |
if (defined $w) { }
|
|
504
|
0 |
0 |
unless $nrd1 == scalar @w
|
|
526
|
0 |
0 |
if (scalar keys %$visited > 80)
|
|
533
|
0 |
0 |
unless grep {$at->iatom == $_;} keys %{$visited;}
|
|
545
|
0 |
0 |
if $$visited{$cand->iatom}
|
|
583
|
1 |
0 |
if $onorm / $dnorm <= "1e-12"
|
|
587
|
0 |
0 |
if (abs $b > 0)
|
|
589
|
0 |
0 |
if (abs($dma) + abs($b) <= abs $dma) { }
|
|
595
|
0 |
0 |
if $q < 0
|
|
634
|
0 |
6 |
if ($d[$i] < $dtemp)
|
|
640
|
0 |
3 |
if ($k > $j)
|