ClusterInvariants.hh

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#ifndef CASM_ClusterInvariants
#define CASM_ClusterInvariants
 
#include <iostream>
#include <vector>
 
#include "casm/global/eigen.hh"
#include "casm/misc/cloneable_ptr.hh"
 
namespace CASM {
 
class IntegralCluster;
 
/* -- ClusterInvariants Declarations ------------------------------------- */
 
class ClusterInvariants : public notstd::Cloneable {
  CLONEABLE(ClusterInvariants)
 public:
  explicit ClusterInvariants(IntegralCluster const &cluster);
 
  int size() const;
 
  std::vector<double> const &displacement() const;
 
 private:
  int m_size;
 
  std::vector<double> m_disp;
};
 
bool almost_equal(ClusterInvariants const &A, ClusterInvariants const &B,
                  double tol);
 
bool compare(ClusterInvariants const &A, ClusterInvariants const &B,
             double tol);
 
class WithinScelClusterInvariants : public notstd::Cloneable {
  CLONEABLE(WithinScelClusterInvariants)
 public:
  explicit WithinScelClusterInvariants(IntegralCluster const &cluster,
                                       Eigen::Matrix3l const &transf_mat);
 
  int size() const;
 
  std::vector<double> const &displacement() const;
 
 private:
  int m_size;
 
  std::vector<double> m_disp;
};
 
bool almost_equal(WithinScelClusterInvariants const &A,
                  WithinScelClusterInvariants const &B, double tol);
 
bool compare(WithinScelClusterInvariants const &A,
             WithinScelClusterInvariants const &B, double tol);
 
}  // namespace CASM
 
#endif