| 1 | /** \file datacreator.cpp
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| 2 | *
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| 3 | * Declarations 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 | //============================ INCLUDES ===========================
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| 8 |
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| 9 | #include "datacreator.hpp"
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| 10 |
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| 11 | //=========================== FUNCTIONS============================
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| 12 |
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| 13 | /** Opens a file with \a *filename in \a *dir.
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| 14 | * \param output file handle on return
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| 15 | * \param *dir directory
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| 16 | * \param *filename name of file
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| 17 | * \return true if file has been opened
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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 | stringstream name;
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| 22 | name << dir << "/" << filename;
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| 23 | output.open(name.str().c_str(), ios::out);
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| 24 | if (output == NULL) {
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| 25 | cout << "Unable to open " << name.str() << " for writing, is directory correct?" << endl;
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| 26 | return false;
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| 27 | }
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| 28 | return true;
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| 29 | };
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| 30 |
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| 31 | /** Plots an energy vs. order.
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| 32 | * \param Energy EnergyMatrix class containing matrix values (last matrix is created by summing over Fragments)
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| 33 | * \param EnergyFragments EnergyMatrix class containing matrix values
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| 34 | * \param KeySet KeySetContainer class holding bond KeySetContainer::Order
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| 35 | * \param *prefix prefix in filename (without ending)
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| 36 | * \param *msg message to be place in first line as a comment
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| 37 | * \return true if file was written successfully
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| 38 | */
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| 39 | bool CreateDataEnergyOrder(class MatrixContainer &Energy, class MatrixContainer &EnergyFragments, class KeySetsContainer &KeySet, char *dir, char *prefix, char *msg, char *datum)
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| 40 | {
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| 41 | stringstream filename;
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| 42 | ofstream output;
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| 43 |
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| 44 | filename << prefix << ".dat";
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| 45 | if (!OpenOutputFile(output, dir, filename.str().c_str())) return false;
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| 46 | cout << msg << endl;
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| 47 | output << "# " << msg << ", created on " << datum;
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| 48 | output << "#Order\tFrag.No.\t" << Energy.Header << endl;
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| 49 | for (int BondOrder=0;BondOrder<KeySet.Order;BondOrder++) {
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| 50 | for(int i=KeySet.FragmentsPerOrder[BondOrder];i--;) {
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| 51 | for(int j=Energy.RowCounter[ KeySet.OrderSet[BondOrder][i] ];j--;)
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| 52 | for(int k=Energy.ColumnCounter;k--;)
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| 53 | Energy.Matrix[Energy.MatrixCounter][j][k] -= EnergyFragments.Matrix[ KeySet.OrderSet[BondOrder][i] ][j][k];
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| 54 | }
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| 55 | output << BondOrder+1 << "\t" << KeySet.FragmentsPerOrder[BondOrder];
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| 56 | for (int l=0;l<Energy.ColumnCounter;l++)
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| 57 | if (fabs(EnergyFragments.Matrix[EnergyFragments.MatrixCounter][ EnergyFragments.RowCounter[EnergyFragments.MatrixCounter]-1 ][l]) < MYEPSILON)
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| 58 | output << scientific << "\t" << Energy.Matrix[Energy.MatrixCounter][ Energy.RowCounter[Energy.MatrixCounter]-1 ][l];
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| 59 | else
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| 60 | output << scientific << "\t" << (Energy.Matrix[Energy.MatrixCounter][ Energy.RowCounter[Energy.MatrixCounter]-1 ][l] / EnergyFragments.Matrix[EnergyFragments.MatrixCounter][ EnergyFragments.RowCounter[EnergyFragments.MatrixCounter]-1 ][l]);
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| 61 | output << endl;
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| 62 | }
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| 63 | output.close();
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| 64 | return true;
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| 65 | };
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| 66 |
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| 67 | /** Plot forces vs. order.
