| 1 | /*
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| 2 | * analysis.cpp
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| 3 | *
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| 4 | * Created on: Oct 13, 2009
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | #include <iostream>
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| 9 |
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| 10 | #include "analysis_correlation.hpp"
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| 11 | #include "element.hpp"
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| 12 | #include "info.hpp"
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| 13 | #include "log.hpp"
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| 14 | #include "molecule.hpp"
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| 15 | #include "tesselation.hpp"
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| 16 | #include "tesselationhelpers.hpp"
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| 17 | #include "triangleintersectionlist.hpp"
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| 18 | #include "vector.hpp"
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| 19 | #include "verbose.hpp"
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| 20 | #include "World.hpp"
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| 21 |
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| 22 |
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| 23 | /** Calculates the pair correlation between given elements.
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| 24 | * Note given element order is unimportant (i.e. g(Si, O) === g(O, Si))
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| 25 | * \param *out output stream for debugging
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| 26 | * \param *molecules list of molecules structure
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| 27 | * \param *type1 first element or NULL (if any element)
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| 28 | * \param *type2 second element or NULL (if any element)
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| 29 | * \return Map of doubles with values the pair of the two atoms.
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| 30 | */
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| 31 | PairCorrelationMap *PairCorrelation(MoleculeListClass * const &molecules, const element * const type1, const element * const type2 )
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| 32 | {
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| 33 | Info FunctionInfo(__func__);
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| 34 | PairCorrelationMap *outmap = NULL;
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| 35 | double distance = 0.;
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| 36 |
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| 37 | if (molecules->ListOfMolecules.empty()) {
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| 38 | DoeLog(1) && (eLog()<< Verbose(1) <<"No molecule given." << endl);
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| 39 | return outmap;
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| 40 | }
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| 41 | outmap = new PairCorrelationMap;
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| 42 | for (MoleculeList::const_iterator MolWalker = molecules->ListOfMolecules.begin(); MolWalker != molecules->ListOfMolecules.end(); MolWalker++)
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| 43 | if ((*MolWalker)->ActiveFlag) {
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| 44 | DoeLog(2) && (eLog()<< Verbose(2) << "Current molecule is " << *MolWalker << "." << endl);
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| 45 | atom *Walker = (*MolWalker)->start;
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| 46 | while (Walker->next != (*MolWalker)->end) {
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| 47 | Walker = Walker->next;
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| 48 | DoLog(3) && (Log() << Verbose(3) << "Current atom is " << *Walker << "." << endl);
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| 49 | if ((type1 == NULL) || (Walker->type == type1)) {
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| 50 | for (MoleculeList::const_iterator MolOtherWalker = MolWalker; MolOtherWalker != molecules->ListOfMolecules.end(); MolOtherWalker++)
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| 51 | if ((*MolOtherWalker)->ActiveFlag) {
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| 52 | DoLog(2) && (Log() << Verbose(2) << "Current other molecule is " << *MolOtherWalker << "." << endl);
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| 53 | atom *OtherWalker = (*MolOtherWalker)->start;
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| 54 | while (OtherWalker->next != (*MolOtherWalker)->end) { // only go up to Walker
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| 55 | OtherWalker = OtherWalker->next;
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| 56 | DoLog(3) && (Log() << Verbose(3) << "Current otheratom is " << *OtherWalker << "." << endl);
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| 57 | if (Walker->nr < OtherWalker->nr)
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| 58 | if ((type2 == NULL) || (OtherWalker->type == type2)) {
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| 59 | distance = Walker->node->PeriodicDistance(*OtherWalker->node, World::getInstance().getDomain());
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| 60 | //Log() << Verbose(1) <<"Inserting " << *Walker << " and " << *OtherWalker << endl;
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| 61 | outmap->insert ( pair<double, pair <atom *, atom*> > (distance, pair<atom *, atom*> (Walker, OtherWalker) ) );
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| 62 | }
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| 63 | }
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| 64 | }
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| 65 | }
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| 66 | }
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| 67 | }
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| 68 |
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| 69 | return outmap;
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| 70 | };
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| 71 |
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| 72 | /** Calculates the pair correlation between given elements.
