| line |
true |
false |
branch |
|
36
|
2 |
0 |
unless $order_sub |
|
39
|
2 |
13 |
if is_double_bond($graph, @$_) and not is_ring_bond($graph, @$_) |
|
57
|
2 |
13 |
unless is_single_bond($graph, @$bond) |
|
59
|
3 |
10 |
if ($incident_double_bonds{$bond->[0]}) |
|
63
|
1 |
12 |
if ($incident_double_bonds{$bond->[1]}) |
|
69
|
4 |
0 |
if $bond1 == $bond2 |
|
96
|
2 |
0 |
if %distinct_invariants_now <= %distinct_invariants |
|
109
|
0 |
0 |
unless $invariants{join "", sort(@$b)} <=> $invariants{join "", sort(@$a)} or &min(map({&$order_sub($_);} @$a)) <=> &min(map({&$order_sub($_);} @$b)) |
|
124
|
0 |
1 |
unless $order_sub |
|
128
|
0 |
1 |
if @neighbours2 < 2 or @neighbours3 < 2 |
|
143
|
0 |
1 |
if (@cistrans_bonds2 + @cistrans_bonds3 > 1) |
|
150
|
0 |
0 |
if (@neighbours2 == 2 and not @cistrans_bonds2 and not &any(sub {
is_single_bond($graph, $atom2, $_);
}
, @neighbours2) or @neighbours3 == 2 and not @cistrans_bonds3 and not &any(sub {
is_single_bond($graph, $atom3, $_);
}
, @neighbours3)) |
|
165
|
0 |
1 |
if (@cistrans_bonds3 or not @cistrans_bonds2 and &$order_sub($atom2) > &$order_sub($atom3)) |
|
186
|
2 |
0 |
if ($setting) |
|
193
|
0 |
1 |
unless ($bond_will_be_marked) |
|
201
|
0 |
1 |
@cistrans_bonds2 ? : |
|
202
|
1 |
0 |
unless (@cistrans_bonds2) |
|
210
|
0 |
2 |
unless $setting |
|
212
|
1 |
1 |
if $setting eq "cis" |
|
213
|
0 |
2 |
if $atom1->{'number'} > $atom2->{'number'} |
|
214
|
0 |
2 |
if $atom4->{'number'} < $atom3->{'number'} |
|
216
|
1 |
1 |
unless $atom4_marked |
|
220
|
1 |
1 |
if $atom1 eq $first_atom |
|
223
|
0 |
1 |
unless $setting |
|
225
|
1 |
0 |
if $setting eq "cis" |
|
226
|
1 |
0 |
if $atom1->{'number'} > $atom2->{'number'} |
|
227
|
0 |
1 |
if $atom4->{'number'} < $atom3->{'number'} |
|
239
|
10 |
1 |
unless &Chemistry::OpenSMILES::is_chiral_tetrahedral($atom) |
|
241
|
0 |
1 |
unless @{$atom->{'chirality_neighbours'};} >= 3 and @{$atom->{'chirality_neighbours'};} <= 4 |
|
244
|
0 |
1 |
if (@chirality_neighbours == 3) |
|
249
|
1 |
0 |
if ($atom->{'chirality'} eq "\@") |
|
259
|
2 |
2 |
if ($i % 2) |
|
287
|
2 |
13 |
if is_double_bond($moiety, @$_) and not is_ring_bond($moiety, @$_) |
|
298
|
0 |
1 |
if @atom2_neighbours < 2 or @atom2_neighbours > 3 or @atom3_neighbours < 2 or @atom3_neighbours > 3 |
|
305
|
0 |
1 |
unless $atom1 and $atom4 |
|
307
|
2 |
1 |
if $_ != $atom1 |
|
308
|
2 |
1 |
if $_ != $atom4 |
|
313
|
0 |
1 |
if $atom1->{'number'} > $atom2->{'number'} |
|
314
|
0 |
1 |
if $atom3->{'number'} > $atom4->{'number'} |
|
316
|
0 |
1 |
$is_cis ? : |
|
318
|
1 |
0 |
if ($atom1_para) |
|
319
|
0 |
1 |
$is_cis ? : |
|
322
|
1 |
0 |
if ($atom4_para) |
|
323
|
0 |
1 |
$is_cis ? : |
|
326
|
1 |
0 |
if ($atom1_para and $atom4_para) |
|
327
|
0 |
1 |
$is_cis ? : |
|
334
|
14 |
5 |
unless is_cis_trans_bond($moiety, @$bond) |
|
353
|
0 |
4 |
if (@a_neighbours == 2 and &all(sub {
$moiety->degree($_) == 1;
}
, @a_neighbours)) |
|
355
|
0 |
0 |
if write_SMILES($a_neighbours[0]) eq write_SMILES($a_neighbours[1]) |
|
359
|
2 |
2 |
if (@b_neighbours == 2 and &all(sub {
$moiety->degree($_) == 1;
}
, @b_neighbours)) |
|
361
|
2 |
0 |
if write_SMILES($b_neighbours[0]) eq write_SMILES($b_neighbours[1]) |