Changes in src/bond.cpp [1513a74:b8d4a3]
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src/bond.cpp
r1513a74 rb8d4a3 15 15 /** Empty Constructor for class bond. 16 16 */ 17 bond::bond() : leftatom(NULL), rightatom(NULL), previous(NULL), next(NULL), HydrogenBond(0), BondDegree(0), nr(-1), Cyclic(false), Type(Undetermined), Used(white) 17 bond::bond() 18 : leftatom(NULL), rightatom(NULL), previous(NULL), next(NULL), HydrogenBond(0), 19 BondDegree(0), nr(-1), Cyclic(false), Type(Undetermined), Used(white) 18 20 { 19 21 }; … … 25 27 * \param number increasing index 26 28 */ 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) 29 bond::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) 28 32 { 29 33 if ((left != NULL) && (right != NULL)) { … … 63 67 if(rightatom == Atom) 64 68 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; 66 70 return NULL; 67 71 }; … … 99 103 bool bond::MarkUsed(const enum Shading color) { 100 104 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; 102 106 return false; 103 107 } else { … … 119 123 double bond::GetDistance() const 120 124 { 121 return (leftatom->node-> distance(*rightatom->node));125 return (leftatom->node->Distance(rightatom->node)); 122 126 }; 123 127 … … 127 131 double bond::GetDistanceSquared() const 128 132 { 129 return (leftatom->node->DistanceSquared( *rightatom->node));133 return (leftatom->node->DistanceSquared(rightatom->node)); 130 134 };
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