cctbx/eltbx/covalent_radii.h

#ifndef CCTBX_ELTBX_COVALENT_RADII_H
#define CCTBX_ELTBX_COVALENT_RADII_H

#include <string>

namespace cctbx { namespace eltbx { namespace covalent_radii {

  namespace detail {

    struct raw_record
    {
      const char* label;
      float       radius;
      float       esd;
    };

  }


  class table
  {
    public:
      table() : record_(0)  {}


      explicit
      table(std::string const& label, bool exact=false);


      bool
      is_valid() const { return record_->label != 0; }

      const char*
      label() const { return record_->label; }

      float
      radius() const { return record_->radius; }

      float
      esd() const { return record_->esd; }

    private:
      const detail::raw_record* record_;
      friend class table_iterator;
  };

  class table_iterator
  {
    public:
      table_iterator();


      table
      next();

    private:
      table current_;
  };

}}} // cctbx::eltbx::covalent_radii

#endif // CCTBX_ELTBX_COVALENT_RADII_H

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