1 | /*
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2 | * tesselation.cpp
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3 | *
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4 | * Created on: Aug 3, 2009
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5 | * Author: heber
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6 | */
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7 |
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8 | #include "tesselation.hpp"
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9 |
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10 | // ======================================== Points on Boundary =================================
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11 |
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12 | BoundaryPointSet::BoundaryPointSet()
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13 | {
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14 | LinesCount = 0;
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15 | Nr = -1;
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16 | }
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17 | ;
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18 |
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19 | BoundaryPointSet::BoundaryPointSet(TesselPoint *Walker)
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20 | {
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21 | node = Walker;
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22 | LinesCount = 0;
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23 | Nr = Walker->nr;
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24 | }
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25 | ;
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26 |
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27 | BoundaryPointSet::~BoundaryPointSet()
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28 | {
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29 | cout << Verbose(5) << "Erasing point nr. " << Nr << "." << endl;
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30 | if (!lines.empty())
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31 | cerr << "WARNING: Memory Leak! I " << *this << " am still connected to some lines." << endl;
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32 | node = NULL;
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33 | }
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34 | ;
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35 |
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36 | void BoundaryPointSet::AddLine(class BoundaryLineSet *line)
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37 | {
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38 | cout << Verbose(6) << "Adding " << *this << " to line " << *line << "."
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39 | << endl;
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40 | if (line->endpoints[0] == this)
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41 | {
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42 | lines.insert(LinePair(line->endpoints[1]->Nr, line));
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43 | }
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44 | else
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45 | {
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46 | lines.insert(LinePair(line->endpoints[0]->Nr, line));
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47 | }
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48 | LinesCount++;
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49 | }
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50 | ;
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51 |
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52 | ostream &
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53 | operator <<(ostream &ost, BoundaryPointSet &a)
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54 | {
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55 | ost << "[" << a.Nr << "|" << a.node->Name << "]";
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56 | return ost;
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57 | }
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58 | ;
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59 |
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60 | // ======================================== Lines on Boundary =================================
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61 |
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62 | BoundaryLineSet::BoundaryLineSet()
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63 | {
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64 | for (int i = 0; i < 2; i++)
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65 | endpoints[i] = NULL;
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66 | TrianglesCount = 0;
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67 | Nr = -1;
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68 | }
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69 | ;
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70 |
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71 | BoundaryLineSet::BoundaryLineSet(class BoundaryPointSet *Point[2], int number)
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72 | {
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73 | // set number
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74 | Nr = number;
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75 | // set endpoints in ascending order
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76 | SetEndpointsOrdered(endpoints, Point[0], Point[1]);
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77 | // add this line to the hash maps of both endpoints
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78 | Point[0]->AddLine(this); //Taken out, to check whether we can avoid unwanted double adding.
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79 | Point[1]->AddLine(this); //
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80 | // clear triangles list
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81 | TrianglesCount = 0;
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82 | cout << Verbose(5) << "New Line with endpoints " << *this << "." << endl;
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83 | }
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84 | ;
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85 |
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86 | BoundaryLineSet::~BoundaryLineSet()
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87 | {
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88 | int Numbers[2];
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89 | Numbers[0] = endpoints[1]->Nr;
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90 | Numbers[1] = endpoints[0]->Nr;
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91 | for (int i = 0; i < 2; i++) {
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92 | cout << Verbose(5) << "Erasing Line Nr. " << Nr << " in boundary point " << *endpoints[i] << "." << endl;
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93 | // as there may be multiple lines with same endpoints, we have to go through each and find in the endpoint's line list this line set
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94 | pair<LineMap::iterator, LineMap::iterator> erasor = endpoints[i]->lines.equal_range(Numbers[i]);
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95 | for (LineMap::iterator Runner = erasor.first; Runner != erasor.second; Runner++)
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96 | if ((*Runner).second == this) {
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97 | endpoints[i]->lines.erase(Runner);
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98 | break;
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99 | }
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100 | if (endpoints[i]->lines.empty()) {
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101 | cout << Verbose(5) << *endpoints[i] << " has no more lines it's attached to, erasing." << endl;
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102 | if (endpoints[i] != NULL) {
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103 | delete(endpoints[i]);
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104 | endpoints[i] = NULL;
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105 | } else
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106 | cerr << "ERROR: Endpoint " << i << " has already been free'd." << endl;
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107 | } else
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108 | cout << Verbose(5) << *endpoints[i] << " has still lines it's attached to." << endl;
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109 | }
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110 | if (!triangles.empty())
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111 | cerr << "WARNING: Memory Leak! I " << *this << " am still connected to some triangles." << endl;
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112 | }
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113 | ;
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114 |
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115 | void
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116 | BoundaryLineSet::AddTriangle(class BoundaryTriangleSet *triangle)
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117 | {
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118 | cout << Verbose(6) << "Add " << triangle->Nr << " to line " << *this << "."
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119 | << endl;
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120 | triangles.insert(TrianglePair(triangle->Nr, triangle));
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121 | TrianglesCount++;
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122 | }
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123 | ;
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124 |
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125 | /** Checks whether we have a common endpoint with given \a *line.
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126 | * \param *line other line to test
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127 | * \return true - common endpoint present, false - not connected
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128 | */
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129 | bool BoundaryLineSet::IsConnectedTo(class BoundaryLineSet *line)
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130 | {
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131 | if ((endpoints[0] == line->endpoints[0]) || (endpoints[1] == line->endpoints[0]) || (endpoints[0] == line->endpoints[1]) || (endpoints[1] == line->endpoints[1]))
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132 | return true;
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133 | else
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134 | return false;
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135 | };
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136 |
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137 | /** Checks whether the adjacent triangles of a baseline are convex or not.
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138 | * We sum the two angles of each normal vector with a ficticious normnal vector from this baselinbe pointing outwards.
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139 | * If greater/equal M_PI than we are convex.
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140 | * \param *out output stream for debugging
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141 | * \return true - triangles are convex, false - concave or less than two triangles connected
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142 | */
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143 | bool BoundaryLineSet::CheckConvexityCriterion(ofstream *out)
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144 | {
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145 | Vector BaseLineNormal;
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146 | double angle = 0;
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147 | // get the two triangles
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148 | if (TrianglesCount != 2) {
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149 | *out << Verbose(1) << "ERROR: Baseline " << this << " is connect to less than two triangles, Tesselation incomplete!" << endl;
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150 | return false;
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151 | }
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152 | // have a normal vector on the base line pointing outwards
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153 | BaseLineNormal.Zero();
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154 | for(TriangleMap::iterator runner = triangles.begin(); runner != triangles.end(); runner++)
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155 | BaseLineNormal.AddVector(&runner->second->NormalVector);
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156 | BaseLineNormal.Normalize();
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157 | // and calculate the sum of the angles with this normal vector and each of the triangle ones'
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158 | for(TriangleMap::iterator runner = triangles.begin(); runner != triangles.end(); runner++)
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159 | angle += BaseLineNormal.Angle(&runner->second->NormalVector);
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160 |
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161 | if ((angle - M_PI) > -MYEPSILON)
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162 | return true;
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163 | else
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164 | return false;
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165 | }
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166 |
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167 | /** Checks whether point is any of the two endpoints this line contains.
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168 | * \param *point point to test
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169 | * \return true - point is of the line, false - is not
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170 | */
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171 | bool BoundaryLineSet::ContainsBoundaryPoint(class BoundaryPointSet *point)
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172 | {
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173 | for(int i=0;i<2;i++)
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174 | if (point == endpoints[i])
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175 | return true;
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176 | return false;
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177 | };
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178 |
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179 | ostream &
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180 | operator <<(ostream &ost, BoundaryLineSet &a)
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181 | {
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182 | ost << "[" << a.Nr << "|" << a.endpoints[0]->node->Name << "," << a.endpoints[1]->node->Name << "]";
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183 | return ost;
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184 | }
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185 | ;
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186 |
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187 | // ======================================== Triangles on Boundary =================================
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188 |
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189 |
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190 | BoundaryTriangleSet::BoundaryTriangleSet()
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191 | {
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192 | for (int i = 0; i < 3; i++)
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193 | {
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194 | endpoints[i] = NULL;
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195 | lines[i] = NULL;
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196 | }
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197 | Nr = -1;
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198 | }
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199 | ;
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200 |
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201 | BoundaryTriangleSet::BoundaryTriangleSet(class BoundaryLineSet *line[3], int number)
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202 | {
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203 | // set number
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204 | Nr = number;
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205 | // set lines
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206 | cout << Verbose(5) << "New triangle " << Nr << ":" << endl;
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207 | for (int i = 0; i < 3; i++)
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208 | {
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209 | lines[i] = line[i];
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210 | lines[i]->AddTriangle(this);
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211 | }
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212 | // get ascending order of endpoints
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213 | map<int, class BoundaryPointSet *> OrderMap;
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214 | for (int i = 0; i < 3; i++)
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215 | // for all three lines
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216 | for (int j = 0; j < 2; j++)
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217 | { // for both endpoints
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218 | OrderMap.insert(pair<int, class BoundaryPointSet *> (
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219 | line[i]->endpoints[j]->Nr, line[i]->endpoints[j]));
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220 | // and we don't care whether insertion fails
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221 | }
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222 | // set endpoints
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223 | int Counter = 0;
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224 | cout << Verbose(6) << " with end points ";
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225 | for (map<int, class BoundaryPointSet *>::iterator runner = OrderMap.begin(); runner
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226 | != OrderMap.end(); runner++)
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227 | {
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228 | endpoints[Counter] = runner->second;
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229 | cout << " " << *endpoints[Counter];
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230 | Counter++;
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231 | }
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232 | if (Counter < 3)
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233 | {
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234 | cerr << "ERROR! We have a triangle with only two distinct endpoints!"
