OccupantFunction.hh

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#ifndef OCCUPANTFUNCTION_HH
#define OCCUPANTFUNCTION_HH
 
#include <iostream>
#include <map>
#include <sstream>
 
#include "casm/basis_set/BasisFunction.hh"
#include "casm/basis_set/DoF.hh"
#include "casm/misc/cloneable_ptr.hh"
 
namespace CASM {
 
class Function;
class FunctionOperation;
class InnerProduct;
class OccupantFunction;
 
//~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
//
//
//
//
//~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
 
class OccupantFunction : public Function,
                         public DerivedID<OccupantFunction, Function> {
 public:
  OccupantFunction(const DiscreteDoF &init_var,
                   const Eigen::VectorXd &init_eval, int _occ_func_ind,
                   int _basis_ind, SymGroupRepID _sym_rep_ID)
      : m_var(init_var.clone()),
        m_eval_table(init_eval),
        m_sym_rep_ID(_sym_rep_ID),
        m_occ_func_ind(_occ_func_ind),
        m_basis_ind(_basis_ind) {}
 
  static int sclass_ID();
  int class_ID() const override;
 
  std::string type_name() const override { return "OccupantFunction"; }
 
  Index occ_func_ind() const { return m_occ_func_ind; }
 
  Index basis_ind() const { return m_basis_ind; }
 
  void set_basis_ind(int new_ind) { m_basis_ind = new_ind; }
 
  const DiscreteDoF &dof() const { return *m_var; }
 
  Function *copy() const override;
 
  bool is_zero() const override;
  Index num_terms() const override;
 
  const Eigen::VectorXd &eval_table() const { return m_eval_table; }
 
  double leading_coefficient() const override;
  double leading_coefficient(Index &index) const override;
  double get_coefficient(Index i) const override;
 
  void small_to_zero(double tol = TOL) override;
  void scale(double scale_factor) override;
  void make_formula() const override;
 
  int register_remotes(
      const std::vector<DoF::RemoteHandle> &remote_handles) override;
 
  std::set<Index> dof_IDs() const override {
    return std::set<Index>({dof().ID()});
  }
  bool compare(const OccupantFunction *RHS) const;
 
  static void fill_dispatch_table();
  Eigen::VectorXd const *get_eigen_coeffs() const override;
 
  double discrete_eval(int state) const;
 
  double remote_eval() const override;
 
  double remote_deval(const DoF::RemoteHandle &dvar) const override;
 
  double cache_eval() const override { return remote_eval(); }
 
  double cache_deval(const DoF::RemoteHandle &dvar) const override {
    return remote_deval(dvar);
  }
 
  jsonParser &to_json(jsonParser &json) const override;
  void from_json(const jsonParser &json);
 
 protected:
  Function *_apply_sym(const SymOp &op) override;
 
  bool _accept(const FunctionVisitor &visitor,
               BasisSet const *home_basis_ptr = NULL) override;
 
  bool _accept(const FunctionVisitor &visitor,
               BasisSet const *home_basis_ptr = NULL) const override;
 
  bool _update_dof_IDs(const std::vector<Index> &before_IDs,
                       const std::vector<Index> &after_IDs) override;
 
 private:
  //**Inherited from Function:**
  //  Index func_ID;
  //  Array<Function*> m_argument;
  //  mutable std::string m_formula, m_tex_formula;
  //  ~~~~~~~~~~~~~~~~~~~~~~~~~~~
 
  // Array<std::string> m_formula_bits;     //mutable?
 
  notstd::cloneable_ptr<DiscreteDoF> m_var;
  Eigen::VectorXd m_eval_table;
  SymGroupRepID m_sym_rep_ID;
  Index m_occ_func_ind, m_basis_ind;
 
  OccupantFunction() : m_var(nullptr) {}  // no default construction
};
 
//~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
 
class OccOccOperation : public FunctionOperation {
 public:
  bool compare(Function const *LHS, Function const *RHS) const;
 
  // Function *multiply(Function const *LHS, Function const *RHS) const;
  // Function *multiply_by(Function *LHS, Function const *RHS) const;
 
  // Function *add(Function const *LHS, Function const *RHS) const;
  // Function *add_to(Function *LHS, Function const *RHS) const;
 
  // Function *subtract(Function const *LHS, Function const *RHS) const;
  // Function *subtract_from(Function *LHS, Function const *RHS) const;
};
 
//~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
 
jsonParser &to_json(const OccupantFunction &func, jsonParser &json);
void from_json(OccupantFunction &func, const jsonParser &json);
 
}  // namespace CASM
#endif