ConfigEnumRandomLocal.hh

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#ifndef CASM_ConfigEnumRandomLocal
#define CASM_ConfigEnumRandomLocal
 
#include <functional>
 
#include "casm/clex/Configuration.hh"
#include "casm/container/Counter.hh"
#include "casm/enumerator/InputEnumerator.hh"
#include "casm/external/MersenneTwister/MersenneTwister.h"
#include "casm/misc/cloneable_ptr.hh"
 
class MTRand;
 
namespace CASM {
 
class ConfigEnumInput;
 
struct ConfigEnumRandomLocalParams {
  ConfigEnumRandomLocalParams(MTRand &_mtrand, DoFKey _dof_key, Index _n_config,
                              double _mag, bool _normal_distribution);
 
  MTRand &mtrand;
 
  DoFKey dof_key;
 
  Index n_config;
 
  double mag;
 
  bool normal_distribution;
};
 
class ConfigEnumRandomLocal : public InputEnumeratorBase<Configuration> {
  // -- Required members -------------------
 
 public:
  ConfigEnumRandomLocal(ConfigEnumInput const &_in_config,
                        ConfigEnumRandomLocalParams const &params);
 
  ConfigEnumRandomLocal(ConfigEnumInput const &_in_config,
                        DoFKey const &_dof_key, Index _n_config, double _mag,
                        bool _normal, MTRand &_mtrand);
 
  std::string name() const override;
 
  static const std::string enumerator_name;
 
 private:
  void increment() override;
 
  // -- Unique -------------------
 
  void randomize();
 
  // Key of DoF being perturbed
  DoFKey m_dof_key;
 
  // Number of configurations to be enumerated
  Index m_n_config;
 
  LocalContinuousConfigDoFValues *m_dof_vals;
 
  // Pseudo-random number generator
  MTRand &m_mtrand;
 
  // std deviation of normal distribution
  // max magnitude if uniform distribution
  double m_mag;
 
  // true if normally distributed
  // false if uniformly distributed
  bool m_normal;
 
  // true if dof is unit vector
  // false otherwise
  bool m_unit_length;
 
  // Sites on which enumeration is being performed
  std::vector<Index> m_site_selection;
 
  // Dimension of DoF at each selected site
  std::vector<Index> m_dof_dims;
 
  notstd::cloneable_ptr<Configuration> m_current;
};
 
}  // namespace CASM
 
#endif