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235 | << endl;
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236 | //exit(1);
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237 | }
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238 | cout << "." << endl;
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239 | }
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240 | ;
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241 |
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242 | BoundaryTriangleSet::~BoundaryTriangleSet()
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243 | {
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244 | for (int i = 0; i < 3; i++) {
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245 | cout << Verbose(5) << "Erasing triangle Nr." << Nr << endl;
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246 | lines[i]->triangles.erase(Nr);
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247 | if (lines[i]->triangles.empty()) {
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248 | if (lines[i] != NULL) {
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249 | cout << Verbose(5) << *lines[i] << " is no more attached to any triangle, erasing." << endl;
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250 | delete (lines[i]);
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251 | lines[i] = NULL;
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252 | } else
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253 | cerr << "ERROR: This line " << i << " has already been free'd." << endl;
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254 | } else
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255 | cout << Verbose(5) << *lines[i] << " is still attached to another triangle." << endl;
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256 | }
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257 | }
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258 | ;
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259 |
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260 | /** Calculates the normal vector for this triangle.
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261 | * Is made unique by comparison with \a OtherVector to point in the other direction.
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262 | * \param &OtherVector direction vector to make normal vector unique.
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263 | */
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264 | void BoundaryTriangleSet::GetNormalVector(Vector &OtherVector)
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265 | {
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266 | // get normal vector
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267 | NormalVector.MakeNormalVector(endpoints[0]->node->node, endpoints[1]->node->node, endpoints[2]->node->node);
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268 |
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269 | // make it always point inward (any offset vector onto plane projected onto normal vector suffices)
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270 | if (NormalVector.Projection(&OtherVector) > 0)
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271 | NormalVector.Scale(-1.);
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272 | };
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273 |
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274 | /** Finds the point on the triangle \a *BTS the line defined by \a *MolCenter and \a *x crosses through.
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275 | * We call Vector::GetIntersectionWithPlane() to receive the intersection point with the plane
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276 | * This we test if it's really on the plane and whether it's inside the triangle on the plane or not.
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277 | * The latter is done as follows: if it's really outside, then for any endpoint of the triangle and it's opposite
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278 | * base line, the intersection between the line from endpoint to intersection and the base line will have a Vector::NormSquared()
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279 | * smaller than the first line.
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280 | * \param *out output stream for debugging
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281 | * \param *MolCenter offset vector of line
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282 | * \param *x second endpoint of line, minus \a *MolCenter is directional vector of line
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283 | * \param *Intersection intersection on plane on return
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284 | * \return true - \a *Intersection contains intersection on plane defined by triangle, false - zero vector if outside of triangle.
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285 | */
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286 | bool BoundaryTriangleSet::GetIntersectionInsideTriangle(ofstream *out, Vector *MolCenter, Vector *x, Vector *Intersection)
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287 | {
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288 | Vector CrossPoint;
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289 | Vector helper;
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290 | int i=0;
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291 |
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292 | if (Intersection->GetIntersectionWithPlane(out, &NormalVector, endpoints[0]->node->node, MolCenter, x)) {
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293 | *out << Verbose(1) << "Alas! [Bronstein] failed - at least numerically - the intersection is not on the plane!" << endl;
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294 | return false;
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295 | }
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296 |
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297 | // Calculate cross point between one baseline and the line from the third endpoint to intersection
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298 | do {
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299 | CrossPoint.GetIntersectionOfTwoLinesOnPlane(out, endpoints[i%3]->node->node, endpoints[(i+1)%3]->node->node, endpoints[(i+2)%3]->node->node, Intersection);
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300 | helper.CopyVector(endpoints[(i+1)%3]->node->node);
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301 | helper.SubtractVector(endpoints[i%3]->node->node);
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302 | i++;
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303 | if (i>3)
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304 | break;
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305 | } while (CrossPoint.NormSquared() < MYEPSILON);
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306 | if (i>3) {
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307 | *out << Verbose(1) << "ERROR: Could not find any cross points, something's utterly wrong here!" << endl;
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308 | exit(255);
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309 | }
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310 | CrossPoint.SubtractVector(endpoints[i%3]->node->node);
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311 |
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312 | // check whether intersection is inside or not by comparing length of intersection and length of cross point
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313 | if ((CrossPoint.NormSquared() - helper.NormSquared()) > -MYEPSILON) { // inside
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314 | return true;
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315 | } else { // outside!
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316 | Intersection->Zero();
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317 | return false;
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318 | }
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319 | };
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320 |
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321 | /** Checks whether lines is any of the three boundary lines this triangle contains.
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322 | * \param *line line to test
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323 | * \return true - line is of the triangle, false - is not
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324 | */
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325 | bool BoundaryTriangleSet::ContainsBoundaryLine(class BoundaryLineSet *line)
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326 | {
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327 | for(int i=0;i<3;i++)
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328 | if (line == lines[i])
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329 | return true;
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330 | return false;
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331 | };
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332 |
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333 | /** Checks whether point is any of the three endpoints this triangle contains.
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334 | * \param *point point to test
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335 | * \return true - point is of the triangle, false - is not
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336 | */
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337 | bool BoundaryTriangleSet::ContainsBoundaryPoint(class BoundaryPointSet *point)
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338 | {
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339 | for(int i=0;i<3;i++)
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340 | if (point == endpoints[i])
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341 | return true;
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342 | return false;
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343 | };
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344 |
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345 | /** Checks whether three given \a *Points coincide with triangle's endpoints.
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346 | * \param *Points[3] pointer to BoundaryPointSet
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347 | * \return true - is the very triangle, false - is not
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348 | */
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349 | bool BoundaryTriangleSet::IsPresentTupel(class BoundaryPointSet *Points[3])
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350 | {
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351 | return (((endpoints[0] == Points[0])
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352 | || (endpoints[0] == Points[1])
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353 | || (endpoints[0] == Points[2])
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354 | ) && (
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355 | (endpoints[1] == Points[0])
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356 | || (endpoints[1] == Points[1])
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357 | || (endpoints[1] == Points[2])
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358 | ) && (
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359 | (endpoints[2] == Points[0])
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360 | || (endpoints[2] == Points[1])
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361 | || (endpoints[2] == Points[2])
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362 | ));
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363 | };
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364 |
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365 | ostream &
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366 | operator <<(ostream &ost, BoundaryTriangleSet &a)
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367 | {
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368 | ost << "[" << a.Nr << "|" << a.endpoints[0]->node->Name << ","
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369 | << a.endpoints[1]->node->Name << "," << a.endpoints[2]->node->Name << "]";
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370 | return ost;
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371 | }
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372 | ;
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373 |
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374 | // =========================================================== class TESSELPOINT ===========================================
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375 |
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376 | /** Constructor of class TesselPoint.
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377 | */
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378 | TesselPoint::TesselPoint()
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379 | {
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380 | node = NULL;
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381 | nr = -1;
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382 | Name = NULL;
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383 | };
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384 |
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385 | /** Destructor for class TesselPoint.
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386 | */
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387 | TesselPoint::~TesselPoint()
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388 | {
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389 | Free((void **)&Name, "TesselPoint::~TesselPoint: *Name");
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390 | };
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391 |
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392 | /** Prints LCNode to screen.
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393 | */
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394 | ostream & operator << (ostream &ost, const TesselPoint &a)
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395 | {
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396 | ost << "[" << (a.Name) << "|" << &a << "]";
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397 | return ost;
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398 | };
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399 |
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400 |
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401 | // =========================================================== class POINTCLOUD ============================================
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402 |
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403 | /** Constructor of class PointCloud.
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404 | */
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405 | PointCloud::PointCloud()
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406 | {
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407 |
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408 | };
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409 |
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410 | /** Destructor for class PointCloud.
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411 | */
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412 | PointCloud::~PointCloud()
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413 | {
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414 |
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415 | };
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416 |
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417 | // ============================ CandidateForTesselation =============================
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418 |
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419 | /** Constructor of class CandidateForTesselation.