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| 73 | * Note given element order is unimportant (i.e. g(Si, O) === g(O, Si))
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| 74 | * \param *out output stream for debugging
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| 75 | * \param *molecules list of molecules structure
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| 76 | * \param *type1 first element or NULL (if any element)
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| 77 | * \param *type2 second element or NULL (if any element)
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| 78 | * \param ranges[NDIM] interval boundaries for the periodic images to scan also
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| 79 | * \return Map of doubles with values the pair of the two atoms.
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| 80 | */
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| 81 | PairCorrelationMap *PeriodicPairCorrelation(MoleculeListClass * const &molecules, const element * const type1, const element * const type2, const int ranges[NDIM] )
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| 82 | {
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| 83 | Info FunctionInfo(__func__);
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| 84 | PairCorrelationMap *outmap = NULL;
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| 85 | double distance = 0.;
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| 86 | int n[NDIM];
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| 87 | Vector checkX;
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| 88 | Vector periodicX;
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| 89 | int Othern[NDIM];
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| 90 | Vector checkOtherX;
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| 91 | Vector periodicOtherX;
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| 92 |
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| 93 | if (molecules->ListOfMolecules.empty()) {
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| 94 | DoeLog(1) && (eLog()<< Verbose(1) <<"No molecule given." << endl);
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| 95 | return outmap;
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| 96 | }
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| 97 | outmap = new PairCorrelationMap;
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| 98 | for (MoleculeList::const_iterator MolWalker = molecules->ListOfMolecules.begin(); MolWalker != molecules->ListOfMolecules.end(); MolWalker++)
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| 99 | if ((*MolWalker)->ActiveFlag) {
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| 100 | double * FullMatrix = ReturnFullMatrixforSymmetric(World::getInstance().getDomain());
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| 101 | double * FullInverseMatrix = InverseMatrix(FullMatrix);
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| 102 | DoeLog(2) && (eLog()<< Verbose(2) << "Current molecule is " << *MolWalker << "." << endl);
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| 103 | atom *Walker = (*MolWalker)->start;
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| 104 | while (Walker->next != (*MolWalker)->end) {
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| 105 | Walker = Walker->next;
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| 106 | DoLog(3) && (Log() << Verbose(3) << "Current atom is " << *Walker << "." << endl);
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| 107 | if ((type1 == NULL) || (Walker->type == type1)) {
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| 108 | periodicX = *(Walker->node);
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| 109 | periodicX.MatrixMultiplication(FullInverseMatrix); // x now in [0,1)^3
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| 110 | // go through every range in xyz and get distance
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| 111 | for (n[0]=-ranges[0]; n[0] <= ranges[0]; n[0]++)
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| 112 | for (n[1]=-ranges[1]; n[1] <= ranges[1]; n[1]++)
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| 113 | for (n[2]=-ranges[2]; n[2] <= ranges[2]; n[2]++) {
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| 114 | checkX = Vector(n[0], n[1], n[2]) + periodicX;
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| 115 | checkX.MatrixMultiplication(FullMatrix);
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| 116 | for (MoleculeList::const_iterator MolOtherWalker = MolWalker; MolOtherWalker != molecules->ListOfMolecules.end(); MolOtherWalker++)
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| 117 | if ((*MolOtherWalker)->ActiveFlag) {
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| 118 | DoLog(2) && (Log() << Verbose(2) << "Current other molecule is " << *MolOtherWalker << "." << endl);
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| 119 | atom *OtherWalker = (*MolOtherWalker)->start;
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| 120 | while (OtherWalker->next != (*MolOtherWalker)->end) { // only go up to Walker
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| 121 | OtherWalker = OtherWalker->next;
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| 122 | DoLog(3) && (Log() << Verbose(3) << "Current otheratom is " << *OtherWalker << "." << endl);
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| 123 | if (Walker->nr < OtherWalker->nr)
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| 124 | if ((type2 == NULL) || (OtherWalker->type == type2)) {
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| 125 | periodicOtherX = *(OtherWalker->node);
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| 126 | periodicOtherX.MatrixMultiplication(FullInverseMatrix); // x now in [0,1)^3
