Changes in src/Parser/MpqcParser.hpp [56f73b:963321a]

File:

• src/Parser/MpqcParser.hpp (modified) (3 diffs)

src/Parser/MpqcParser.hpp

@@ -16 +16 @@
 
 #include "FormatParser.hpp"
+#include "MpqcParser_Parameters.hpp"
 
 #include <iosfwd>
@@ -24 +25 @@
 class MpqcParser : public FormatParser
 {
+  friend class ParserMpqcUnitTest;
 public:
+
   MpqcParser();
   ~MpqcParser();
@@ -30 +33 @@
   void save(std::ostream* file, const std::vector<atom *> &atoms);
 
-  void setHessian(bool hessian);
+  /** Getter for parameter set.
+   *
+   * @return reference to parameter class
+   */
+  MpqcParser_Parameters & getParams();
 
 private:
-  // whether output with computing hessian is desired.
-  bool HessianPresent;
-
-  void saveSimple(std::ostream *file, const std::vector<atom *> &atoms);
-  void saveHessian(std::ostream *file, const std::vector<atom *> &atoms);
+  MpqcParser_Parameters params;
 };
 
+
 #endif /* MPQCPARSER_HPP_ */