cctbx/eltbx/tiny_pse.h

#ifndef CCTBX_ELTBX_TINY_PSE_H
#define CCTBX_ELTBX_TINY_PSE_H

#include <string>

namespace cctbx { namespace eltbx { namespace tiny_pse {

  namespace detail
  {
    struct raw_record {
      int z;
      const char* symbol;
      const char* name;
      float weight;
    };
  }


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


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

      explicit
      table(int atomic_number);


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

      int
      atomic_number() const { return record_->z; }

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

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

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

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

  class table_iterator
  {
    public:
      table_iterator();


      table
      next();

    private:
      table current_;
  };

}}} // cctbx::eltbx::tiny_pse

#endif // CCTBX_ELTBX_TINY_PSE_H

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