ConfigDoFTools.cc

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#include "casm/clex/ConfigDoFTools.hh"
 
#include "casm/clex/ConfigDoF_impl.hh"
#include "casm/clex/Supercell.hh"
#include "casm/crystallography/Structure.hh"
 
namespace CASM {
 
ConfigDoF make_configdof(Structure const &prim, Index volume) {
  return ConfigDoF(prim.basis().size(), volume, global_dof_info(prim),
                   local_dof_info(prim), prim.occupant_symrep_IDs(),
                   prim.lattice().tol());
}
 
ConfigDoF make_configdof(Structure const &prim, Index volume, double tol) {
  return ConfigDoF(prim.basis().size(), volume, global_dof_info(prim),
                   local_dof_info(prim), prim.occupant_symrep_IDs(), tol);
}
 
std::unique_ptr<ConfigDoF> make_unique_configdof(Structure const &prim,
                                                 Index volume) {
  return notstd::make_unique<ConfigDoF>(
      prim.basis().size(), volume, global_dof_info(prim), local_dof_info(prim),
      prim.occupant_symrep_IDs(), prim.lattice().tol());
}
 
std::unique_ptr<ConfigDoF> make_unique_configdof(Structure const &prim,
                                                 Index volume, double tol) {
  return notstd::make_unique<ConfigDoF>(
      prim.basis().size(), volume, global_dof_info(prim), local_dof_info(prim),
      prim.occupant_symrep_IDs(), tol);
}
 
ConfigDoF make_configdof(Supercell const &supercell) {
  return make_configdof(supercell.prim(), supercell.volume());
}
 
ConfigDoF make_configdof(Supercell const &supercell, double tol) {
  return make_configdof(supercell.prim(), supercell.volume(), tol);
}
 
std::unique_ptr<ConfigDoF> make_unique_configdof(Supercell const &supercell) {
  return make_unique_configdof(supercell.prim(), supercell.volume());
}
 
std::unique_ptr<ConfigDoF> make_unique_configdof(Supercell const &supercell,
                                                 double tol) {
  return make_unique_configdof(supercell.prim(), supercell.volume(), tol);
}
 
}  // namespace CASM