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420 | */
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421 | CandidateForTesselation::CandidateForTesselation(TesselPoint *candidate, BoundaryLineSet* line, Vector OptCandidateCenter, Vector OtherOptCandidateCenter) {
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422 | point = candidate;
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423 | BaseLine = line;
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424 | OptCenter.CopyVector(&OptCandidateCenter);
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425 | OtherOptCenter.CopyVector(&OtherOptCandidateCenter);
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426 | };
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427 |
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428 | /** Destructor for class CandidateForTesselation.
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429 | */
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430 | CandidateForTesselation::~CandidateForTesselation() {
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431 | point = NULL;
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432 | BaseLine = NULL;
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433 | };
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434 |
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435 | // =========================================================== class TESSELATION ===========================================
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436 |
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437 | /** Constructor of class Tesselation.
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438 | */
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439 | Tesselation::Tesselation()
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440 | {
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441 | PointsOnBoundaryCount = 0;
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442 | LinesOnBoundaryCount = 0;
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443 | TrianglesOnBoundaryCount = 0;
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444 | }
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445 | ;
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446 |
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447 | /** Destructor of class Tesselation.
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448 | * We have to free all points, lines and triangles.
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449 | */
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450 | Tesselation::~Tesselation()
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451 | {
|
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452 | cout << Verbose(1) << "Free'ing TesselStruct ... " << endl;
|
---|
453 | for (TriangleMap::iterator runner = TrianglesOnBoundary.begin(); runner != TrianglesOnBoundary.end(); runner++) {
|
---|
454 | if (runner->second != NULL) {
|
---|
455 | delete (runner->second);
|
---|
456 | runner->second = NULL;
|
---|
457 | } else
|
---|
458 | cerr << "ERROR: The triangle " << runner->first << " has already been free'd." << endl;
|
---|
459 | }
|
---|
460 | }
|
---|
461 | ;
|
---|
462 |
|
---|
463 | /** Gueses first starting triangle of the convex envelope.
|
---|
464 | * We guess the starting triangle by taking the smallest distance between two points and looking for a fitting third.
|
---|
465 | * \param *out output stream for debugging
|
---|
466 | * \param PointsOnBoundary set of boundary points defining the convex envelope of the cluster
|
---|
467 | */
|
---|
468 | void
|
---|
469 | Tesselation::GuessStartingTriangle(ofstream *out)
|
---|
470 | {
|
---|
471 | // 4b. create a starting triangle
|
---|
472 | // 4b1. create all distances
|
---|
473 | DistanceMultiMap DistanceMMap;
|
---|
474 | double distance, tmp;
|
---|
475 | Vector PlaneVector, TrialVector;
|
---|
476 | PointMap::iterator A, B, C; // three nodes of the first triangle
|
---|
477 | A = PointsOnBoundary.begin(); // the first may be chosen arbitrarily
|
---|
478 |
|
---|
479 | // with A chosen, take each pair B,C and sort
|
---|
480 | if (A != PointsOnBoundary.end())
|
---|
481 | {
|
---|
482 | B = A;
|
---|
483 | B++;
|
---|
484 | for (; B != PointsOnBoundary.end(); B++)
|
---|
485 | {
|
---|
486 | C = B;
|
---|
487 | C++;
|
---|
488 | for (; C != PointsOnBoundary.end(); C++)
|
---|
489 | {
|
---|
490 | tmp = A->second->node->node->DistanceSquared(B->second->node->node);
|
---|
491 | distance = tmp * tmp;
|
---|
492 | tmp = A->second->node->node->DistanceSquared(C->second->node->node);
|
---|
493 | distance += tmp * tmp;
|
---|
494 | tmp = B->second->node->node->DistanceSquared(C->second->node->node);
|
---|
495 | distance += tmp * tmp;
|
---|
496 | DistanceMMap.insert(DistanceMultiMapPair(distance, pair<PointMap::iterator, PointMap::iterator> (B, C)));
|
---|
497 | }
|
---|
498 | }
|
---|
499 | }
|
---|
500 | // // listing distances
|
---|
501 | // *out << Verbose(1) << "Listing DistanceMMap:";
|
---|
502 | // for(DistanceMultiMap::iterator runner = DistanceMMap.begin(); runner != DistanceMMap.end(); runner++) {
|
---|
503 | // *out << " " << runner->first << "(" << *runner->second.first->second << ", " << *runner->second.second->second << ")";
|
---|
504 | // }
|
---|
505 | // *out << endl;
|
---|
506 | // 4b2. pick three baselines forming a triangle
|
---|
507 | // 1. we take from the smallest sum of squared distance as the base line BC (with peak A) onward as the triangle candidate
|
---|
508 | DistanceMultiMap::iterator baseline = DistanceMMap.begin();
|
---|
509 | for (; baseline != DistanceMMap.end(); baseline++)
|
---|
510 | {
|
---|
511 | // we take from the smallest sum of squared distance as the base line BC (with peak A) onward as the triangle candidate
|
---|
512 | // 2. next, we have to check whether all points reside on only one side of the triangle
|
---|
513 | // 3. construct plane vector
|
---|
514 | PlaneVector.MakeNormalVector(A->second->node->node,
|
---|
515 | baseline->second.first->second->node->node,
|
---|
516 | baseline->second.second->second->node->node);
|
---|
517 | *out << Verbose(2) << "Plane vector of candidate triangle is ";
|
---|
518 | PlaneVector.Output(out);
|
---|
519 | *out << endl;
|
---|
520 | // 4. loop over all points
|
---|
521 | double sign = 0.;
|
---|
522 | PointMap::iterator checker = PointsOnBoundary.begin();
|
---|
523 | for (; checker != PointsOnBoundary.end(); checker++)
|
---|
524 | {
|
---|
525 | // (neglecting A,B,C)
|
---|
526 | if ((checker == A) || (checker == baseline->second.first) || (checker
|
---|
527 | == baseline->second.second))
|
---|
528 | continue;
|
---|
529 | // 4a. project onto plane vector
|
---|
530 | TrialVector.CopyVector(checker->second->node->node);
|
---|
531 | TrialVector.SubtractVector(A->second->node->node);
|
---|
532 | distance = TrialVector.Projection(&PlaneVector);
|
---|
533 | if (fabs(distance) < 1e-4) // we need to have a small epsilon around 0 which is still ok
|
---|
534 | continue;
|
---|
535 | *out << Verbose(3) << "Projection of " << checker->second->node->Name
|
---|
536 | << " yields distance of " << distance << "." << endl;
|
---|
537 | tmp = distance / fabs(distance);
|
---|
538 | // 4b. Any have different sign to than before? (i.e. would lie outside convex hull with this starting triangle)
|
---|
539 | if ((sign != 0) && (tmp != sign))
|
---|
540 | {
|
---|
541 | // 4c. If so, break 4. loop and continue with next candidate in 1. loop
|
---|
542 | *out << Verbose(2) << "Current candidates: "
|
---|
543 | << A->second->node->Name << ","
|
---|
544 | << baseline->second.first->second->node->Name << ","
|
---|
545 | << baseline->second.second->second->node->Name << " leaves "
|
---|
546 | << checker->second->node->Name << " outside the convex hull."
|
---|
547 | << endl;
|
---|
548 | break;
|
---|
549 | }
|
---|
550 | else
|
---|
551 | { // note the sign for later
|
---|
552 | *out << Verbose(2) << "Current candidates: "
|
---|
553 | << A->second->node->Name << ","
|
---|
554 | << baseline->second.first->second->node->Name << ","
|
---|
555 | << baseline->second.second->second->node->Name << " leave "
|
---|
556 | << checker->second->node->Name << " inside the convex hull."