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| 127 | // go through every range in xyz and get distance
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| 128 | for (Othern[0]=-ranges[0]; Othern[0] <= ranges[0]; Othern[0]++)
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| 129 | for (Othern[1]=-ranges[1]; Othern[1] <= ranges[1]; Othern[1]++)
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| 130 | for (Othern[2]=-ranges[2]; Othern[2] <= ranges[2]; Othern[2]++) {
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| 131 | checkOtherX = Vector(Othern[0], Othern[1], Othern[2]) + periodicOtherX;
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| 132 | checkOtherX.MatrixMultiplication(FullMatrix);
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| 133 | distance = checkX.Distance(checkOtherX);
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| 134 | //Log() << Verbose(1) <<"Inserting " << *Walker << " and " << *OtherWalker << endl;
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| 135 | outmap->insert ( pair<double, pair <atom *, atom*> > (distance, pair<atom *, atom*> (Walker, OtherWalker) ) );
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| 136 | }
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| 137 | }
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| 138 | }
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| 139 | }
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| 140 | }
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| 141 | }
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| 142 | }
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| 143 | Free(&FullMatrix);
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| 144 | Free(&FullInverseMatrix);
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| 145 | }
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| 146 |
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| 147 | return outmap;
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| 148 | };
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| 149 |
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| 150 | /** Calculates the distance (pair) correlation between a given element and a point.
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| 151 | * \param *out output stream for debugging
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| 152 | * \param *molecules list of molecules structure
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| 153 | * \param *type element or NULL (if any element)
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| 154 | * \param *point vector to the correlation point
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| 155 | * \return Map of dobules with values as pairs of atom and the vector
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| 156 | */
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| 157 | CorrelationToPointMap *CorrelationToPoint(MoleculeListClass * const &molecules, const element * const type, const Vector *point )
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| 158 | {
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| 159 | Info FunctionInfo(__func__);
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| 160 | CorrelationToPointMap *outmap = NULL;
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| 161 | double distance = 0.;
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| 162 |
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| 163 | if (molecules->ListOfMolecules.empty()) {
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| 164 | DoLog(1) && (Log() << Verbose(1) <<"No molecule given." << endl);
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| 165 | return outmap;
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| 166 | }
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| 167 | outmap = new CorrelationToPointMap;
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| 168 | for (MoleculeList::const_iterator MolWalker = molecules->ListOfMolecules.begin(); MolWalker != molecules->ListOfMolecules.end(); MolWalker++)
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| 169 | if ((*MolWalker)->ActiveFlag) {
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| 170 | DoLog(2) && (Log() << Verbose(2) << "Current molecule is " << *MolWalker << "." << endl);
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| 171 | atom *Walker = (*MolWalker)->start;
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| 172 | while (Walker->next != (*MolWalker)->end) {
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| 173 | Walker = Walker->next;
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| 174 | DoLog(3) && (Log() << Verbose(3) << "Current atom is " << *Walker << "." << endl);
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| 175 | if ((type == NULL) || (Walker->type == type)) {
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| 176 | distance = Walker->node->PeriodicDistance(*point, World::getInstance().getDomain());
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| 177 | DoLog(4) && (Log() << Verbose(4) << "Current distance is " << distance << "." << endl);
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| 178 | outmap->insert ( pair<double, pair<atom *, const Vector*> >(distance, pair<atom *, const Vector*> (Walker, point) ) );
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| 179 | }
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| 180 | }
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| 181 | }
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| 182 |
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| 183 | return outmap;
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| 184 | };
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| 185 |
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| 186 | /** Calculates the distance (pair) correlation between a given element, all its periodic images and a point.