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| 68 | */
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| 69 | 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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| 70 | {
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| 71 | stringstream filename;
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| 72 | ofstream output;
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| 73 |
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| 74 | filename << prefix << ".dat";
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| 75 | if (!OpenOutputFile(output, dir, filename.str().c_str())) return false;
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| 76 | cout << msg << endl;
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| 77 | output << "# " << msg << ", created on " << datum;
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| 78 | output << "# Order\tFrag.No.\t" << Force.Header << endl;
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| 79 | for(int j=0;j<=Force.RowCounter[ Force.MatrixCounter ];j++)
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| 80 | for(int k=0;k<Force.ColumnCounter;k++)
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| 81 | Force.Matrix[Force.MatrixCounter][j][k] = 0.;
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| 82 | for (int BondOrder=0;BondOrder<KeySet.Order;BondOrder++) {
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| 83 | for(int i=0;i<KeySet.FragmentsPerOrder[BondOrder];i++) {
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| 84 | for(int l=0;l<Force.RowCounter[ KeySet.OrderSet[BondOrder][i] ];l++) {
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| 85 | int j = Force.Indices[ KeySet.OrderSet[BondOrder][i] ][l];
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| 86 | if (j > Force.RowCounter[Force.MatrixCounter]) {
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| 87 | cerr << "Current force index " << j << " is greater than " << Force.RowCounter[Force.MatrixCounter] << "!" << endl;
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| 88 | return 1;
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| 89 | }
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| 90 | if (j != -1)
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| 91 | for(int k=Force.ColumnCounter;k--;) {
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| 92 | Force.Matrix[Force.MatrixCounter][j][k] += ForceFragments.Matrix[ KeySet.OrderSet[BondOrder][i] ][l][k];
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| 93 | }
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| 94 | }
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| 95 | }
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| 96 | output << BondOrder+1 << "\t" << KeySet.FragmentsPerOrder[BondOrder];
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| 97 | CreateForce(Force, Force.MatrixCounter);
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| 98 | for (int l=0;l<Force.ColumnCounter;l++)
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| 99 | output << scientific << "\t" << Force.Matrix[Force.MatrixCounter][ Force.RowCounter[Force.MatrixCounter] ][l];
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| 100 | output << endl;
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| 101 | }
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| 102 | output.close();
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| 103 | return true;
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| 104 | };
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| 105 |
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| 106 | /** Plot matrix vs. fragment.
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| 107 | */
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| 108 | bool CreateDataFragment(class MatrixContainer &Fragment, class KeySetsContainer &KeySet, char *dir, char *prefix, char *msg, char *datum, void (*CreateFragment)(class MatrixContainer &, int))
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| 109 | {
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| 110 | stringstream filename;
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| 111 | ofstream output;
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| 112 |
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| 113 | filename << prefix << ".dat";
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| 114 | if (!OpenOutputFile(output, dir, filename.str().c_str())) return false;
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| 115 | cout << msg << endl;
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| 116 | output << "# " << msg << ", created on " << datum << endl;
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| 117 | output << "#Order\tFrag.No.\t" << Fragment.Header << endl;
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| 118 | for (int BondOrder=0;BondOrder<KeySet.Order;BondOrder++) {
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| 119 | for(int i=0;i<KeySet.FragmentsPerOrder[BondOrder];i++) {
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| 120 | output << BondOrder+1 << "\t" << KeySet.OrderSet[BondOrder][i]+1;
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| 121 | CreateFragment(Fragment, KeySet.OrderSet[BondOrder][i]);
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| 122 | for (int l=0;l<Fragment.ColumnCounter;l++)
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| 123 | output << scientific << "\t" << Fragment.Matrix[ KeySet.OrderSet[BondOrder][i] ][ Fragment.RowCounter[ KeySet.OrderSet[BondOrder][i] ] ][l];
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| 124 | output << endl;
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| 125 | }
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| 126 | }
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| 127 | output.close();
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| 128 | return true;
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| 129 | };
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| 130 |
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| 131 | /** Copies fragment energy values into last matrix of \a Matrix with greatest total energy.
