.. _program_listing_file_include_dx2_crystal.hpp:

Program Listing for File crystal.hpp
====================================

|exhale_lsh| :ref:`Return to documentation for file <file_include_dx2_crystal.hpp>` (``include/dx2/crystal.hpp``)

.. |exhale_lsh| unicode:: U+021B0 .. UPWARDS ARROW WITH TIP LEFTWARDS

.. code-block:: cpp

   #pragma once
   #include "dx2/utils.hpp"
   #include <Eigen/Dense>
   #include <gemmi/cellred.hpp>
   #include <gemmi/math.hpp>
   #include <gemmi/symmetry.hpp>
   #include <gemmi/unitcell.hpp>
   #include <math.h>
   #include <nlohmann/json.hpp>
   
   using json = nlohmann::json;
   using Eigen::Matrix3d;
   using Eigen::Vector3d;
   
   Matrix3d Matrix3d_from_gemmi_cb(gemmi::Op cb);
   
   class Crystal {
   public:
     Crystal() = default;
     Crystal(Vector3d a, Vector3d b, Vector3d c, gemmi::SpaceGroup space_group);
     Crystal(json crystal_data);
     Crystal(Matrix3d A, gemmi::SpaceGroup space_group);
     const gemmi::UnitCell &get_unit_cell() const;
     const gemmi::SpaceGroup &get_space_group() const;
     Matrix3d get_A_matrix() const;
     Matrix3d get_U_matrix() const;
     Matrix3d get_B_matrix() const;
     void niggli_reduce();
     void set_A_matrix(Matrix3d A);
     json to_json() const;
   
   protected:
     void init_from_abc(Vector3d a, Vector3d b, Vector3d c);
     gemmi::SpaceGroup space_group_;
     gemmi::UnitCell unit_cell_;
     Matrix3d B_;
     Matrix3d A_;
     Matrix3d U_;
   };