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| 187 | * \param *out output stream for debugging
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| 188 | * \param *molecules list of molecules structure
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| 189 | * \param *type element or NULL (if any element)
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| 190 | * \param *point vector to the correlation point
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| 191 | * \param ranges[NDIM] interval boundaries for the periodic images to scan also
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| 192 | * \return Map of dobules with values as pairs of atom and the vector
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| 193 | */
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| 194 | CorrelationToPointMap *PeriodicCorrelationToPoint(MoleculeListClass * const &molecules, const element * const type, const Vector *point, const int ranges[NDIM] )
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| 195 | {
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| 196 | Info FunctionInfo(__func__);
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| 197 | CorrelationToPointMap *outmap = NULL;
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| 198 | double distance = 0.;
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| 199 | int n[NDIM];
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| 200 | Vector periodicX;
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| 201 | Vector checkX;
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| 202 |
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| 203 | if (molecules->ListOfMolecules.empty()) {
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| 204 | DoLog(1) && (Log() << Verbose(1) <<"No molecule given." << endl);
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| 205 | return outmap;
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| 206 | }
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| 207 | outmap = new CorrelationToPointMap;
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| 208 | for (MoleculeList::const_iterator MolWalker = molecules->ListOfMolecules.begin(); MolWalker != molecules->ListOfMolecules.end(); MolWalker++)
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| 209 | if ((*MolWalker)->ActiveFlag) {
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| 210 | double * FullMatrix = ReturnFullMatrixforSymmetric(World::getInstance().getDomain());
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| 211 | double * FullInverseMatrix = InverseMatrix(FullMatrix);
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| 212 | DoLog(2) && (Log() << Verbose(2) << "Current molecule is " << *MolWalker << "." << endl);
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| 213 | atom *Walker = (*MolWalker)->start;
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| 214 | while (Walker->next != (*MolWalker)->end) {
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| 215 | Walker = Walker->next;
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| 216 | DoLog(3) && (Log() << Verbose(3) << "Current atom is " << *Walker << "." << endl);
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| 217 | if ((type == NULL) || (Walker->type == type)) {
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| 218 | periodicX = *(Walker->node);
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| 219 | periodicX.MatrixMultiplication(FullInverseMatrix); // x now in [0,1)^3
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| 220 | // go through every range in xyz and get distance
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| 221 | for (n[0]=-ranges[0]; n[0] <= ranges[0]; n[0]++)
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| 222 | for (n[1]=-ranges[1]; n[1] <= ranges[1]; n[1]++)
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| 223 | for (n[2]=-ranges[2]; n[2] <= ranges[2]; n[2]++) {
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| 224 | checkX = Vector(n[0], n[1], n[2]) + periodicX;
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| 225 | checkX.MatrixMultiplication(FullMatrix);
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| 226 | distance = checkX.Distance(*point);
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| 227 | DoLog(4) && (Log() << Verbose(4) << "Current distance is " << distance << "." << endl);
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| 228 | outmap->insert ( pair<double, pair<atom *, const Vector*> >(distance, pair<atom *, const Vector*> (Walker, point) ) );
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| 229 | }
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| 230 | }
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| 231 | }
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| 232 | Free(&FullMatrix);
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| 233 | Free(&FullInverseMatrix);
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| 234 | }
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| 235 |
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| 236 | return outmap;
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| 237 | };
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| 238 |
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| 239 | /** Calculates the distance (pair) correlation between a given element and a surface.
