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  • src/Legacy/oldmenu.cpp

    rbdc91e r35b698  
    1010
    1111#include "Legacy/oldmenu.hpp"
    12 #include "analysis_bonds.hpp"
    1312#include "analysis_correlation.hpp"
    1413#include "World.hpp"
     
    510509  Log() << Verbose(0) << " f - calculate temperature from current velocity" << endl;
    511510  Log() << Verbose(0) << " g - output all temperatures per step from velocities" << endl;
    512   Log() << Verbose(0) << " h - count the number of hydrogen bonds" << endl;
    513511  Log() << Verbose(0) << "all else - go back" << endl;
    514512  Log() << Verbose(0) << "===============================================" << endl;
     
    576574        const LinkedCell *LCList = NULL;
    577575        LCList = new LinkedCell(mol, 10.);
    578         Boundaries *BoundaryPoints = NULL;
    579         FindConvexBorder(mol, BoundaryPoints TesselStruct, LCList, NULL);
     576        FindConvexBorder(mol, TesselStruct, LCList, NULL);
    580577        double clustervolume = VolumeOfConvexEnvelope(TesselStruct, configuration);
    581578        Log() << Verbose(0) << "The tesselated surface area is " << clustervolume << "." << endl;\
     
    600597        output->close();
    601598        delete(output);
    602       }
    603       break;
    604     case 'h':
    605       {
    606         int Z1;
    607         cout << "Please enter first interface element: ";
    608         cin >> Z1;
    609         const element * InterfaceElement = World::getInstance().getPeriode()->FindElement(Z1);
    610         int Z2;
    611         cout << "Please enter second interface element: ";
    612         cin >> Z2;
    613         const element * InterfaceElement2 = World::getInstance().getPeriode()->FindElement(Z2);
    614         cout << endl << "There are " << CountHydrogenBridgeBonds(World::getInstance().getMolecules(), InterfaceElement, InterfaceElement2) << " hydrogen bridges with connections to " << (InterfaceElement != 0 ? InterfaceElement->name : "None") << " and " << (InterfaceElement2 != 0 ? InterfaceElement2->name : "None") << "." << endl;
    615599      }
    616600      break;
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