Changes in src/Legacy/oldmenu.cpp [bfd839:42a101]
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src/Legacy/oldmenu.cpp (modified) (6 diffs)
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src/Legacy/oldmenu.cpp
rbfd839 r42a101 8 8 9 9 #include "Legacy/oldmenu.hpp" 10 #include "analysis_bonds.hpp"11 10 #include "analysis_correlation.hpp" 12 11 #include "World.hpp" … … 27 26 #include "vector_ops.hpp" 28 27 #include "Plane.hpp" 28 #include "Line.hpp" 29 29 30 30 #include "UIElements/UIFactory.hpp" … … 185 185 // rotate vector around first angle 186 186 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); 188 188 Log() << Verbose(0) << "Rotated vector: " << first->x << endl, 189 189 // remove the projection onto the rotation plane of the second angle … … 201 201 // rotate another vector around second angle 202 202 n = y; 203 n = RotateVector(n,x,c - M_PI);203 n = Line(zeroVec,x).rotateVector(n,c - M_PI); 204 204 Log() << Verbose(0) << "2nd Rotated vector: " << n << endl; 205 205 … … 502 502 Log() << Verbose(0) << " f - calculate temperature from current velocity" << endl; 503 503 Log() << Verbose(0) << " g - output all temperatures per step from velocities" << endl; 504 Log() << Verbose(0) << " h - count the number of hydrogen bonds" << endl;505 504 Log() << Verbose(0) << "all else - go back" << endl; 506 505 Log() << Verbose(0) << "===============================================" << endl; … … 593 592 output->close(); 594 593 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;608 594 } 609 595 break;
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