Changes in src/analysis_bonds.cpp [68f03d:4eb4fe]
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src/analysis_bonds.cpp
r68f03d r4eb4fe 51 51 * \param &Max maximum distance on return, 0 if no bond between the two elements 52 52 */ 53 void MinMeanMaxBondDistanceBetweenElements(const molecule *mol, element *type1,element *type2, double &Min, double &Mean, double &Max)53 void MinMeanMaxBondDistanceBetweenElements(const molecule *mol, const element *type1, const element *type2, double &Min, double &Mean, double &Max) 54 54 { 55 55 Min = 2e+6; … … 124 124 * \param *InterfaceElement or NULL 125 125 */ 126 int CountHydrogenBridgeBonds(MoleculeListClass *molecules, element * InterfaceElement = NULL)126 int CountHydrogenBridgeBonds(MoleculeListClass *molecules, const element * InterfaceElement = NULL) 127 127 { 128 128 atom *Walker = NULL; … … 181 181 // check angle 182 182 if (CheckHydrogenBridgeBondAngle(Walker, OtherAtom, Runner)) { 183 DoLog(1) && (Log() << Verbose(1) << Walker-> getName() << ", " << OtherAtom->getName() << " and " << Runner->getName()<< " has a hydrogen bridge bond with distance " << sqrt(distance) << " and angle " << CalculateAngle(&OtherAtom->x, &Walker->x, &Runner->x)*(180./M_PI) << "." << endl);183 DoLog(1) && (Log() << Verbose(1) << Walker->Name << ", " << OtherAtom->Name << " and " << Runner->Name << " has a hydrogen bridge bond with distance " << sqrt(distance) << " and angle " << CalculateAngle(&OtherAtom->x, &Walker->x, &Runner->x)*(180./M_PI) << "." << endl); 184 184 count++; 185 185 break;
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