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| 132 | * \param &Matrix MatrixContainer with all fragment energy values
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| 133 | * \param &KeySet KeySetsContainer with associations of each fragment to a bond order
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| 134 | * \param BondOrder current bond order
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| 135 | */
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| 136 | void CreateMaxFragmentOrder(class MatrixContainer &Fragments, class KeySetsContainer &KeySet, int BondOrder)
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| 137 | {
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| 138 | for(int j=Fragments.RowCounter[ Fragments.MatrixCounter ];j--;) {
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| 139 | for(int i=KeySet.FragmentsPerOrder[BondOrder];i--;) {
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| 140 | if (fabs(Fragments.Matrix[ Fragments.MatrixCounter ][j][1]) < fabs(Fragments.Matrix[ KeySet.OrderSet[BondOrder][i] ][j][1])) {
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| 141 | for (int k=Fragments.ColumnCounter;k--;)
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| 142 | Fragments.Matrix[ Fragments.MatrixCounter ][j][k] = Fragments.Matrix[ KeySet.OrderSet[BondOrder][i] ][j][k];
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| 143 | }
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| 144 | }
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| 145 | }
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| 146 | };
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| 147 |
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| 148 | /** Copies fragment energy values into last matrix of \a Matrix with smallest total energy.
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| 149 | * \param &Matrix MatrixContainer with all fragment energy values
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| 150 | * \param &KeySet KeySetsContainer with associations of each fragment to a bond order
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| 151 | * \param BondOrder current bond order
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| 152 | */
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| 153 | void CreateMinFragmentOrder(class MatrixContainer &Fragments, class KeySetsContainer &KeySet, int BondOrder)
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| 154 | {
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| 155 | for(int j=0;j<Fragments.RowCounter[ Fragments.MatrixCounter ];j++) {
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| 156 | int i=0;
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| 157 | do { // first get a minimum value unequal to 0
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| 158 | for (int k=Fragments.ColumnCounter;k--;)
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| 159 | Fragments.Matrix[ Fragments.MatrixCounter ][j][k] = Fragments.Matrix[ KeySet.OrderSet[BondOrder][i] ][j][k];
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| 160 | i++;
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| 161 | } while ((fabs(Fragments.Matrix[ Fragments.MatrixCounter ][j][1]) < MYEPSILON) && (i<KeySet.FragmentsPerOrder[BondOrder]));
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| 162 | for(;i<KeySet.FragmentsPerOrder[BondOrder];i++) { // then find lowest
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| 163 | if (fabs(Fragments.Matrix[ Fragments.MatrixCounter ][j][1]) > fabs(Fragments.Matrix[ KeySet.OrderSet[BondOrder][i] ][j][1])) {
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| 164 | for (int k=Fragments.ColumnCounter;k--;)
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| 165 | Fragments.Matrix[ Fragments.MatrixCounter ][j][k] = Fragments.Matrix[ KeySet.OrderSet[BondOrder][i] ][j][k];
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| 166 | }
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| 167 | }
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| 168 | }
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| 169 | };
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| 170 |
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| 171 | /** Plot matrix vs. fragment.
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| 172 | */
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| 173 | 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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| 174 | {
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| 175 | stringstream filename;
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| 176 | ofstream output;
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| 177 |
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| 178 | filename << prefix << ".dat";
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| 179 | if (!OpenOutputFile(output, dir, filename.str().c_str())) return false;
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| 180 | cout << msg << endl;
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| 181 | output << "# " << msg << ", created on " << datum;
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| 182 | output << "#Order\tFrag.No.\t" << Fragment.Header << endl;
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| 183 | // max
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| 184 | for (int BondOrder=0;BondOrder<KeySet.Order;BondOrder++) {
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| 185 | Fragment.SetLastMatrix(0.,0);
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| 186 | CreateFragmentOrder(Fragment, KeySet, BondOrder);
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| 187 | output << BondOrder+1 << "\t" << KeySet.FragmentsPerOrder[BondOrder];
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| 188 | for (int l=0;l<Fragment.ColumnCounter;l++)
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| 189 | output << scientific << "\t" << Fragment.Matrix[ Fragment.MatrixCounter ][ Fragment.RowCounter[ Fragment.MatrixCounter ]-1 ][l];
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| 190 | output << endl;
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| 191 | }
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| 192 | output.close();
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| 193 | return true;
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| 194 | };
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| 195 |
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| 196 | /** Takes last but one row and copies into final row.
