Changes in src/atom_bondedparticle.cpp [d74077:952f38]
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src/atom_bondedparticle.cpp (modified) (3 diffs)
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src/atom_bondedparticle.cpp
rd74077 r952f38 13 13 #include "element.hpp" 14 14 #include "lists.hpp" 15 #include " log.hpp"16 #include " verbose.hpp"15 #include "Helpers/Log.hpp" 16 #include "Helpers/Verbose.hpp" 17 17 18 18 /** Constructor of class BondedParticle. … … 152 152 NoBonds = CountBonds(); 153 153 //Log() << Verbose(3) << "Walker " << *this << ": " << (int)this->type->NoValenceOrbitals << " > " << NoBonds << "?" << endl; 154 if ((int)( getType()->NoValenceOrbitals) > NoBonds) { // we have a mismatch, check all bonding partners for mismatch154 if ((int)(type->NoValenceOrbitals) > NoBonds) { // we have a mismatch, check all bonding partners for mismatch 155 155 for (BondList::const_iterator Runner = ListOfBonds.begin(); Runner != ListOfBonds.end(); (++Runner)) { 156 156 OtherWalker = (*Runner)->GetOtherAtom(this); 157 157 OtherNoBonds = OtherWalker->CountBonds(); 158 158 //Log() << Verbose(3) << "OtherWalker " << *OtherWalker << ": " << (int)OtherWalker->type->NoValenceOrbitals << " > " << OtherNoBonds << "?" << endl; 159 if ((int)(OtherWalker-> getType()->NoValenceOrbitals) > OtherNoBonds) { // check if possible candidate159 if ((int)(OtherWalker->type->NoValenceOrbitals) > OtherNoBonds) { // check if possible candidate 160 160 if ((CandidateBond == NULL) || (ListOfBonds.size() > OtherWalker->ListOfBonds.size())) { // pick the one with fewer number of bonds first 161 161 CandidateBond = (*Runner); … … 189 189 }; 190 190 191 std::ostream & BondedParticle::operator << (std::ostream &ost) const192 {193 ParticleInfo::operator<<(ost);194 ost << "," << getPosition();195 return ost;196 }197 198 std::ostream & operator << (std::ostream &ost, const BondedParticle &a)199 {200 a.ParticleInfo::operator<<(ost);201 ost << "," << a.getPosition();202 return ost;203 }204
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