/opt/mambaforge/envs/bioconda/conda-bld/coot-headless_1766554005715/work/api/residue-validation-information.hh

#ifndef RESIDUE_VALIDATION_INFORMATION_HH
#define RESIDUE_VALIDATION_INFORMATION_HH
 
#include <string>
#include "geometry/residue-and-atom-specs.hh"
 
namespace coot {
   class residue_validation_information_t {
   public:
      residue_validation_information_t() : function_value(-1) {}
      residue_validation_information_t(const coot::residue_spec_t &rs,
                                       const coot::atom_spec_t &atom_spec_in,
                                       double d, const std::string &l) :
         residue_spec(rs), atom_spec(atom_spec_in), function_value(d), label(l) {}
      residue_spec_t residue_spec;
      atom_spec_t atom_spec;
      double function_value;
      std::string label;
   };
}
 
#endif // RESIDUE_VALIDATION_INFORMATION_HH