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| 197 | * \param Energy MatrixContainer with matrix values
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| 198 | * \param MatrixNumber the index for the ForceMatrix::matrix array
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| 199 | */
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| 200 | void CreateEnergy(class MatrixContainer &Energy, int MatrixNumber)
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| 201 | {
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| 202 | for(int k=0;k<Energy.ColumnCounter;k++)
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| 203 | Energy.Matrix[MatrixNumber][ Energy.RowCounter[MatrixNumber] ] [k] = Energy.Matrix[MatrixNumber][ Energy.RowCounter[MatrixNumber]-1 ] [k];
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| 204 | };
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| 205 |
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| 206 | /** Scans forces for the minimum in magnitude.
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| 207 | * Results are stored in the matrix ForceMatrix::MatrixCounter of \a Force.
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| 208 | * \param Force ForceMatrix class containing matrix values
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| 209 | * \param MatrixNumber the index for the ForceMatrix::matrix array
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| 210 | */
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| 211 | void CreateMinimumForce(class MatrixContainer &Force, int MatrixNumber)
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| 212 | {
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| 213 | for (int l=Force.ColumnCounter;l--;)
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| 214 | Force.Matrix[MatrixNumber][ Force.RowCounter[MatrixNumber] ][l] = 0.;
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| 215 | for (int l=5;l<Force.ColumnCounter;l+=3) {
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| 216 | double stored = 0;
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| 217 | int k=0;
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| 218 | do {
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| 219 | for (int m=NDIM;m--;) {
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| 220 | stored += Force.Matrix[MatrixNumber][ k ][l+m]
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| 221 | * Force.Matrix[MatrixNumber][ k ][l+m];
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| 222 | Force.Matrix[MatrixNumber][ Force.RowCounter[MatrixNumber] ][l+m] = Force.Matrix[MatrixNumber][ k ][l+m];
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| 223 | }
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| 224 | k++;
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| 225 | } while ((fabs(stored) < MYEPSILON) && (k<Force.RowCounter[MatrixNumber]));
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| 226 | for (;k<Force.RowCounter[MatrixNumber];k++) {
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| 227 | double tmp = 0;
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| 228 | for (int m=NDIM;m--;)
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| 229 | tmp += Force.Matrix[MatrixNumber][ k ][l+m]
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| 230 | * Force.Matrix[MatrixNumber][ k ][l+m];
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| 231 | if ((fabs(tmp) > MYEPSILON) && (tmp < stored)) { // current force is greater than stored
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| 232 | for (int m=NDIM;m--;)
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| 233 | Force.Matrix[MatrixNumber][ Force.RowCounter[MatrixNumber] ][l+m] = Force.Matrix[MatrixNumber][ k ][l+m];
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| 234 | stored = tmp;
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| 235 | }
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| 236 | }
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| 237 | }
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| 238 | };
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| 239 |
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| 240 | /** Scans forces for the mean in magnitude.
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| 241 | * Results are stored in the matrix ForceMatrix::MatrixCounter of \a Force.
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| 242 | * \param Force ForceMatrix class containing matrix values
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| 243 | * \param MatrixNumber the index for the ForceMatrix::matrix array
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| 244 | */
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| 245 | void CreateMeanForce(class MatrixContainer &Force, int MatrixNumber)
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| 246 | {
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| 247 | int divisor = 0;
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| 248 | for (int l=Force.ColumnCounter;l--;)
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| 249 | Force.Matrix[MatrixNumber][ Force.RowCounter[MatrixNumber] ][l] = 0.;
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| 250 | for (int l=5;l<Force.ColumnCounter;l+=3) {
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| 251 | double tmp = 0;
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| 252 | for (int k=Force.RowCounter[MatrixNumber];k--;) {
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| 253 | double norm = 0.;
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| 254 | for (int m=NDIM;m--;)
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| 255 | norm += Force.Matrix[MatrixNumber][ k ][l+m]
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| 256 | * Force.Matrix[MatrixNumber][ k ][l+m];
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| 257 | tmp += sqrt(norm);
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| 258 | if (fabs(norm) > MYEPSILON) divisor++;
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| 259 | }
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| 260 | tmp /= (double)divisor;
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| 261 | Force.Matrix[MatrixNumber][ Force.RowCounter[MatrixNumber] ][l] = tmp;
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| 262 | }
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| 263 | };
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| 264 |
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| 265 | /** Scans forces for the maximum in magnitude.
