| line |
true |
false |
branch |
|
164
|
4 |
3 |
if (@_) { } |
|
183
|
531 |
560 |
if (@_) { } |
|
212
|
2 |
11 |
if (@_) { } |
|
216
|
2 |
9 |
if (defined $$self{'mass'}) { } |
|
|
2 |
7 |
elsif (defined $$self{'mass_number'}) { } |
|
219
|
0 |
2 |
if (eval {
do {
require Chemistry::Isotope
}
} and my $m = Chemistry::Isotope::isotope_mass($$self{'mass_number'}, $$self{'Z'})) { } |
|
258
|
6 |
21 |
if (@_) { } |
|
259
|
2 |
4 |
if (UNIVERSAL::isa($_[0], 'Math::VectorReal')) { } |
|
|
3 |
1 |
elsif (ref $_[0] eq 'ARRAY') { } |
|
297
|
0 |
0 |
if (@_) { } |
|
298
|
0 |
0 |
if (UNIVERSAL::isa($_[0], 'Chemistry::InternalCoords')) { } |
|
|
0 |
0 |
elsif (ref $_[0] eq 'ARRAY') { } |
|
401
|
4 |
0 |
if $nei->symbol eq 'H' |
|
420
|
4 |
17 |
if ($symbol =~ /^(?:[NOSFI]|Cl|Br)$/ and $charge == -1) { } |
|
|
4 |
13 |
elsif ($symbol =~ /^[NOSP]$/ and $charge == 1) { } |
|
|
2 |
11 |
elsif ($symbol eq 'C' and $charge) { } |
|
|
1 |
20 |
elsif ($symbol eq 'B' and $charge == -1) { } |
|
431
|
3 |
18 |
if ($radical == 1 or $radical == 3) { } |
|
|
2 |
16 |
elsif ($radical == 2) { } |
|
439
|
0 |
21 |
if $h_count < 0 |
|
523
|
20 |
20 |
if ($atom ne $self) |
|
570
|
553 |
8 |
if (@_) { } |
|
593
|
24 |
0 |
unless $from and $$b{'to'} eq $from |
|
611
|
35 |
0 |
unless $from and $$b{'to'} eq $from |
|
635
|
0 |
0 |
unless $from and $$b{'to'} eq $from |
|
655
|
3 |
1 |
if ($obj->isa('Chemistry::Atom')) { } |
|
|
1 |
0 |
elsif ($obj->isa('Math::VectorReal')) { } |
|
|
0 |
0 |
elsif ($obj->isa('Chemistry::Mol')) { } |
|
663
|
0 |
0 |
unless my $a = shift @atoms |
|
668
|
0 |
0 |
if $l < $min_length |
|
673
|
0 |
4 |
wantarray ? : |
|
687
|
0 |
8 |
unless @_ == 3 |
|
690
|
0 |
24 |
unless ref $a |
|
691
|
21 |
0 |
$a->isa('Math::VectorReal') ? : |
|
|
3 |
21 |
$a->isa('Chemistry::Atom') ? : |
|
697
|
4 |
4 |
unless my $l = $v1->length * $v2->length |
|
721
|
0 |
3 |
unless @_ == 4 |
|
724
|
8 |
0 |
$a->isa('Math::VectorReal') ? : |
|
|
4 |
8 |
$a->isa('Chemistry::Atom') ? : |
|
734
|
0 |
3 |
$v1 . $x2 > 0 ? : |
|
807
|
0 |
0 |
unless $atom->formal_charge |
|
814
|
0 |
0 |
$1 ? : |
|
816
|
0 |
1 |
$1 ? : |
|
818
|
0 |
1 |
$1 ? : |
|
820
|
0 |
1 |
$1 ? : |