|
---|
557 | << endl;
|
---|
558 | sign = tmp;
|
---|
559 | }
|
---|
560 | // 4d. Check whether the point is inside the triangle (check distance to each node
|
---|
561 | tmp = checker->second->node->node->DistanceSquared(A->second->node->node);
|
---|
562 | int innerpoint = 0;
|
---|
563 | if ((tmp < A->second->node->node->DistanceSquared(
|
---|
564 | baseline->second.first->second->node->node)) && (tmp
|
---|
565 | < A->second->node->node->DistanceSquared(
|
---|
566 | baseline->second.second->second->node->node)))
|
---|
567 | innerpoint++;
|
---|
568 | tmp = checker->second->node->node->DistanceSquared(
|
---|
569 | baseline->second.first->second->node->node);
|
---|
570 | if ((tmp < baseline->second.first->second->node->node->DistanceSquared(
|
---|
571 | A->second->node->node)) && (tmp
|
---|
572 | < baseline->second.first->second->node->node->DistanceSquared(
|
---|
573 | baseline->second.second->second->node->node)))
|
---|
574 | innerpoint++;
|
---|
575 | tmp = checker->second->node->node->DistanceSquared(
|
---|
576 | baseline->second.second->second->node->node);
|
---|
577 | if ((tmp < baseline->second.second->second->node->node->DistanceSquared(
|
---|
578 | baseline->second.first->second->node->node)) && (tmp
|
---|
579 | < baseline->second.second->second->node->node->DistanceSquared(
|
---|
580 | A->second->node->node)))
|
---|
581 | innerpoint++;
|
---|
582 | // 4e. If so, break 4. loop and continue with next candidate in 1. loop
|
---|
583 | if (innerpoint == 3)
|
---|
584 | break;
|
---|
585 | }
|
---|
586 | // 5. come this far, all on same side? Then break 1. loop and construct triangle
|
---|
587 | if (checker == PointsOnBoundary.end())
|
---|
588 | {
|
---|
589 | *out << "Looks like we have a candidate!" << endl;
|
---|
590 | break;
|
---|
591 | }
|
---|
592 | }
|
---|
593 | if (baseline != DistanceMMap.end())
|
---|
594 | {
|
---|
595 | BPS[0] = baseline->second.first->second;
|
---|
596 | BPS[1] = baseline->second.second->second;
|
---|
597 | BLS[0] = new class BoundaryLineSet(BPS, LinesOnBoundaryCount);
|
---|
598 | BPS[0] = A->second;
|
---|
599 | BPS[1] = baseline->second.second->second;
|
---|
600 | BLS[1] = new class BoundaryLineSet(BPS, LinesOnBoundaryCount);
|
---|
601 | BPS[0] = baseline->second.first->second;
|
---|
602 | BPS[1] = A->second;
|
---|
603 | BLS[2] = new class BoundaryLineSet(BPS, LinesOnBoundaryCount);
|
---|
604 |
|
---|
605 | // 4b3. insert created triangle
|
---|
606 | BTS = new class BoundaryTriangleSet(BLS, TrianglesOnBoundaryCount);
|
---|
607 | TrianglesOnBoundary.insert(TrianglePair(TrianglesOnBoundaryCount, BTS));
|
---|
608 | TrianglesOnBoundaryCount++;
|
---|
609 | for (int i = 0; i < NDIM; i++)
|
---|
610 | {
|
---|
611 | LinesOnBoundary.insert(LinePair(LinesOnBoundaryCount, BTS->lines[i]));
|
---|
612 | LinesOnBoundaryCount++;
|
---|
613 | }
|
---|
614 |
|
---|
615 | *out << Verbose(1) << "Starting triangle is " << *BTS << "." << endl;
|
---|
616 | }
|
---|
617 | else
|
---|
618 | {
|
---|
619 | *out << Verbose(1) << "No starting triangle found." << endl;
|
---|
620 | exit(255);
|
---|
621 | }
|
---|
622 | }
|
---|
623 | ;
|
---|
624 |
|
---|
625 | /** Tesselates the convex envelope of a cluster from a single starting triangle.
|
---|
626 | * The starting triangle is made out of three baselines. Each line in the final tesselated cluster may belong to at most
|
---|
627 | * 2 triangles. Hence, we go through all current lines:
|
---|
628 | * -# if the lines contains to only one triangle
|
---|
629 | * -# We search all points in the boundary
|
---|
630 | * -# if the triangle is in forward direction of the baseline (at most 90 degrees angle between vector orthogonal to
|
---|
631 | * baseline in triangle plane pointing out of the triangle and normal vector of new triangle)
|
---|
632 | * -# if the triangle with the baseline and the current point has the smallest of angles (comparison between normal vectors)
|
---|
633 | * -# then we have a new triangle, whose baselines we again add (or increase their TriangleCount)
|
---|
634 | * \param *out output stream for debugging
|
---|
635 | * \param *configuration for IsAngstroem
|
---|
636 | * \param *cloud cluster of points
|
---|
637 | */
|
---|
638 | void Tesselation::TesselateOnBoundary(ofstream *out, PointCloud *cloud)
|
---|
639 | {
|
---|
640 | bool flag;
|
---|
641 | PointMap::iterator winner;
|
---|
642 | class BoundaryPointSet *peak = NULL;
|
---|
643 | double SmallestAngle, TempAngle;
|
---|
644 | Vector NormalVector, VirtualNormalVector, CenterVector, TempVector, helper, PropagationVector, *Center = NULL;
|
---|
645 | LineMap::iterator LineChecker[2];
|
---|
646 |
|
---|
647 | Center = cloud->GetCenter(out);
|
---|
648 | // create a first tesselation with the given BoundaryPoints
|
---|
649 | do {
|
---|
650 | flag = false;
|
---|
651 | for (LineMap::iterator baseline = LinesOnBoundary.begin(); baseline != LinesOnBoundary.end(); baseline++)
|
---|
652 | if (baseline->second->TrianglesCount == 1) {
|
---|
653 | // 5a. go through each boundary point if not _both_ edges between either endpoint of the current line and this point exist (and belong to 2 triangles)
|
---|
654 | SmallestAngle = M_PI;
|
---|
655 |
|
---|
656 | // get peak point with respect to this base line's only triangle
|
---|
657 | BTS = baseline->second->triangles.begin()->second; // there is only one triangle so far
|
---|
658 | *out << Verbose(2) << "Current baseline is between " << *(baseline->second) << "." << endl;
|
---|
659 | for (int i = 0; i < 3; i++)
|
---|
660 | if ((BTS->endpoints[i] != baseline->second->endpoints[0]) && (BTS->endpoints[i] != baseline->second->endpoints[1]))
|
---|
661 | peak = BTS->endpoints[i];
|
---|
662 | *out << Verbose(3) << " and has peak " << *peak << "." << endl;
|
---|
663 |
|
---|
664 | // prepare some auxiliary vectors
|
---|
665 | Vector BaseLineCenter, BaseLine;
|
---|
666 | BaseLineCenter.CopyVector(baseline->second->endpoints[0]->node->node);
|
---|
667 | BaseLineCenter.AddVector(baseline->second->endpoints[1]->node->node);
|
---|
668 | BaseLineCenter.Scale(1. / 2.); // points now to center of base line
|
---|
669 | BaseLine.CopyVector(baseline->second->endpoints[0]->node->node);
|
---|
670 | BaseLine.SubtractVector(baseline->second->endpoints[1]->node->node);
|
---|
671 |
|
---|
672 | // offset to center of triangle
|
---|
673 | CenterVector.Zero();
|
---|
674 | for (int i = 0; i < 3; i++)
|
---|
675 | CenterVector.AddVector(BTS->endpoints[i]->node->node);
|
---|
676 | CenterVector.Scale(1. / 3.);
|
---|
677 | *out << Verbose(4) << "CenterVector of base triangle is " << CenterVector << endl;
|
---|
678 |
|
---|
679 | // normal vector of triangle
|
---|
680 | NormalVector.CopyVector(Center);
|
---|
681 | NormalVector.SubtractVector(&CenterVector);
|
---|
682 | BTS->GetNormalVector(NormalVector);
|
---|
683 | NormalVector.CopyVector(&BTS->NormalVector);
|
---|
684 | *out << Verbose(4) << "NormalVector of base triangle is " << NormalVector << endl;
|
---|
685 |
|
---|
686 | // vector in propagation direction (out of triangle)
|
---|
687 | // project center vector onto triangle plane (points from intersection plane-NormalVector to plane-CenterVector intersection)
|
---|
688 | PropagationVector.MakeNormalVector(&BaseLine, &NormalVector);
|
---|
689 | TempVector.CopyVector(&CenterVector);
|
---|
690 | TempVector.SubtractVector(baseline->second->endpoints[0]->node->node); // TempVector is vector on triangle plane pointing from one baseline egde towards center!