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| 266 | * Results are stored in the matrix ForceMatrix::MatrixCounter of \a Force.
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| 267 | * \param Force ForceMatrix class containing matrix values
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| 268 | * \param MatrixNumber the index for the ForceMatrix::matrix array
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| 269 | */
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| 270 | void CreateMaximumForce(class MatrixContainer &Force, int MatrixNumber)
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| 271 | {
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| 272 | for (int l=5;l<Force.ColumnCounter;l+=3) {
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| 273 | double stored = 0;
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| 274 | for (int k=Force.RowCounter[MatrixNumber];k--;) {
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| 275 | double tmp = 0;
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| 276 | for (int m=NDIM;m--;)
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| 277 | tmp += Force.Matrix[MatrixNumber][ k ][l+m]
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| 278 | * Force.Matrix[MatrixNumber][ k ][l+m];
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| 279 | if (tmp > stored) { // current force is greater than stored
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| 280 | for (int m=NDIM;m--;)
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| 281 | Force.Matrix[MatrixNumber][ Force.RowCounter[MatrixNumber] ][l+m] = Force.Matrix[MatrixNumber][ k ][l+m];
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| 282 | stored = tmp;
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| 283 | }
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| 284 | }
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| 285 | }
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| 286 | };
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| 287 |
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| 288 | /** Adds vectorwise all forces.
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| 289 | * Results are stored in the matrix ForceMatrix::MatrixCounter of \a Force.
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| 290 | * \param Force ForceMatrix class containing matrix values
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| 291 | * \param MatrixNumber the index for the ForceMatrix::matrix array
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| 292 | */
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| 293 | void CreateVectorSumForce(class MatrixContainer &Force, int MatrixNumber)
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| 294 | {
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| 295 | for (int l=Force.ColumnCounter;l--;)
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| 296 | Force.Matrix[MatrixNumber][ Force.RowCounter[MatrixNumber] ][l] = 0.;
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| 297 | for (int l=5;l<Force.ColumnCounter;l++) {
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| 298 | for (int k=Force.RowCounter[MatrixNumber];k--;)
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| 299 | Force.Matrix[MatrixNumber][ Force.RowCounter[MatrixNumber] ][l] += Force.Matrix[MatrixNumber][k][l];
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| 300 | }
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| 301 | };
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| 302 |
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| 303 | /** Writes the standard pyxplot header info.
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| 304 | * \param keycolumns number of columns of the key
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| 305 | * \param *key position of key
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| 306 | * \param *logscale axis for logscale
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| 307 | * \param *extraline extra set lines if desired
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| 308 | * \param mxtics small tics at ...
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| 309 | * \param xtics large tics at ...
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| 310 | * \param *xlabel label for x axis
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| 311 | * \param *ylabel label for y axis
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| 312 | */
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| 313 | 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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| 314 | {
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| 315 | //output << "#!/home/heber/build/pyxplot/pyxplot" << endl << endl;
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| 316 | output << "reset" << endl;
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| 317 | output << "set keycolumns "<< keycolumns << endl;
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| 318 | output << "set key " << key << endl;
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| 319 | output << "set mxtics "<< mxtics << endl;
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| 320 | output << "set xtics "<< xtics << endl;
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| 321 | if (logscale != "")
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| 322 | output << "set logscale " << logscale << endl;
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| 323 | if (extraline != "")
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| 324 | output << extraline << endl;
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| 325 | output << "set xlabel '" << xlabel << "'" << endl;
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| 326 | output << "set ylabel '" << ylabel << "'" << endl;
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| 327 | output << "set terminal eps color" << endl;
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| 328 | output << "set output '"<< prefix << ".eps'" << endl;
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| 329 | };
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| 330 |
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| 331 | /** Creates the pyxplotfile for energy data.
