testSNF.cpp

This example demonstrates the SNF bicrystallography of two 2D lattices

1. Instantiate the two lattices

     const auto A(
         TextFileParser("bicrystal_2d.txt").readMatrix<double, 2, 2>("A", true));
     const auto B(
         TextFileParser("bicrystal_2d.txt").readMatrix<double, 2, 2>("B", true));
     const auto F(
         TextFileParser("bicrystal_2d.txt").readMatrix<double, 2, 2>("F", true));
    
     Lattice<2> L1(A);
     Lattice<2> L2(B, F);

2. SNF bicrystallography of the two lattices

     try {
       BiCrystal<2> bc(L1, L2);
       std::cout << "sigma_A=" << bc.sigmaA << std::endl;
       std::cout << "sigma_B=" << bc.sigmaB << std::endl;
       std::cout << "Lambda_A=" << std::endl;
       std::cout << bc.LambdaA << std::endl;
       std::cout << "Lambda_B=" << std::endl;
       std::cout << bc.LambdaB << std::endl;
       if (std::fabs(bc.sigmaA) != 34 || std::fabs(bc.sigmaB) != 40) {
         throw std::runtime_error("SNF error in sigma calculation \n");
       }
     }

Full code:

#include "../../include/IO/TextFileParser.h"
#include "../../include/Lattices/LatticeModule.h"
 
using namespace oILAB;
int main() {
  const auto A(
      TextFileParser("bicrystal_2d.txt").readMatrix<double, 2, 2>("A", true));
  const auto B(
      TextFileParser("bicrystal_2d.txt").readMatrix<double, 2, 2>("B", true));
  const auto F(
      TextFileParser("bicrystal_2d.txt").readMatrix<double, 2, 2>("F", true));
 
  Lattice<2> L1(A);
  Lattice<2> L2(B, F);
  try {
    BiCrystal<2> bc(L1, L2);
    std::cout << "sigma_A=" << bc.sigmaA << std::endl;
    std::cout << "sigma_B=" << bc.sigmaB << std::endl;
    std::cout << "Lambda_A=" << std::endl;
    std::cout << bc.LambdaA << std::endl;
    std::cout << "Lambda_B=" << std::endl;
    std::cout << bc.LambdaB << std::endl;
    if (std::fabs(bc.sigmaA) != 34 || std::fabs(bc.sigmaB) != 40) {
      throw std::runtime_error("SNF error in sigma calculation \n");
    }
  }
  catch (std::runtime_error &e) {
    std::cout << e.what() << std::endl;
    return -1;
  }
  return 0;
}