/** \file datacreator.cpp * * Definitions of assisting functions in creating data and plot files. * */ #ifndef DATACREATOR_HPP_ #define DATACREATOR_HPP_ using namespace std; //============================ INCLUDES =========================== #include "helpers.hpp" #include "parser.hpp" //=========================== FUNCTIONS============================ bool OpenOutputFile(ofstream &output, const char *dir, const char *filename); bool CreateDataEnergyOrder(class MatrixContainer &Energy, class MatrixContainer &EnergyFragments, class KeySetsContainer &KeySet, char *dir, char *prefix, char *msg, char *datum); bool CreateDataForcesOrder(class MatrixContainer &Force, class MatrixContainer &ForceFragments, class KeySetsContainer &KeySet, char *dir, char *prefix, char *msg, char *datum, void (*CreateForce)(class MatrixContainer &, int)); bool CreateDataFragment(class MatrixContainer &ForceFragments, class KeySetsContainer &KeySet, char *dir, char *prefix, char *msg, char *datum, void (*CreateForce)(class MatrixContainer &, int)); bool CreateDataFragmentOrder(class MatrixContainer &Fragment, class KeySetsContainer &KeySet, char *dir, char *prefix, char *msg, char *datum, void (*CreateFragmentOrder)(class MatrixContainer &, class KeySetsContainer &, int)); void CreateEnergy(class MatrixContainer &Energy, int MatrixNumber); void CreateMaxFragmentOrder(class MatrixContainer &Matrix, class KeySetsContainer &KeySet, int BondOrder); void CreateMinFragmentOrder(class MatrixContainer &Matrix, class KeySetsContainer &KeySet, int BondOrder); void CreateMinimumForce(class MatrixContainer &Force, int MatrixNumber); void CreateMeanForce(class MatrixContainer &Force, int MatrixNumber); void CreateMaximumForce(class MatrixContainer &Force, int MatrixNumber); void CreateVectorSumForce(class MatrixContainer &Force, int MatrixNumber); void CreatePlotHeader(ofstream &output, const char *prefix, const int keycolumns, const char *key, const char *logscale, const char *extraline, const int mxtics, const int xtics, const char *xlabel, const char *ylabel); bool CreatePlotOrder(class MatrixContainer &Matrix, const class KeySetsContainer &KeySet, const char *dir, const char *prefix, const int keycolumns, const char *key, const char *logscale, const char *extraline, const int mxtics, const int xtics, const char *xlabel, const char *ylabel, const char *xrange, const char *yrange, const char *xargument, const char *uses, void (*CreatePlotLines)(ofstream &, class MatrixContainer &, const char *, const char *, const char *)); void AbsEnergyPlotLine(ofstream &output, class MatrixContainer &Energy, const char *prefix, const char *xargument, const char *uses); void EnergyPlotLine(ofstream &output, class MatrixContainer &Energy, const char *prefix, const char *xargument, const char *uses); void ForceMagnitudePlotLine(ofstream &output, class MatrixContainer &Force, const char *prefix, const char *xargument, const char *uses); void AbsFirstForceValuePlotLine(ofstream &output, class MatrixContainer &Force, const char *prefix, const char *xargument, const char *uses); void BoxesForcePlotLine(ofstream &output, class MatrixContainer &Force, const char *prefix, const char *xargument, const char *uses); void BoxesFirstForceValuePlotLine(ofstream &output, class MatrixContainer &Force, const char *prefix, const char *xargument, const char *uses); #endif /*DATACREATOR_HPP_*/