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| 332 | * \param Matrix MatrixContainer with matrix values
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| 333 | * \param KeySet contains bond order
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| 334 | * \param *dir directory
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| 335 | * \param *prefix prefix for all filenames (without ending)
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| 336 | * \param keycolumns number of columns of the key
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| 337 | * \param *key position of key
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| 338 | * \param logscale axis for logscale
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| 339 | * \param mxtics small tics at ...
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| 340 | * \param xtics large tics at ...
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| 341 | * \param xlabel label for x axis
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| 342 | * \param xlabel label for x axis
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| 343 | * \param *xrange xrange
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| 344 | * \param *yrange yrange
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| 345 | * \param *xargument number of column to plot against (x axis)
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| 346 | * \param uses using string for plot command
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| 347 | * \param (*CreatePlotLines) function reference that writes a single plot line
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| 348 | * \return true if file was written successfully
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| 349 | */
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| 350 | 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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| 351 | {
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| 352 | stringstream filename;
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| 353 | ofstream output;
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| 354 |
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| 355 | filename << prefix << ".pyx";
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| 356 | if (!OpenOutputFile(output, dir, filename.str().c_str())) return false;
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| 357 | CreatePlotHeader(output, prefix, keycolumns, key, logscale, extraline, mxtics, xtics, xlabel, ylabel);
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| 358 | output << "plot " << xrange << " " << yrange << " \\" << endl;
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| 359 | CreatePlotLines(output, Matrix, prefix, xargument, uses);
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| 360 | output.close();
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| 361 | return true;
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| 362 | };
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| 363 |
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| 364 | /** Writes plot lines for absolute energies.
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| 365 | * \param output file handler
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| 366 | * \param Energy MatrixContainer with matrix values
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| 367 | * \param *prefix prefix of data file
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|---|
| 368 | * \param *xargument number of column to plot against (x axis)
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| 369 | * \param *uses uses command
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|---|
| 370 | */
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| 371 | void AbsEnergyPlotLine(ofstream &output, class MatrixContainer &Energy, const char *prefix, const char *xargument, const char *uses)
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| 372 | {
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| 373 | char item[1024];
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| 374 | stringstream line(Energy.Header);
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| 375 |
|
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| 376 | line >> item;
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|---|
| 377 | for (int i=3; i< Energy.ColumnCounter;i++) {
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|---|
| 378 | line >> item;
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|---|
| 379 | output << "'" << prefix << ".dat' title '" << item << "' using " << xargument << ":(abs($" << i+1 << ")) " << uses;
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| 380 | if (i != (Energy.ColumnCounter-1))
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|---|
| 381 | output << ", \\";
|
|---|
| 382 | output << endl;
|
|---|
| 383 | }
|
|---|
| 384 | };
|
|---|
| 385 |
|
|---|
| 386 | /** Writes plot lines for energies.
|
|---|
| 387 | * \param output file handler
|
|---|
| 388 | * \param Energy MatrixContainer with matrix values
|
|---|
| 389 | * \param *prefix prefix of data file
|
|---|
| 390 | * \param *xargument number of column to plot against (x axis)
|
|---|
| 391 | * \param *uses uses command
|
|---|
| 392 | */
|
|---|
| 393 | void EnergyPlotLine(ofstream &output, class MatrixContainer &Energy, const char *prefix, const char *xargument, const char *uses)
|
|---|
| 394 | {
|
|---|
| 395 | char item[1024];
|
|---|
| 396 | stringstream line(Energy.Header);
|
|---|
| 397 |
|
|---|
| 398 | line >> item;
|
|---|
| 399 | for (int i=3; i< Energy.ColumnCounter;i++) {
|
|---|
| 400 | line >> item;
|
|---|
| 401 | output << "'" << prefix << ".dat' title '" << item << "' using " << xargument << ":" << i+1 << " " << uses;
|
|---|
| 402 | if (i != (Energy.ColumnCounter-1))
|
|---|
| 403 | output << ", \\";
|
|---|
| 404 | output << endl;
|
|---|
| 405 | }
|
|---|
| 406 | };
|
|---|
| 407 |
|
|---|
| 408 | /** Writes plot lines for absolute force magnitudes.
