| line |
!l |
l&&!r |
l&&r |
condition |
|
296
|
0 |
0 |
0 |
$opts{'method'} and $opts{'method'} eq 'baber' |
|
373
|
0 |
0 |
0 |
not $$opts{'funny'}{$atom} and wants_more_bonds($atom) |
|
522
|
0 |
0 |
0 |
$$pars{'id'} < $l_obs and $l_obs < $$pars{'wsd'} |
|
|
0 |
0 |
0 |
$$pars{'id'} > $l_obs and $l_obs > $$pars{'wdt'} |
|
577
|
0 |
0 |
0 |
@neighbors > 2 and $angle > 150 |
|
582
|
0 |
0 |
0 |
120 > $a_obs and $a_obs >= 115 |
|
|
0 |
0 |
0 |
150 > $a_obs and $a_obs >= 120 |
|
|
0 |
0 |
0 |
109.5 > $a_obs and $a_obs >= 99 |
|
|
0 |
0 |
0 |
115 > $a_obs and $a_obs >= 109.5 |
|
639
|
0 |
0 |
0 |
$n_multiple_bonds > 1 and $max_conns > 2 |
|
|
0 |
0 |
0 |
$n_multiple_bonds > 1 and $max_conns > 2 and $atom->symbol eq 'C' |
|
662
|
0 |
0 |
0 |
$bond->order > 1 and !defined($min_conf) || $bond->attr('bond-find/confidence') < $min_conf |
|
677
|
0 |
0 |
0 |
$bond->order == 1 || $atom->symbol =~ /^[CN]$/ && $bond->order == 2 and !defined($min_conf) || $bond->attr('bond-find/confidence') < $min_conf |
|
687
|
0 |
0 |
0 |
$min_bond and $confidence > 95 || $min_conf < $confidence |
| line |
l |
!l&&r |
!l&&!r |
condition |
|
72
|
0 |
0 |
0 |
$Covalent_Radius{$symbol_a} || $Default_Radius |
|
|
0 |
0 |
0 |
$Covalent_Radius{$symbol_b} || $Default_Radius |
|
|
0 |
0 |
0 |
$$opts{'cuttoffs'}{"$symbol_a $symbol_b"} ||= (($Covalent_Radius{$symbol_a} || $Default_Radius) + ($Covalent_Radius{$symbol_b} || $Default_Radius)) * $$opts{'tolerance'} |
|
195
|
0 |
0 |
0 |
$$opts{'bond_class'} || $mol->bond_class |
|
209
|
0 |
0 |
0 |
$$opts{'bond_class'} || $mol->bond_class |
|
417
|
0 |
0 |
0 |
!$use_coords || $$_{'bond'}->length |
|
639
|
0 |
0 |
0 |
$n_bonds > $valence or $n_multiple_bonds > 1 and $max_conns > 2 and $atom->symbol eq 'C' |
|
662
|
0 |
0 |
0 |
!defined($min_conf) || $bond->attr('bond-find/confidence') < $min_conf |
|
677
|
0 |
0 |
0 |
$bond->order == 1 || $atom->symbol =~ /^[CN]$/ && $bond->order == 2 |
|
|
0 |
0 |
0 |
!defined($min_conf) || $bond->attr('bond-find/confidence') < $min_conf |
|
687
|
0 |
0 |
0 |
$confidence > 95 || $min_conf < $confidence |