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  • src/Legacy/oldmenu.cpp

    rbfd839 r42a101  
    88
    99#include "Legacy/oldmenu.hpp"
    10 #include "analysis_bonds.hpp"
    1110#include "analysis_correlation.hpp"
    1211#include "World.hpp"
     
    2726#include "vector_ops.hpp"
    2827#include "Plane.hpp"
     28#include "Line.hpp"
    2929
    3030#include "UIElements/UIFactory.hpp"
     
    185185          // rotate vector around first angle
    186186          first->x = x;
    187           first->x = RotateVector(first->x,z,b - M_PI);
     187          first->x = Line(zeroVec,z).rotateVector(first->x,b - M_PI);
    188188          Log() << Verbose(0) << "Rotated vector: " << first->x << endl,
    189189          // remove the projection onto the rotation plane of the second angle
     
    201201          // rotate another vector around second angle
    202202          n = y;
    203           n = RotateVector(n,x,c - M_PI);
     203          n = Line(zeroVec,x).rotateVector(n,c - M_PI);
    204204          Log() << Verbose(0) << "2nd Rotated vector: " << n << endl;
    205205
     
    502502  Log() << Verbose(0) << " f - calculate temperature from current velocity" << endl;
    503503  Log() << Verbose(0) << " g - output all temperatures per step from velocities" << endl;
    504   Log() << Verbose(0) << " h - count the number of hydrogen bonds" << endl;
    505504  Log() << Verbose(0) << "all else - go back" << endl;
    506505  Log() << Verbose(0) << "===============================================" << endl;
     
    593592        output->close();
    594593        delete(output);
    595       }
    596       break;
    597     case 'h':
    598       {
    599         int Z1;
    600         cout << "Please enter first interface element: ";
    601         cin >> Z1;
    602         const element * InterfaceElement = World::getInstance().getPeriode()->FindElement(Z1);
    603         int Z2;
    604         cout << "Please enter second interface element: ";
    605         cin >> Z2;
    606         const element * InterfaceElement2 = World::getInstance().getPeriode()->FindElement(Z2);
    607         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;
    608594      }
    609595      break;
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