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| 240 | * \param *out output stream for debugging
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| 241 | * \param *molecules list of molecules structure
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| 242 | * \param *type element or NULL (if any element)
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| 243 | * \param *Surface pointer to Tesselation class surface
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| 244 | * \param *LC LinkedCell structure to quickly find neighbouring atoms
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| 245 | * \return Map of doubles with values as pairs of atom and the BoundaryTriangleSet that's closest
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| 246 | */
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| 247 | CorrelationToSurfaceMap *CorrelationToSurface(MoleculeListClass * const &molecules, const element * const type, const Tesselation * const Surface, const LinkedCell *LC )
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| 248 | {
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| 249 | Info FunctionInfo(__func__);
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| 250 | CorrelationToSurfaceMap *outmap = NULL;
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| 251 | double distance = 0;
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| 252 | class BoundaryTriangleSet *triangle = NULL;
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| 253 | Vector centroid;
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| 254 |
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| 255 | if ((Surface == NULL) || (LC == NULL) || (molecules->ListOfMolecules.empty())) {
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| 256 | DoeLog(1) && (eLog()<< Verbose(1) <<"No Tesselation, no LinkedCell or no molecule given." << endl);
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| 257 | return outmap;
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| 258 | }
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| 259 | outmap = new CorrelationToSurfaceMap;
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| 260 | for (MoleculeList::const_iterator MolWalker = molecules->ListOfMolecules.begin(); MolWalker != molecules->ListOfMolecules.end(); MolWalker++)
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| 261 | if ((*MolWalker)->ActiveFlag) {
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| 262 | DoLog(1) && (Log() << Verbose(1) << "Current molecule is " << (*MolWalker)->name << "." << endl);
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| 263 | atom *Walker = (*MolWalker)->start;
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| 264 | while (Walker->next != (*MolWalker)->end) {
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| 265 | Walker = Walker->next;
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| 266 | //Log() << Verbose(1) << "Current atom is " << *Walker << "." << endl;
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| 267 | if ((type == NULL) || (Walker->type == type)) {
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| 268 | TriangleIntersectionList Intersections(Walker->node,Surface,LC);
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| 269 | distance = Intersections.GetSmallestDistance();
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| 270 | triangle = Intersections.GetClosestTriangle();
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| 271 | outmap->insert ( pair<double, pair<atom *, BoundaryTriangleSet*> >(distance, pair<atom *, BoundaryTriangleSet*> (Walker, triangle) ) );
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| 272 | }
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| 273 | }
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| 274 | } else
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| 275 | DoLog(1) && (Log() << Verbose(1) << "molecule " << (*MolWalker)->name << " is not active." << endl);
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| 276 |
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| 277 | return outmap;
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| 278 | };
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| 279 |
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| 280 | /** Calculates the distance (pair) correlation between a given element, all its periodic images and and a surface.
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| 281 | * Note that we also put all periodic images found in the cells given by [ -ranges[i], ranges[i] ] and i=0,...,NDIM-1.
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| 282 | * I.e. We multiply the atom::node with the inverse of the domain matrix, i.e. transform it to \f$[0,0^3\f$, then add per
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| 283 | * axis an integer from [ -ranges[i], ranges[i] ] onto it and multiply with the domain matrix to bring it back into
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| 284 | * the real space. Then, we Tesselation::FindClosestTriangleToPoint() and DistanceToTrianglePlane().