|
---|
691 | //*out << Verbose(2) << "Projection of propagation onto temp: " << PropagationVector.Projection(&TempVector) << "." << endl;
|
---|
692 | if (PropagationVector.Projection(&TempVector) > 0) // make sure normal propagation vector points outward from baseline
|
---|
693 | PropagationVector.Scale(-1.);
|
---|
694 | *out << Verbose(4) << "PropagationVector of base triangle is " << PropagationVector << endl;
|
---|
695 | winner = PointsOnBoundary.end();
|
---|
696 |
|
---|
697 | // loop over all points and calculate angle between normal vector of new and present triangle
|
---|
698 | for (PointMap::iterator target = PointsOnBoundary.begin(); target != PointsOnBoundary.end(); target++) {
|
---|
699 | if ((target->second != baseline->second->endpoints[0]) && (target->second != baseline->second->endpoints[1])) { // don't take the same endpoints
|
---|
700 | *out << Verbose(3) << "Target point is " << *(target->second) << ":" << endl;
|
---|
701 |
|
---|
702 | // first check direction, so that triangles don't intersect
|
---|
703 | VirtualNormalVector.CopyVector(target->second->node->node);
|
---|
704 | VirtualNormalVector.SubtractVector(&BaseLineCenter); // points from center of base line to target
|
---|
705 | VirtualNormalVector.ProjectOntoPlane(&NormalVector);
|
---|
706 | TempAngle = VirtualNormalVector.Angle(&PropagationVector);
|
---|
707 | *out << Verbose(4) << "VirtualNormalVector is " << VirtualNormalVector << " and PropagationVector is " << PropagationVector << "." << endl;
|
---|
708 | if (TempAngle > (M_PI/2.)) { // no bends bigger than Pi/2 (90 degrees)
|
---|
709 | *out << Verbose(4) << "Angle on triangle plane between propagation direction and base line to " << *(target->second) << " is " << TempAngle << ", bad direction!" << endl;
|
---|
710 | continue;
|
---|
711 | } else
|
---|
712 | *out << Verbose(4) << "Angle on triangle plane between propagation direction and base line to " << *(target->second) << " is " << TempAngle << ", good direction!" << endl;
|
---|
713 |
|
---|
714 | // check first and second endpoint (if any connecting line goes to target has at least not more than 1 triangle)
|
---|
715 | LineChecker[0] = baseline->second->endpoints[0]->lines.find(target->first);
|
---|
716 | LineChecker[1] = baseline->second->endpoints[1]->lines.find(target->first);
|
---|
717 | if (((LineChecker[0] != baseline->second->endpoints[0]->lines.end()) && (LineChecker[0]->second->TrianglesCount == 2))) {
|
---|
718 | *out << Verbose(4) << *(baseline->second->endpoints[0]) << " has line " << *(LineChecker[0]->second) << " to " << *(target->second) << " as endpoint with " << LineChecker[0]->second->TrianglesCount << " triangles." << endl;
|
---|
719 | continue;
|
---|
720 | }
|
---|
721 | if (((LineChecker[1] != baseline->second->endpoints[1]->lines.end()) && (LineChecker[1]->second->TrianglesCount == 2))) {
|
---|
722 | *out << Verbose(4) << *(baseline->second->endpoints[1]) << " has line " << *(LineChecker[1]->second) << " to " << *(target->second) << " as endpoint with " << LineChecker[1]->second->TrianglesCount << " triangles." << endl;
|
---|
723 | continue;
|
---|
724 | }
|
---|
725 |
|
---|
726 | // check whether the envisaged triangle does not already exist (if both lines exist and have same endpoint)
|
---|
727 | if ((((LineChecker[0] != baseline->second->endpoints[0]->lines.end()) && (LineChecker[1] != baseline->second->endpoints[1]->lines.end()) && (GetCommonEndpoint(LineChecker[0]->second, LineChecker[1]->second) == peak)))) {
|
---|
728 | *out << Verbose(4) << "Current target is peak!" << endl;
|
---|
729 | continue;
|
---|
730 | }
|
---|
731 |
|
---|
732 | // check for linear dependence
|
---|
733 | TempVector.CopyVector(baseline->second->endpoints[0]->node->node);
|
---|
734 | TempVector.SubtractVector(target->second->node->node);
|
---|
735 | helper.CopyVector(baseline->second->endpoints[1]->node->node);
|
---|
736 | helper.SubtractVector(target->second->node->node);
|
---|
737 | helper.ProjectOntoPlane(&TempVector);
|
---|
738 | if (fabs(helper.NormSquared()) < MYEPSILON) {
|
---|
739 | *out << Verbose(4) << "Chosen set of vectors is linear dependent." << endl;
|
---|
740 | continue;
|
---|
741 | }
|
---|
742 |
|
---|
743 | // in case NOT both were found, create virtually this triangle, get its normal vector, calculate angle
|
---|
744 | flag = true;
|
---|
745 | VirtualNormalVector.MakeNormalVector(baseline->second->endpoints[0]->node->node, baseline->second->endpoints[1]->node->node, target->second->node->node);
|
---|
746 | TempVector.CopyVector(baseline->second->endpoints[0]->node->node);
|
---|
747 | TempVector.AddVector(baseline->second->endpoints[1]->node->node);
|
---|
748 | TempVector.AddVector(target->second->node->node);
|
---|
749 | TempVector.Scale(1./3.);
|
---|
750 | TempVector.SubtractVector(Center);
|
---|
751 | // make it always point outward
|
---|
752 | if (VirtualNormalVector.Projection(&TempVector) < 0)
|
---|
753 | VirtualNormalVector.Scale(-1.);
|
---|
754 | // calculate angle
|
---|
755 | TempAngle = NormalVector.Angle(&VirtualNormalVector);
|
---|
756 | *out << Verbose(4) << "NormalVector is " << VirtualNormalVector << " and the angle is " << TempAngle << "." << endl;
|
---|
757 | if ((SmallestAngle - TempAngle) > MYEPSILON) { // set to new possible winner
|
---|
758 | SmallestAngle = TempAngle;
|
---|
759 | winner = target;
|
---|
760 | *out << Verbose(4) << "New winner " << *winner->second->node << " due to smaller angle between normal vectors." << endl;
|
---|
761 | } else if (fabs(SmallestAngle - TempAngle) < MYEPSILON) { // check the angle to propagation, both possible targets are in one plane! (their normals have same angle)
|
---|
762 | // hence, check the angles to some normal direction from our base line but in this common plane of both targets...
|
---|
763 | helper.CopyVector(target->second->node->node);
|
---|
764 | helper.SubtractVector(&BaseLineCenter);
|
---|
765 | helper.ProjectOntoPlane(&BaseLine);
|
---|
766 | // ...the one with the smaller angle is the better candidate
|
---|
767 | TempVector.CopyVector(target->second->node->node);
|
---|
768 | TempVector.SubtractVector(&BaseLineCenter);
|
---|
769 | TempVector.ProjectOntoPlane(&VirtualNormalVector);
|
---|
770 | TempAngle = TempVector.Angle(&helper);
|
---|
771 | TempVector.CopyVector(winner->second->node->node);
|
---|
772 | TempVector.SubtractVector(&BaseLineCenter);
|
---|
773 | TempVector.ProjectOntoPlane(&VirtualNormalVector);
|
---|
774 | if (TempAngle < TempVector.Angle(&helper)) {
|
---|
775 | TempAngle = NormalVector.Angle(&VirtualNormalVector);
|
---|
776 | SmallestAngle = TempAngle;
|
---|
777 | winner = target;
|
---|
778 | *out << Verbose(4) << "New winner " << *winner->second->node << " due to smaller angle " << TempAngle << " to propagation direction." << endl;
|
---|
779 | } else
|
---|
780 | *out << Verbose(4) << "Keeping old winner " << *winner->second->node << " due to smaller angle to propagation direction." << endl;
|
---|
781 | } else
|
---|
782 | *out << Verbose(4) << "Keeping old winner " << *winner->second->node << " due to smaller angle between normal vectors." << endl;
|
---|
783 | }
|
---|
784 | } // end of loop over all boundary points
|
---|
785 |
|
---|
786 | // 5b. The point of the above whose triangle has the greatest angle with the triangle the current line belongs to (it only belongs to one, remember!): New triangle
|
---|
787 | if (winner != PointsOnBoundary.end()) {
|
---|
788 | *out << Verbose(2) << "Winning target point is " << *(winner->second) << " with angle " << SmallestAngle << "." << endl;
|
---|
789 | // create the lins of not yet present
|
---|
790 | BLS[0] = baseline->second;
|
---|
791 | // 5c. add lines to the line set if those were new (not yet part of a triangle), delete lines that belong to two triangles)
|
---|
792 | LineChecker[0] = baseline->second->endpoints[0]->lines.find(winner->first);
|
---|
793 | LineChecker[1] = baseline->second->endpoints[1]->lines.find(winner->first);
|
---|
794 | if (LineChecker[0] == baseline->second->endpoints[0]->lines.end()) { // create
|
---|
795 | BPS[0] = baseline->second->endpoints[0];
|
---|
796 | BPS[1] = winner->second;
|
---|
797 | BLS[1] = new class BoundaryLineSet(BPS, LinesOnBoundaryCount);
|
---|
798 | LinesOnBoundary.insert(LinePair(LinesOnBoundaryCount, BLS[1]));
|
---|
799 | LinesOnBoundaryCount++;
|
---|
800 | } else
|
---|
801 | BLS[1] = LineChecker[0]->second;
|
---|
802 | if (LineChecker[1] == baseline->second->endpoints[1]->lines.end()) { // create
|
---|
803 | BPS[0] = baseline->second->endpoints[1];
|
---|
804 | BPS[1] = winner->second;
|
---|
805 | BLS[2] = new class BoundaryLineSet(BPS, LinesOnBoundaryCount);
|
---|
806 | LinesOnBoundary.insert(LinePair(LinesOnBoundaryCount, BLS[2]));
|
---|
807 | LinesOnBoundaryCount++;
|
---|
808 | } else
|
---|
809 | BLS[2] = LineChecker[1]->second;
|
---|
810 | BTS = new class BoundaryTriangleSet(BLS, TrianglesOnBoundaryCount);
|
---|
811 | TrianglesOnBoundary.insert(TrianglePair(TrianglesOnBoundaryCount, BTS));
|
---|
812 | TrianglesOnBoundaryCount++;
|
---|
813 | } else {
|
---|
814 | *out << Verbose(1) << "I could not determine a winner for this baseline " << *(baseline->second) << "." << endl;
|
---|
815 | }
|
---|
816 |
|
---|
817 | // 5d. If the set of lines is not yet empty, go to 5. and continue
|
---|
818 | } else
|
---|
819 | *out << Verbose(2) << "Baseline candidate " << *(baseline->second) << " has a triangle count of " << baseline->second->TrianglesCount << "." << endl;
|
---|
820 | } while (flag);
|
---|
821 |
|
---|
822 | // exit
|
---|
823 | delete(Center);
|
---|
824 | };
|
---|
825 |
|
---|
826 | /** Inserts all atoms outside of the tesselated surface into it by adding new triangles.
