| line |
true |
false |
branch |
|
46
|
1 |
4 |
unless my $mol = shift()
|
|
51
|
1 |
3 |
if (scalar @matoms != scalar @atoms)
|
|
55
|
1 |
116 |
if ($matoms[$i]->Z != $atoms[$i]->Z)
|
|
90
|
0 |
6 |
unless my $format = shift()
|
|
102
|
1 |
3 |
unless @atoms > 1
|
|
125
|
1 |
3 |
unless @atoms > 2
|
|
147
|
520 |
1040 |
unless $atom->has_name
|
|
157
|
1 |
3 |
unless @atoms > 3
|
|
205
|
0 |
1 |
unless @attrs
|
|
228
|
0 |
1 |
unless defined $fudge
|
|
231
|
0 |
1 |
unless @sulfs
|
|
241
|
9 |
342 |
if ($dist <= $dcut)
|
|
279
|
5 |
1 |
if exists $args{'fudge'}
|
|
280
|
1 |
5 |
if exists $args{'max_bonds'}
|
|
288
|
9 |
28 |
if $at_i->bond_count >= $max_bonds
|
|
292
|
28 |
1002 |
if &refaddr($at_i) == &refaddr($at_j)
|
|
293
|
158 |
844 |
if $at_j->bond_count >= $max_bonds
|
|
297
|
33 |
811 |
if ($dist <= $cov_i + $cov_j + $fudge)
|
|
378
|
0 |
1 |
unless $nrd1 == $nrd2 and $nrd1 > 0
|
|
495
|
0 |
0 |
unless $nrd1 == $nrd2 and $nrd1 > 0
|
|
499
|
0 |
0 |
if (defined $w) { }
|
|
506
|
0 |
0 |
unless $nrd1 == scalar @w
|
|
528
|
0 |
0 |
if (scalar keys %$visited > 80)
|
|
535
|
0 |
0 |
unless grep {$at->iatom == $_;} keys %{$visited;}
|
|
547
|
0 |
0 |
if $$visited{$cand->iatom}
|
|
585
|
1 |
0 |
if $onorm / $dnorm <= 1e-12
|
|
589
|
0 |
0 |
if (abs $b > 0)
|
|
591
|
0 |
0 |
if (abs($dma) + abs($b) <= abs $dma) { }
|
|
597
|
0 |
0 |
if $q < 0
|
|
636
|
0 |
6 |
if ($d[$i] < $dtemp)
|
|
642
|
0 |
3 |
if ($k > $j)
|