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| 285 | * \param *out output stream for debugging
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| 286 | * \param *molecules list of molecules structure
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| 287 | * \param *type element or NULL (if any element)
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| 288 | * \param *Surface pointer to Tesselation class surface
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| 289 | * \param *LC LinkedCell structure to quickly find neighbouring atoms
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| 290 | * \param ranges[NDIM] interval boundaries for the periodic images to scan also
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| 291 | * \return Map of doubles with values as pairs of atom and the BoundaryTriangleSet that's closest
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| 292 | */
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| 293 | CorrelationToSurfaceMap *PeriodicCorrelationToSurface(MoleculeListClass * const &molecules, const element * const type, const Tesselation * const Surface, const LinkedCell *LC, const int ranges[NDIM] )
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| 294 | {
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| 295 | Info FunctionInfo(__func__);
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| 296 | CorrelationToSurfaceMap *outmap = NULL;
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| 297 | double distance = 0;
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| 298 | class BoundaryTriangleSet *triangle = NULL;
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| 299 | Vector centroid;
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| 300 | int n[NDIM];
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| 301 | Vector periodicX;
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| 302 | Vector checkX;
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| 303 |
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| 304 | if ((Surface == NULL) || (LC == NULL) || (molecules->ListOfMolecules.empty())) {
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| 305 | DoLog(1) && (Log() << Verbose(1) <<"No Tesselation, no LinkedCell or no molecule given." << endl);
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| 306 | return outmap;
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| 307 | }
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| 308 | outmap = new CorrelationToSurfaceMap;
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| 309 | double ShortestDistance = 0.;
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| 310 | BoundaryTriangleSet *ShortestTriangle = NULL;
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| 311 | for (MoleculeList::const_iterator MolWalker = molecules->ListOfMolecules.begin(); MolWalker != molecules->ListOfMolecules.end(); MolWalker++)
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| 312 | if ((*MolWalker)->ActiveFlag) {
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| 313 | double * FullMatrix = ReturnFullMatrixforSymmetric(World::getInstance().getDomain());
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| 314 | double * FullInverseMatrix = InverseMatrix(FullMatrix);
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| 315 | DoLog(2) && (Log() << Verbose(2) << "Current molecule is " << *MolWalker << "." << endl);
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| 316 | atom *Walker = (*MolWalker)->start;
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| 317 | while (Walker->next != (*MolWalker)->end) {
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| 318 | Walker = Walker->next;
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| 319 | DoLog(3) && (Log() << Verbose(3) << "Current atom is " << *Walker << "." << endl);
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| 320 | if ((type == NULL) || (Walker->type == type)) {
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| 321 | periodicX = *(Walker->node);
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| 322 | periodicX.MatrixMultiplication(FullInverseMatrix); // x now in [0,1)^3
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| 323 | // go through every range in xyz and get distance
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| 324 | ShortestDistance = -1.;
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| 325 | for (n[0]=-ranges[0]; n[0] <= ranges[0]; n[0]++)
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| 326 | for (n[1]=-ranges[1]; n[1] <= ranges[1]; n[1]++)
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| 327 | for (n[2]=-ranges[2]; n[2] <= ranges[2]; n[2]++) {
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| 328 | checkX = Vector(n[0], n[1], n[2]) + periodicX;
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| 329 | checkX.MatrixMultiplication(FullMatrix);
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| 330 | TriangleIntersectionList Intersections(&checkX,Surface,LC);
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| 331 | distance = Intersections.GetSmallestDistance();
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| 332 | triangle = Intersections.GetClosestTriangle();
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| 333 | if ((ShortestDistance == -1.) || (distance < ShortestDistance)) {
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| 334 | ShortestDistance = distance;
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| 335 | ShortestTriangle = triangle;
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| 336 | }
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| 337 | }
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| 338 | // insert
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| 339 | outmap->insert ( pair<double, pair<atom *, BoundaryTriangleSet*> >(ShortestDistance, pair<atom *, BoundaryTriangleSet*> (Walker, ShortestTriangle) ) );
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| 340 | //Log() << Verbose(1) << "INFO: Inserting " << Walker << " with distance " << ShortestDistance << " to " << *ShortestTriangle << "." << endl;
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| 341 | }
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| 342 | }
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| 343 | Free(&FullMatrix);
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| 344 | Free(&FullInverseMatrix);
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| 345 | }
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| 346 |
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| 347 | return outmap;
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| 348 | };
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| 349 |
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| 350 | /** Returns the index of the bin for a given value.