|
---|
827 | * \param *out output stream for debugging
|
---|
828 | * \param *cloud cluster of points
|
---|
829 | * \return true - all straddling points insert, false - something went wrong
|
---|
830 | */
|
---|
831 | bool Tesselation::InsertStraddlingPoints(ofstream *out, PointCloud *cloud)
|
---|
832 | {
|
---|
833 | Vector Intersection;
|
---|
834 | TesselPoint *Walker = NULL;
|
---|
835 | Vector *Center = cloud->GetCenter(out);
|
---|
836 |
|
---|
837 | cloud->GoToFirst();
|
---|
838 | while (!cloud->IsLast()) { // we only have to go once through all points, as boundary can become only bigger
|
---|
839 | Walker = cloud->GetPoint();
|
---|
840 | // get the next triangle
|
---|
841 | BTS = FindClosestTriangleToPoint(out, Walker->node);
|
---|
842 | if (BTS == NULL) {
|
---|
843 | *out << Verbose(1) << "ERROR: No triangle closest to " << Walker << " was found." << endl;
|
---|
844 | return false;
|
---|
845 | }
|
---|
846 | // get the intersection point
|
---|
847 | if (BTS->GetIntersectionInsideTriangle(out, Center, Walker->node, &Intersection)) {
|
---|
848 | // we have the intersection, check whether in- or outside of boundary
|
---|
849 | if ((Center->DistanceSquared(Walker->node) - Center->DistanceSquared(&Intersection)) < -MYEPSILON) {
|
---|
850 | // inside, next!
|
---|
851 | *out << Verbose(4) << Walker << " is inside wrt triangle " << BTS << "." << endl;
|
---|
852 | } else {
|
---|
853 | // outside!
|
---|
854 | *out << Verbose(3) << Walker << " is outside wrt triangle " << BTS << "." << endl;
|
---|
855 | class BoundaryLineSet *OldLines[3], *NewLines[3];
|
---|
856 | class BoundaryPointSet *OldPoints[3], *NewPoint;
|
---|
857 | // store the three old lines and old points
|
---|
858 | for (int i=0;i<3;i++) {
|
---|
859 | OldLines[i] = BTS->lines[i];
|
---|
860 | OldPoints[i] = BTS->endpoints[i];
|
---|
861 | }
|
---|
862 | // add Walker to boundary points
|
---|
863 | AddPoint(Walker);
|
---|
864 | if (BPS[0] == NULL)
|
---|
865 | NewPoint = BPS[0];
|
---|
866 | else
|
---|
867 | continue;
|
---|
868 | // remove triangle
|
---|
869 | TrianglesOnBoundary.erase(BTS->Nr);
|
---|
870 | // create three new boundary lines
|
---|
871 | for (int i=0;i<3;i++) {
|
---|
872 | BPS[0] = NewPoint;
|
---|
873 | BPS[1] = OldPoints[i];
|
---|
874 | NewLines[i] = new class BoundaryLineSet(BPS, LinesOnBoundaryCount);
|
---|
875 | LinesOnBoundary.insert(LinePair(LinesOnBoundaryCount, NewLines[i])); // no need for check for unique insertion as BPS[0] is definitely a new one
|
---|
876 | LinesOnBoundaryCount++;
|
---|
877 | }
|
---|
878 | // create three new triangle with new point
|
---|
879 | for (int i=0;i<3;i++) { // find all baselines
|
---|
880 | BLS[0] = OldLines[i];
|
---|
881 | int n = 1;
|
---|
882 | for (int j=0;j<3;j++) {
|
---|
883 | if (NewLines[j]->IsConnectedTo(BLS[0])) {
|
---|
884 | if (n>2) {
|
---|
885 | *out << Verbose(1) << "ERROR: " << BLS[0] << " connects to all of the new lines?!" << endl;
|
---|
886 | return false;
|
---|
887 | } else
|
---|
888 | BLS[n++] = NewLines[j];
|
---|
889 | }
|
---|
890 | }
|
---|
891 | // create the triangle
|
---|
892 | BTS = new class BoundaryTriangleSet(BLS, TrianglesOnBoundaryCount);
|
---|
893 | TrianglesOnBoundary.insert(TrianglePair(TrianglesOnBoundaryCount, BTS));
|
---|
894 | TrianglesOnBoundaryCount++;
|
---|
895 | }
|
---|
896 | }
|
---|
897 | } else { // something is wrong with FindClosestTriangleToPoint!
|
---|
898 | *out << Verbose(1) << "ERROR: The closest triangle did not produce an intersection!" << endl;
|
---|
899 | return false;
|
---|
900 | }
|
---|
901 | cloud->GoToNext();
|
---|
902 | }
|
---|
903 |
|
---|
904 | // exit
|
---|
905 | delete(Center);
|
---|
906 | return true;
|
---|
907 | };
|
---|
908 |
|
---|
909 | /** Adds an atom to the tesselation::PointsOnBoundary list.
|
---|
910 | * \param *Walker atom to add
|
---|
911 | */
|
---|
912 | void
|
---|
913 | Tesselation::AddPoint(TesselPoint *Walker)
|
---|
914 | {
|
---|
915 | PointTestPair InsertUnique;
|
---|
916 | BPS[0] = new class BoundaryPointSet(Walker);
|
---|
917 | InsertUnique = PointsOnBoundary.insert(PointPair(Walker->nr, BPS[0]));
|
---|
918 | if (InsertUnique.second) // if new point was not present before, increase counter
|
---|
919 | PointsOnBoundaryCount++;
|
---|
920 | else {
|
---|
921 | delete(BPS[0]);
|
---|
922 | BPS[0] = NULL;
|
---|
923 | }
|
---|
924 | }
|
---|
925 | ;
|
---|
926 |
|
---|
927 | /** Adds point to Tesselation::PointsOnBoundary if not yet present.
|
---|
928 | * Tesselation::TPS is set to either this new BoundaryPointSet or to the existing one of not unique.
|
---|
929 | * @param Candidate point to add
|
---|
930 | * @param n index for this point in Tesselation::TPS array
|
---|
931 | */
|
---|
932 | void
|
---|
933 | Tesselation::AddTrianglePoint(TesselPoint* Candidate, int n)
|
---|
934 | {
|
---|
935 | PointTestPair InsertUnique;
|
---|
936 | TPS[n] = new class BoundaryPointSet(Candidate);
|
---|
937 | InsertUnique = PointsOnBoundary.insert(PointPair(Candidate->nr, TPS[n]));
|
---|
938 | if (InsertUnique.second) { // if new point was not present before, increase counter
|
---|
939 | PointsOnBoundaryCount++;
|
---|
940 | } else {
|
---|
941 | delete TPS[n];
|
---|
942 | cout << Verbose(3) << "Node " << *((InsertUnique.first)->second->node) << " is already present in PointsOnBoundary." << endl;
|
---|
943 | TPS[n] = (InsertUnique.first)->second;
|
---|
944 | }
|
---|
945 | }
|
---|
946 | ;
|
---|
947 |
|
---|
948 | /** Function tries to add line from current Points in BPS to BoundaryLineSet.
|
---|
949 | * If successful it raises the line count and inserts the new line into the BLS,
|
---|
950 | * if unsuccessful, it writes the line which had been present into the BLS, deleting the new constructed one.
