Changes in src/atom_bondedparticle.cpp [b8d4a3:a67d19]
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TabularUnified src/atom_bondedparticle.cpp ¶
rb8d4a3 ra67d19 44 44 void BondedParticle::OutputBondOfAtom() const 45 45 { 46 Log() << Verbose(4) << "Atom " << Name << "/" << nr << " with " << ListOfBonds.size() << " bonds: " << endl;46 DoLog(4) && (Log() << Verbose(4) << "Atom " << Name << "/" << nr << " with " << ListOfBonds.size() << " bonds: " << endl); 47 47 int TotalDegree = 0; 48 48 for (BondList::const_iterator Runner = ListOfBonds.begin(); Runner != ListOfBonds.end(); ++Runner) { 49 Log() << Verbose(4) << **Runner << endl;49 DoLog(4) && (Log() << Verbose(4) << **Runner << endl); 50 50 TotalDegree += (*Runner)->BondDegree; 51 51 } 52 Log() << Verbose(4) << " -- TotalDegree: " << TotalDegree << endl;52 DoLog(4) && (Log() << Verbose(4) << " -- TotalDegree: " << TotalDegree << endl); 53 53 }; 54 54 … … 75 75 }; 76 76 77 /**78 * Adds a bond between this bonded particle and another. Does nothing if this79 * bond already exists.80 *81 * \param bonding partner82 */83 void BondedParticle::addBond(BondedParticle* Partner) {84 if (IsBondedTo(Partner)) {85 return;86 }87 88 bond* newBond = new bond((atom*) this, (atom*) Partner, 1, 0);89 RegisterBond(newBond);90 Partner->RegisterBond(newBond);91 }92 93 77 /** Puts a given bond into atom::ListOfBonds. 94 78 * \param *Binder bond to insert … … 102 86 status = true; 103 87 } else { 104 eLog() << Verbose(1) << *Binder << " does not contain " << *this << "." << endl;88 DoeLog(1) && (eLog()<< Verbose(1) << *Binder << " does not contain " << *this << "." << endl); 105 89 } 106 90 } else { 107 eLog() << Verbose(1) << "Binder is " << Binder << "." << endl;91 DoeLog(1) && (eLog()<< Verbose(1) << "Binder is " << Binder << "." << endl); 108 92 } 109 93 return status; … … 121 105 status = true; 122 106 } else { 123 eLog() << Verbose(1) << *Binder << " does not contain " << *this << "." << endl;107 DoeLog(1) && (eLog()<< Verbose(1) << *Binder << " does not contain " << *this << "." << endl); 124 108 } 125 109 } else { 126 eLog() << Verbose(1) << "Binder is " << Binder << "." << endl;110 DoeLog(1) && (eLog()<< Verbose(1) << "Binder is " << Binder << "." << endl); 127 111 } 128 112 return status; … … 166 150 //Log() << Verbose(2) << "Increased bond degree for bond " << *CandidateBond << "." << endl; 167 151 } else { 168 eLog() << Verbose(2) << "Could not find correct degree for atom " << *this << "." << endl;152 DoeLog(2) && (eLog()<< Verbose(2) << "Could not find correct degree for atom " << *this << "." << endl); 169 153 FalseBondDegree++; 170 154 }
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