Ignore:
File:
1 edited

Legend:

Unmodified
Added
Removed
  • src/analysis_bonds.cpp

    r68f03d r4eb4fe  
    5151 * \param &Max maximum distance on return, 0 if no bond between the two elements
    5252 */
    53 void MinMeanMaxBondDistanceBetweenElements(const molecule *mol, element *type1, element *type2, double &Min, double &Mean, double &Max)
     53void MinMeanMaxBondDistanceBetweenElements(const molecule *mol, const element *type1, const element *type2, double &Min, double &Mean, double &Max)
    5454{
    5555  Min = 2e+6;
     
    124124 * \param *InterfaceElement or NULL
    125125 */
    126 int CountHydrogenBridgeBonds(MoleculeListClass *molecules, element * InterfaceElement = NULL)
     126int CountHydrogenBridgeBonds(MoleculeListClass *molecules, const element * InterfaceElement = NULL)
    127127{
    128128  atom *Walker = NULL;
     
    181181                    // check angle
    182182                    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);
    184184                      count++;
    185185                      break;
Note: See TracChangeset for help on using the changeset viewer.