|
---|
951 | * @param *a first endpoint
|
---|
952 | * @param *b second endpoint
|
---|
953 | * @param n index of Tesselation::BLS giving the line with both endpoints
|
---|
954 | */
|
---|
955 | void Tesselation::AddTriangleLine(class BoundaryPointSet *a, class BoundaryPointSet *b, int n) {
|
---|
956 | bool insertNewLine = true;
|
---|
957 |
|
---|
958 | if (a->lines.find(b->node->nr) != a->lines.end()) {
|
---|
959 | LineMap::iterator FindLine;
|
---|
960 | pair<LineMap::iterator,LineMap::iterator> FindPair;
|
---|
961 | FindPair = a->lines.equal_range(b->node->nr);
|
---|
962 |
|
---|
963 | for (FindLine = FindPair.first; FindLine != FindPair.second; ++FindLine) {
|
---|
964 | // If there is a line with less than two attached triangles, we don't need a new line.
|
---|
965 | if (FindLine->second->TrianglesCount < 2) {
|
---|
966 | insertNewLine = false;
|
---|
967 | cout << Verbose(3) << "Using existing line " << *FindLine->second << endl;
|
---|
968 |
|
---|
969 | BPS[0] = FindLine->second->endpoints[0];
|
---|
970 | BPS[1] = FindLine->second->endpoints[1];
|
---|
971 | BLS[n] = FindLine->second;
|
---|
972 |
|
---|
973 | break;
|
---|
974 | }
|
---|
975 | }
|
---|
976 | }
|
---|
977 |
|
---|
978 | if (insertNewLine) {
|
---|
979 | AlwaysAddTriangleLine(a, b, n);
|
---|
980 | }
|
---|
981 | }
|
---|
982 | ;
|
---|
983 |
|
---|
984 | /**
|
---|
985 | * Adds lines from each of the current points in the BPS to BoundaryLineSet.
|
---|
986 | * Raises the line count and inserts the new line into the BLS.
|
---|
987 | *
|
---|
988 | * @param *a first endpoint
|
---|
989 | * @param *b second endpoint
|
---|
990 | * @param n index of Tesselation::BLS giving the line with both endpoints
|
---|
991 | */
|
---|
992 | void Tesselation::AlwaysAddTriangleLine(class BoundaryPointSet *a, class BoundaryPointSet *b, int n)
|
---|
993 | {
|
---|
994 | cout << Verbose(3) << "Adding line between " << *(a->node) << " and " << *(b->node) << "." << endl;
|
---|
995 | BPS[0] = a;
|
---|
996 | BPS[1] = b;
|
---|
997 | BLS[n] = new class BoundaryLineSet(BPS, LinesOnBoundaryCount); // this also adds the line to the local maps
|
---|
998 | // add line to global map
|
---|
999 | LinesOnBoundary.insert(LinePair(LinesOnBoundaryCount, BLS[n]));
|
---|
1000 | // increase counter
|
---|
1001 | LinesOnBoundaryCount++;
|
---|
1002 | };
|
---|
1003 |
|
---|
1004 | /** Function tries to add Triangle just created to Triangle and remarks if already existent (Failure of algorithm).
|
---|
1005 | * Furthermore it adds the triangle to all of its lines, in order to recognize those which are saturated later.
|
---|
1006 | */
|
---|
1007 | void
|
---|
1008 | Tesselation::AddTriangle()
|
---|
1009 | {
|
---|
1010 | cout << Verbose(1) << "Adding triangle to global TrianglesOnBoundary map." << endl;
|
---|
1011 |
|
---|
1012 | // add triangle to global map
|
---|
1013 | TrianglesOnBoundary.insert(TrianglePair(TrianglesOnBoundaryCount, BTS));
|
---|
1014 | TrianglesOnBoundaryCount++;
|
---|
1015 |
|
---|
1016 | // NOTE: add triangle to local maps is done in constructor of BoundaryTriangleSet
|
---|
1017 | }
|
---|
1018 | ;
|
---|
1019 |
|
---|
1020 |
|
---|
1021 |
|
---|
1022 | /** Checks whether the triangle consisting of the three atoms is already present.
|
---|
1023 | * Searches for the points in Tesselation::PointsOnBoundary and checks their
|
---|
1024 | * lines. If any of the three edges already has two triangles attached, false is
|
---|
1025 | * returned.
|
---|
1026 | * \param *out output stream for debugging
|
---|
1027 | * \param *Candidates endpoints of the triangle candidate
|
---|
1028 | * \return integer 0 if no triangle exists, 1 if one triangle exists, 2 if two
|
---|
1029 | * triangles exist which is the maximum for three points
|
---|
1030 | */
|
---|
1031 | int Tesselation::CheckPresenceOfTriangle(ofstream *out, TesselPoint *Candidates[3]) {
|
---|
1032 | int adjacentTriangleCount = 0;
|
---|
1033 | class BoundaryPointSet *Points[3];
|
---|
1034 |
|
---|
1035 | *out << Verbose(2) << "Begin of CheckPresenceOfTriangle" << endl;
|
---|
1036 | // builds a triangle point set (Points) of the end points
|
---|
1037 | for (int i = 0; i < 3; i++) {
|
---|
1038 | PointMap::iterator FindPoint = PointsOnBoundary.find(Candidates[i]->nr);
|
---|
1039 | if (FindPoint != PointsOnBoundary.end()) {
|
---|
1040 | Points[i] = FindPoint->second;
|
---|
1041 | } else {
|
---|
1042 | Points[i] = NULL;
|
---|
1043 | }
|
---|
1044 | }
|
---|
1045 |
|
---|
1046 | // checks lines between the points in the Points for their adjacent triangles
|
---|
1047 | for (int i = 0; i < 3; i++) {
|
---|
1048 | if (Points[i] != NULL) {
|
---|
1049 | for (int j = i; j < 3; j++) {
|
---|
1050 | if (Points[j] != NULL) {
|
---|
1051 | LineMap::iterator FindLine = Points[i]->lines.find(Points[j]->node->nr);
|
---|
1052 | for (; (FindLine != Points[i]->lines.end()) && (FindLine->first == Points[j]->node->nr); FindLine++) {
|
---|
1053 | TriangleMap *triangles = &FindLine->second->triangles;
|
---|
1054 | *out << Verbose(3) << "Current line is " << FindLine->first << ": " << *(FindLine->second) << " with triangles " << triangles << "." << endl;
|
---|
1055 | for (TriangleMap::iterator FindTriangle = triangles->begin(); FindTriangle != triangles->end(); FindTriangle++) {
|
---|
1056 | if (FindTriangle->second->IsPresentTupel(Points)) {
|
---|
1057 | adjacentTriangleCount++;
|
---|
1058 | }
|
---|
1059 | }
|
---|
1060 | *out << Verbose(3) << "end." << endl;
|
---|
1061 | }
|
---|
1062 | // Only one of the triangle lines must be considered for the triangle count.
|
---|
1063 | *out << Verbose(2) << "Found " << adjacentTriangleCount << " adjacent triangles for the point set." << endl;
|
---|
1064 | return adjacentTriangleCount;
|
---|
1065 | }
|
---|
1066 | }
|
---|
1067 | }
|
---|
1068 | }
|
---|
1069 |
|
---|
1070 | *out << Verbose(2) << "Found " << adjacentTriangleCount << " adjacent triangles for the point set." << endl;
|
---|
1071 | *out << Verbose(2) << "End of CheckPresenceOfTriangle" << endl;
|
---|
1072 | return adjacentTriangleCount;
|
---|
1073 | };
|
---|
1074 |
|
---|
1075 |
|
---|
1076 | /** Finds the starting triangle for find_non_convex_border().
|
---|
1077 | * Looks at the outermost atom per axis, then Find_second_point_for_Tesselation()
|
---|
1078 | * for the second and Find_next_suitable_point_via_Angle_of_Sphere() for the third
|
---|
1079 | * point are called.
