/* * EnergyMatrix.hpp * * Created on: Sep 15, 2011 * Author: heber */ #ifndef ENERGYMATRIX_HPP_ #define ENERGYMATRIX_HPP_ // include config.h #ifdef HAVE_CONFIG_H #include #endif #include "MatrixContainer.hpp" class KeySetsContainer; /** Represents a parsed energy matrix. * */ class EnergyMatrix : public MatrixContainer { public: bool ParseIndices(); bool SumSubEnergy(class EnergyMatrix &Fragments, class EnergyMatrix *CorrectionFragments, class KeySetsContainer &KeySets, int Order, double sign); bool ParseFragmentMatrix(const char *name, const char *prefix, std::string suffix, int skiplines, int skipcolumns); }; #endif /* ENERGYMATRIX_HPP_ */