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| 351 | * \param value value whose bin to look for
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| 352 | * \param BinWidth width of bin
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| 353 | * \param BinStart first bin
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| 354 | */
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| 355 | int GetBin ( const double value, const double BinWidth, const double BinStart )
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| 356 | {
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| 357 | Info FunctionInfo(__func__);
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| 358 | int bin =(int) (floor((value - BinStart)/BinWidth));
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| 359 | return (bin);
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| 360 | };
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| 361 |
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| 362 |
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| 363 | /** Prints correlation (double, int) pairs to file.
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| 364 | * \param *file file to write to
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| 365 | * \param *map map to write
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| 366 | */
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| 367 | void OutputCorrelation( ofstream * const file, const BinPairMap * const map )
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| 368 | {
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| 369 | Info FunctionInfo(__func__);
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| 370 | *file << "BinStart\tCount" << endl;
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| 371 | for (BinPairMap::const_iterator runner = map->begin(); runner != map->end(); ++runner) {
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| 372 | *file << setprecision(8) << runner->first << "\t" << runner->second << endl;
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| 373 | }
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| 374 | };
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| 375 |
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| 376 | /** Prints correlation (double, (atom*,atom*) ) pairs to file.
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| 377 | * \param *file file to write to
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| 378 | * \param *map map to write
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| 379 | */
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| 380 | void OutputPairCorrelation( ofstream * const file, const PairCorrelationMap * const map )
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| 381 | {
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| 382 | Info FunctionInfo(__func__);
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| 383 | *file << "BinStart\tAtom1\tAtom2" << endl;
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| 384 | for (PairCorrelationMap::const_iterator runner = map->begin(); runner != map->end(); ++runner) {
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| 385 | *file << setprecision(8) << runner->first << "\t" << *(runner->second.first) << "\t" << *(runner->second.second) << endl;
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| 386 | }
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|---|
| 387 | };
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|---|
| 388 |
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| 389 | /** Prints correlation (double, int) pairs to file.
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|---|
| 390 | * \param *file file to write to
|
|---|
| 391 | * \param *map map to write
|
|---|
| 392 | */
|
|---|
| 393 | void OutputCorrelationToPoint( ofstream * const file, const CorrelationToPointMap * const map )
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|---|
| 394 | {
|
|---|
| 395 | Info FunctionInfo(__func__);
|
|---|
| 396 | *file << "BinStart\tAtom::x[i]-point.x[i]" << endl;
|
|---|
| 397 | for (CorrelationToPointMap::const_iterator runner = map->begin(); runner != map->end(); ++runner) {
|
|---|
| 398 | *file << runner->first;
|
|---|
| 399 | for (int i=0;i<NDIM;i++)
|
|---|
| 400 | *file << "\t" << setprecision(8) << (runner->second.first->node->at(i) - runner->second.second->at(i));
|
|---|
| 401 | *file << endl;
|
|---|
| 402 | }
|
|---|
| 403 | };
|
|---|
| 404 |
|
|---|
| 405 | /** Prints correlation (double, int) pairs to file.
|
|---|
| 406 | * \param *file file to write to
|
|---|
| 407 | * \param *map map to write
|
|---|
| 408 | */
|
|---|
| 409 | void OutputCorrelationToSurface( ofstream * const file, const CorrelationToSurfaceMap * const map )
|
|---|
| 410 | {
|
|---|
| 411 | Info FunctionInfo(__func__);
|
|---|
| 412 | *file << "BinStart\tTriangle" << endl;
|
|---|
| 413 | if (!map->empty())
|
|---|
| 414 | for (CorrelationToSurfaceMap::const_iterator runner = map->begin(); runner != map->end(); ++runner) {
|
|---|
| 415 | *file << setprecision(8) << runner->first << "\t" << *(runner->second.first) << "\t" << *(runner->second.second) << endl;
|
|---|
| 416 | }
|
|---|
| 417 | };
|
|---|
| 418 |
|
|---|
