| 1 | /** \file datacreator.cpp
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| 2 | *
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| 3 | * Definitions of assisting functions in creating data and plot files.
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| 4 | *
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| 5 | */
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| 6 |
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| 7 | #ifndef DATACREATOR_HPP_
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| 8 | #define DATACREATOR_HPP_
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| 9 |
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| 10 | using namespace std;
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| 11 |
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| 12 | //============================ INCLUDES ===========================
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| 13 |
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| 14 | #include "helpers.hpp"
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| 15 | #include "parser.hpp"
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| 16 |
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| 17 | //=========================== FUNCTIONS============================
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| 18 |
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| 19 | bool OpenOutputFile(ofstream &output, const char *dir, const char *filename);
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| 20 |
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| 21 | bool CreateDataEnergyOrder(class MatrixContainer &Energy, class MatrixContainer &EnergyFragments, class KeySetsContainer &KeySet, char *dir, char *prefix, char *msg, char *datum);
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| 22 | bool CreateDataForcesOrder(class MatrixContainer &Force, class MatrixContainer &ForceFragments, class KeySetsContainer &KeySet, char *dir, char *prefix, char *msg, char *datum, void (*CreateForce)(class MatrixContainer &, int));
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| 23 | bool CreateDataFragment(class MatrixContainer &ForceFragments, class KeySetsContainer &KeySet, char *dir, char *prefix, char *msg, char *datum, void (*CreateForce)(class MatrixContainer &, int));
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| 24 | bool CreateDataFragmentOrder(class MatrixContainer &Fragment, class KeySetsContainer &KeySet, char *dir, char *prefix, char *msg, char *datum, void (*CreateFragmentOrder)(class MatrixContainer &, class KeySetsContainer &, int));
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| 25 |
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| 26 | void CreateEnergy(class MatrixContainer &Energy, int MatrixNumber);
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| 27 | void CreateMaxFragmentOrder(class MatrixContainer &Matrix, class KeySetsContainer &KeySet, int BondOrder);
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| 28 | void CreateMinFragmentOrder(class MatrixContainer &Matrix, class KeySetsContainer &KeySet, int BondOrder);
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| 29 | void CreateMinimumForce(class MatrixContainer &Force, int MatrixNumber);
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| 30 | void CreateMeanForce(class MatrixContainer &Force, int MatrixNumber);
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| 31 | void CreateMaximumForce(class MatrixContainer &Force, int MatrixNumber);
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| 32 | void CreateVectorSumForce(class MatrixContainer &Force, int MatrixNumber);
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| 33 |
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| 34 | 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);
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| 35 | 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 *));
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| 36 |
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| 37 | void AbsEnergyPlotLine(ofstream &output, class MatrixContainer &Energy, const char *prefix, const char *xargument, const char *uses);
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| 38 | void EnergyPlotLine(ofstream &output, class MatrixContainer &Energy, const char *prefix, const char *xargument, const char *uses);
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| 39 | void ForceMagnitudePlotLine(ofstream &output, class MatrixContainer &Force, const char *prefix, const char *xargument, const char *uses);
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| 40 | void AbsFirstForceValuePlotLine(ofstream &output, class MatrixContainer &Force, const char *prefix, const char *xargument, const char *uses);
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| 41 | void BoxesForcePlotLine(ofstream &output, class MatrixContainer &Force, const char *prefix, const char *xargument, const char *uses);
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| 42 | void BoxesFirstForceValuePlotLine(ofstream &output, class MatrixContainer &Force, const char *prefix, const char *xargument, const char *uses);
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| 43 |
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| 44 | #endif /*DATACREATOR_HPP_*/
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