ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/freemol/trunk/src/mengine/src/kbond.c
(Generate patch)
# Line 141 | Line 141
141              strcpy(pt,pb);
142              strcat(pt,pa);
143           }
144
144           numeral(igeni, pa, 3);
145           numeral(igenk, pb, 3);
146           if( igeni <= igenk )
# Line 504 | Line 503
503      aromatic_mask = (1L << AROMATIC_MASK);
504  
505      if ( (atom[ia].flags & aromatic_mask) && (atom[ib].flags & aromatic_mask)
506 <         && (is_ring62(ia,ib) != FALSE) )
506 >         && (is_ring62(ia,ib) == TRUE) )
507 >      {
508           return(FALSE);
509 +      }
510  
511      if ( (atom[ia].flags & aromatic_mask) && (atom[ib].flags & aromatic_mask)
512 <         && (is_ring52(ia,ib) != FALSE) )
512 >         && (is_ring52(ia,ib) == TRUE) )
513 >      {
514           return(FALSE);
515 <
514 <    if ( (atom[ia].flags & aromatic_mask) && (atom[ib].flags & aromatic_mask) )
515 <         return(TRUE);
515 >      }
516     if (atom[ia].type == 37 && atom[ib].type == 37 && (is_ring62(ia,ib) != FALSE))
517        return FALSE;
518     if (atom[ia].type == 37 && atom[ib].type == 37 && (is_ring52(ia,ib) != FALSE))

Diff Legend

Removed lines
+ Added lines
< Changed lines
> Changed lines