ConfigEnumStrain.hh

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#ifndef CASM_ConfigEnumStrain
#define CASM_ConfigEnumStrain
 
#include "casm/clex/Configuration.hh"
#include "casm/container/Counter.hh"
#include "casm/enumerator/InputEnumerator.hh"
#include "casm/strain/StrainConverter.hh"
#include "casm/symmetry/PermuteIterator.hh"
 
namespace CASM {
 
namespace SymRepTools_v2 {
class SubWedge;
}
 
class ConfigEnumInput;
 
struct ConfigEnumStrainParams {
  DoFKey dof;
 
  std::vector<SymRepTools_v2::SubWedge> wedges;
 
  // The options "min_val", "inc_val", "max_val" defines a grid of points to
  // sample along each wedge axis. Must have same dimension as the number of
  // subwedge axes columns.
 
  Eigen::VectorXd min_val;
  Eigen::VectorXd max_val;
  Eigen::VectorXd inc_val;
 
  // If true, set min_val[i]=-max_val[i], for strain components, i, with
  // multiplicity==1 Typically, set to true if using symmetry adapted axes
  bool auto_range = true;
 
  bool trim_corners = true;
};
 
class ConfigEnumStrain : public InputEnumeratorBase<Configuration> {
  // -- Required members -------------------
 
 public:
  ConfigEnumStrain(ConfigEnumInput const &initial_state,
                   ConfigEnumStrainParams const &params);
 
  ConfigEnumStrain(ConfigEnumInput const &initial_state,
                   std::vector<SymRepTools_v2::SubWedge> const &wedges,
                   Eigen::VectorXd min_val, Eigen::VectorXd max_val,
                   Eigen::VectorXd inc_val, DoFKey const &strain_key,
                   bool auto_range, bool trim_corners);
 
  std::string name() const override;
 
  static const std::string enumerator_name;
 
  Index subwedge_index() const;
 
  Eigen::VectorXd normal_coordinate() const;
 
 private:
  void increment() override;
 
  // -- Unique -------------------
  DoFKey m_strain_key;
 
  bool m_trim_corners;
 
  Configuration m_current;
 
  // counts over strain grid
  EigenCounter<Eigen::VectorXd> m_counter;
 
  // counts over transformation matrices
  Index m_equiv_ind;
 
  std::vector<SymRepTools_v2::SubWedge> m_wedges;
 
  // set of non-equivalent transformation matrices matrices that, along with
  // m_counter define irreducible space std::vector<Eigen::MatrixXd>
  // m_trans_mats;
  PermuteIterator m_perm_begin, m_perm_end;
  Eigen::MatrixXd m_shape_factor;
 
  const PermuteIterator &_perm_begin() { return m_perm_begin; }
  const PermuteIterator &_perm_end() { return m_perm_end; }
};
 
}  // namespace CASM
 
#endif