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  • src/bond.cpp

    r1513a74 rb8d4a3  
    1515/** Empty Constructor for class bond.
    1616 */
    17 bond::bond() : leftatom(NULL), rightatom(NULL), previous(NULL), next(NULL), HydrogenBond(0), BondDegree(0), nr(-1), Cyclic(false), Type(Undetermined), Used(white)
     17bond::bond()
     18  : leftatom(NULL), rightatom(NULL), previous(NULL), next(NULL), HydrogenBond(0),
     19    BondDegree(0), nr(-1), Cyclic(false), Type(Undetermined), Used(white)
    1820{
    1921};
     
    2527 * \param number increasing index
    2628 */
    27 bond::bond(atom *left, atom *right, const int degree, const int number) : leftatom(left), rightatom(right), previous(NULL), next(NULL), HydrogenBond(0), BondDegree(degree), nr(number), Cyclic(false), Type(Undetermined), Used(white)
     29bond::bond(atom *left, atom *right, const int degree, const int number)
     30  : leftatom(left), rightatom(right), previous(NULL), next(NULL), HydrogenBond(0),
     31    BondDegree(degree), nr(number), Cyclic(false), Type(Undetermined), Used(white)
    2832{
    2933  if ((left != NULL) && (right != NULL)) {
     
    6367  if(rightatom == Atom)
    6468    return leftatom;
    65   DoeLog(1) && (eLog()<< Verbose(1) << "Bond " << *this << " does not contain atom " << *Atom << "!" << endl);
     69  eLog() << Verbose(1) << "Bond " << *this << " does not contain atom " << *Atom << "!" << endl;
    6670  return NULL;
    6771};
     
    99103bool bond::MarkUsed(const enum Shading color) {
    100104  if (Used == black) {
    101     DoeLog(1) && (eLog()<< Verbose(1) << "Bond " << this << " was already marked black!." << endl);
     105    eLog() << Verbose(1) << "Bond " << this << " was already marked black!." << endl;
    102106    return false;
    103107  } else {
     
    119123double bond::GetDistance() const
    120124{
    121   return (leftatom->node->distance(*rightatom->node));
     125  return (leftatom->node->Distance(rightatom->node));
    122126};
    123127
     
    127131double bond::GetDistanceSquared() const
    128132{
    129   return (leftatom->node->DistanceSquared(*rightatom->node));
     133  return (leftatom->node->DistanceSquared(rightatom->node));
    130134};
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