|
|---|
| 409 | * \param output file handler
|
|---|
| 410 | * \param Force MatrixContainer with matrix values
|
|---|
| 411 | * \param *prefix prefix of data file
|
|---|
| 412 | * \param *xargument number of column to plot against (x axis)
|
|---|
| 413 | * \param *uses uses command
|
|---|
| 414 | */
|
|---|
| 415 | void ForceMagnitudePlotLine(ofstream &output, class MatrixContainer &Force, const char *prefix, const char *xargument, const char *uses)
|
|---|
| 416 | {
|
|---|
| 417 | char item[1024];
|
|---|
| 418 | stringstream line(Force.Header);
|
|---|
| 419 |
|
|---|
| 420 | line >> item;
|
|---|
| 421 | line >> item;
|
|---|
| 422 | line >> item;
|
|---|
| 423 | line >> item;
|
|---|
| 424 | line >> item;
|
|---|
| 425 | for (int i=7; i< Force.ColumnCounter;i+=NDIM) {
|
|---|
| 426 | line >> item;
|
|---|
| 427 | item[strlen(item)-1] = '\0'; // kill residual index char (the '0')
|
|---|
| 428 | output << "'" << prefix << ".dat' title '" << item << "' using " << xargument << ":(sqrt($" << i+1 << "*$" << i+1 << "+$" << i+2 << "*$" << i+2 << "+$" << i+3 << "*$" << i+3 << ")) " << uses;
|
|---|
| 429 | if (i != (Force.ColumnCounter-1))
|
|---|
| 430 | output << ", \\";
|
|---|
| 431 | output << endl;
|
|---|
| 432 | line >> item;
|
|---|
| 433 | line >> item;
|
|---|
| 434 | }
|
|---|
| 435 | };
|
|---|
| 436 |
|
|---|
| 437 | /** Writes plot lines for first component of force vector.
|
|---|
| 438 | * \param output file handler
|
|---|
| 439 | * \param Force MatrixContainer with matrix values
|
|---|
| 440 | * \param *prefix prefix of data file
|
|---|
| 441 | * \param *xargument number of column to plot against (x axis)
|
|---|
| 442 | * \param *uses uses command
|
|---|
| 443 | */
|
|---|
| 444 | void AbsFirstForceValuePlotLine(ofstream &output, class MatrixContainer &Force, const char *prefix, const char *xargument, const char *uses)
|
|---|
| 445 | {
|
|---|
| 446 | char item[1024];
|
|---|
| 447 | stringstream line(Force.Header);
|
|---|
| 448 |
|
|---|
| 449 | line >> item;
|
|---|
| 450 | line >> item;
|
|---|
| 451 | line >> item;
|
|---|
| 452 | line >> item;
|
|---|
| 453 | line >> item;
|
|---|
| 454 | for (int i=7; i< Force.ColumnCounter;i+=NDIM) {
|
|---|
| 455 | line >> item;
|
|---|
| 456 | item[strlen(item)-1] = '\0'; // kill residual index char (the '0')
|
|---|
| 457 | output << "'" << prefix << ".dat' title '" << item << "' using " << xargument << ":(abs($" << i+1 << ")) " << uses;
|
|---|
| 458 | if (i != (Force.ColumnCounter-1))
|
|---|
| 459 | output << ", \\";
|
|---|
| 460 | output << endl;
|
|---|
| 461 | line >> item;
|
|---|
| 462 | line >> item;
|
|---|
| 463 | }
|
|---|
| 464 | };
|
|---|
| 465 |
|
|---|
| 466 | /** Writes plot lines for force vector as boxes with a fillcolor.
|
|---|
| 467 | * \param output file handler
|
|---|
| 468 | * \param Force MatrixContainer with matrix values
|
|---|
| 469 | * \param *prefix prefix of data file
|
|---|
| 470 | * \param *xargument number of column to plot against (x axis)
|
|---|
| 471 | * \param *uses uses command
|
|---|
| 472 | */
|
|---|
| 473 | void BoxesForcePlotLine(ofstream &output, class MatrixContainer &Force, const char *prefix, const char *xargument, const char *uses)
|
|---|
| 474 | {
|
|---|
| 475 | char item[1024];
|
|---|
| 476 | stringstream line(Force.Header);
|
|---|
| 477 | char *fillcolor[5] = {"black", "red", "blue", "green", "cyan"};
|
|---|
| 478 |
|
|---|
| 479 | line >> item;
|
|---|
| 480 | line >> item;
|
|---|
| 481 | line >> item;
|
|---|
| 482 | line >> item;
|
|---|
| 483 | line >> item;
|
|---|
| 484 | for (int i=7; i< Force.ColumnCounter;i+=NDIM) {
|
|---|
| 485 | line >> item;
|
|---|
| 486 | item[strlen(item)-1] = '\0'; // kill residual index char (the '0')
|
|---|
| 487 | output << "'" << prefix << ".dat' title '" << item << "' using ($" << xargument << "+" << fixed << setprecision(1) << (double)((i-7)/3)*0.2 << "):(sqrt($" << i+1 << "*$" << i+1 << "+$" << i+2 << "*$" << i+2 << "+$" << i+3 << "*$" << i+3 << ")) " << uses << " " << fillcolor[(i-7)/3];
|
|---|
| 488 | if (i != (Force.ColumnCounter-1))
|
|---|
| 489 | output << ", \\";
|
|---|
| 490 | output << endl;
|
|---|
| 491 | line >> item;
|
|---|
| 492 | line >> item;
|
|---|
| 493 | }
|
|---|
| 494 | };
|
|---|
| 495 |
|
|---|
| 496 | /** Writes plot lines for first force vector component as boxes with a fillcolor.
|
|---|
| 497 | * \param output file handler
|
|---|
| 498 | * \param Force MatrixContainer with matrix values
|
|---|
| 499 | * \param *prefix prefix of data file
|
|---|
| 500 | * \param *xargument number of column to plot against (x axis)
|
|---|
| 501 | * \param *uses uses command
|
|---|
| 502 | */
|
|---|
| 503 | void BoxesFirstForceValuePlotLine(ofstream &output, class MatrixContainer &Force, const char *prefix, const char *xargument, const char *uses)
|
|---|
| 504 | {
|
|---|
| 505 | char item[1024];
|
|---|
| 506 | stringstream line(Force.Header);
|
|---|
| 507 | char *fillcolor[5] = {"black", "red", "blue", "green", "cyan"};
|
|---|
| 508 |
|
|---|
| 509 | line >> item;
|
|---|
| 510 | line >> item;
|
|---|
| 511 | line >> item;
|
|---|
| 512 | line >> item;
|
|---|
| 513 | line >> item;
|
|---|
| 514 | for (int i=7; i< Force.ColumnCounter;i+=NDIM) {
|
|---|
| 515 | line >> item;
|
|---|
| 516 | item[strlen(item)-1] = '\0'; // kill residual index char (the '0')
|
|---|
| 517 | output << "'" << prefix << ".dat' title '" << item << "' using ($" << xargument << "+" << fixed << setprecision(1) << (double)((i-7)/3)*0.2 << "):" << i+1 << " " << uses << " " << fillcolor[(i-7)/3];
|
|---|
| 518 | if (i != (Force.ColumnCounter-1))
|
|---|
| 519 | output << ", \\";
|
|---|
| 520 | output << endl;
|
|---|
| 521 | line >> item;
|
|---|
| 522 | line >> item;
|
|---|
| 523 | }
|
|---|
| 524 | };
|
|---|