|
---|
1080 | * \param *out output stream for debugging
|
---|
1081 | * \param RADIUS radius of virtual rolling sphere
|
---|
1082 | * \param *LC LinkedCell structure with neighbouring TesselPoint's
|
---|
1083 | */
|
---|
1084 | void Tesselation::Find_starting_triangle(ofstream *out, const double RADIUS, LinkedCell *LC)
|
---|
1085 | {
|
---|
1086 | cout << Verbose(1) << "Begin of Find_starting_triangle\n";
|
---|
1087 | int i = 0;
|
---|
1088 | LinkedNodes *List = NULL;
|
---|
1089 | TesselPoint* FirstPoint = NULL;
|
---|
1090 | TesselPoint* SecondPoint = NULL;
|
---|
1091 | TesselPoint* MaxAtom[NDIM];
|
---|
1092 | double max_coordinate[NDIM];
|
---|
1093 | Vector Oben;
|
---|
1094 | Vector helper;
|
---|
1095 | Vector Chord;
|
---|
1096 | Vector SearchDirection;
|
---|
1097 |
|
---|
1098 | Oben.Zero();
|
---|
1099 |
|
---|
1100 | for (i = 0; i < 3; i++) {
|
---|
1101 | MaxAtom[i] = NULL;
|
---|
1102 | max_coordinate[i] = -1;
|
---|
1103 | }
|
---|
1104 |
|
---|
1105 | // 1. searching topmost atom with respect to each axis
|
---|
1106 | for (int i=0;i<NDIM;i++) { // each axis
|
---|
1107 | LC->n[i] = LC->N[i]-1; // current axis is topmost cell
|
---|
1108 | for (LC->n[(i+1)%NDIM]=0;LC->n[(i+1)%NDIM]<LC->N[(i+1)%NDIM];LC->n[(i+1)%NDIM]++)
|
---|
1109 | for (LC->n[(i+2)%NDIM]=0;LC->n[(i+2)%NDIM]<LC->N[(i+2)%NDIM];LC->n[(i+2)%NDIM]++) {
|
---|
1110 | List = LC->GetCurrentCell();
|
---|
1111 | //cout << Verbose(2) << "Current cell is " << LC->n[0] << ", " << LC->n[1] << ", " << LC->n[2] << " with No. " << LC->index << "." << endl;
|
---|
1112 | if (List != NULL) {
|
---|
1113 | for (LinkedNodes::iterator Runner = List->begin();Runner != List->end();Runner++) {
|
---|
1114 | if ((*Runner)->node->x[i] > max_coordinate[i]) {
|
---|
1115 | cout << Verbose(2) << "New maximal for axis " << i << " node is " << *(*Runner) << " at " << *(*Runner)->node << "." << endl;
|
---|
1116 | max_coordinate[i] = (*Runner)->node->x[i];
|
---|
1117 | MaxAtom[i] = (*Runner);
|
---|
1118 | }
|
---|
1119 | }
|
---|
1120 | } else {
|
---|
1121 | cerr << "ERROR: The current cell " << LC->n[0] << "," << LC->n[1] << "," << LC->n[2] << " is invalid!" << endl;
|
---|
1122 | }
|
---|
1123 | }
|
---|
1124 | }
|
---|
1125 |
|
---|
1126 | cout << Verbose(2) << "Found maximum coordinates: ";
|
---|
1127 | for (int i=0;i<NDIM;i++)
|
---|
1128 | cout << i << ": " << *MaxAtom[i] << "\t";
|
---|
1129 | cout << endl;
|
---|
1130 |
|
---|
1131 | BTS = NULL;
|
---|
1132 | CandidateList *Opt_Candidates = new CandidateList();
|
---|
1133 | for (int k=0;k<NDIM;k++) {
|
---|
1134 | Oben.x[k] = 1.;
|
---|
1135 | FirstPoint = MaxAtom[k];
|
---|
1136 | cout << Verbose(1) << "Coordinates of start node at " << *FirstPoint->node << "." << endl;
|
---|
1137 |
|
---|
1138 | double ShortestAngle;
|
---|
1139 | TesselPoint* Opt_Candidate = NULL;
|
---|
1140 | ShortestAngle = 999999.; // This will contain the angle, which will be always positive (when looking for second point), when looking for third point this will be the quadrant.
|
---|
1141 |
|
---|
1142 | Find_second_point_for_Tesselation(FirstPoint, NULL, Oben, Opt_Candidate, &ShortestAngle, RADIUS, LC); // we give same point as next candidate as its bonds are looked into in find_second_...
|
---|
1143 | SecondPoint = Opt_Candidate;
|
---|
1144 | if (SecondPoint == NULL) // have we found a second point?
|
---|
1145 | continue;
|
---|
1146 | else
|
---|
1147 | cout << Verbose(1) << "Found second point is at " << *SecondPoint->node << ".\n";
|
---|
1148 |
|
---|
1149 | helper.CopyVector(FirstPoint->node);
|
---|
1150 | helper.SubtractVector(SecondPoint->node);
|
---|
1151 | helper.Normalize();
|
---|
1152 | Oben.ProjectOntoPlane(&helper);
|
---|
1153 | Oben.Normalize();
|
---|
1154 | helper.VectorProduct(&Oben);
|
---|
1155 | ShortestAngle = 2.*M_PI; // This will indicate the quadrant.
|
---|
1156 |
|
---|
1157 | Chord.CopyVector(FirstPoint->node); // bring into calling function
|
---|
1158 | Chord.SubtractVector(SecondPoint->node);
|
---|
1159 | double radius = Chord.ScalarProduct(&Chord);
|
---|
1160 | double CircleRadius = sqrt(RADIUS*RADIUS - radius/4.);
|
---|
1161 | helper.CopyVector(&Oben);
|
---|
1162 | helper.Scale(CircleRadius);
|
---|
1163 | // Now, oben and helper are two orthonormalized vectors in the plane defined by Chord (not normalized)
|
---|
1164 |
|
---|
1165 | // look in one direction of baseline for initial candidate
|
---|
1166 | SearchDirection.MakeNormalVector(&Chord, &Oben); // whether we look "left" first or "right" first is not important ...
|
---|
1167 |
|
---|
1168 | // adding point 1 and point 2 and the line between them
|
---|
1169 | AddTrianglePoint(FirstPoint, 0);
|
---|
1170 | AddTrianglePoint(SecondPoint, 1);
|
---|
1171 | AddTriangleLine(TPS[0], TPS[1], 0);
|
---|
1172 |
|
---|
1173 | //cout << Verbose(2) << "INFO: OldSphereCenter is at " << helper << ".\n";
|
---|
1174 | Find_third_point_for_Tesselation(
|
---|
1175 | Oben, SearchDirection, helper, BLS[0], NULL, *&Opt_Candidates, &ShortestAngle, RADIUS, LC
|
---|
1176 | );
|
---|
1177 | cout << Verbose(1) << "List of third Points is ";
|
---|
1178 | for (CandidateList::iterator it = Opt_Candidates->begin(); it != Opt_Candidates->end(); ++it) {
|
---|
1179 | cout << " " << *(*it)->point;
|
---|
1180 | }
|
---|
1181 | cout << endl;
|
---|
1182 |
|
---|
1183 | for (CandidateList::iterator it = Opt_Candidates->begin(); it != Opt_Candidates->end(); ++it) {
|
---|
1184 | // add third triangle point
|
---|
1185 | AddTrianglePoint((*it)->point, 2);
|
---|
1186 | // add the second and third line
|
---|
1187 | AddTriangleLine(TPS[1], TPS[2], 1);
|
---|
1188 | AddTriangleLine(TPS[0], TPS[2], 2);
|
---|
1189 | // ... and triangles to the Maps of the Tesselation class
|
---|
1190 | BTS = new class BoundaryTriangleSet(BLS, TrianglesOnBoundaryCount);
|
---|
1191 | AddTriangle();
|
---|
1192 | // ... and calculate its normal vector (with correct orientation)
|
---|
1193 | (*it)->OptCenter.Scale(-1.);
|
---|
1194 | cout << Verbose(2) << "Anti-Oben is currently " << (*it)->OptCenter << "." << endl;
|
---|
1195 | BTS->GetNormalVector((*it)->OptCenter); // vector to compare with should point inwards
|
---|
1196 | cout << Verbose(0) << "==> Found starting triangle consists of " << *FirstPoint << ", " << *SecondPoint << " and "
|
---|
1197 | << *(*it)->point << " with normal vector " << BTS->NormalVector << ".\n";
|
---|
1198 |
|
---|
1199 | // if we do not reach the end with the next step of iteration, we need to setup a new first line
|
---|
1200 | if (it != Opt_Candidates->end()--) {
|
---|
1201 | FirstPoint = (*it)->BaseLine->endpoints[0]->node;
|
---|
1202 | SecondPoint = (*it)->point;
|
---|
1203 | // adding point 1 and point 2 and the line between them
|
---|
1204 | AddTrianglePoint(FirstPoint, 0);
|
---|
1205 | AddTrianglePoint(SecondPoint, 1);
|
---|
1206 | AddTriangleLine(TPS[0], TPS[1], 0);
|
---|
1207 | }
|
---|
1208 | cout << Verbose(2) << "Projection is " << BTS->NormalVector.Projection(&Oben) << "." << endl;
|
---|
1209 | }
|
---|
1210 | if (BTS != NULL) // we have created one starting triangle
|
---|
1211 | break;
|
---|
1212 | else {
|
---|
1213 | // remove all candidates from the list and then the list itself
|
---|
1214 | class CandidateForTesselation *remover = NULL;
|
---|
1215 | for (CandidateList::iterator it = Opt_Candidates->begin(); it != Opt_Candidates->end(); ++it) {
|
---|
1216 | remover = *it;
|
---|
1217 | delete(remover);
|
---|
1218 | }
|
---|
1219 | Opt_Candidates->clear();
|
---|
1220 | }
|
---|
1221 | }
|
---|
1222 |
|
---|
1223 | // remove all candidates from the list and then the list itself
|
---|
1224 | class CandidateForTesselation *remover = NULL;
|
---|
1225 | for (CandidateList::iterator it = Opt_Candidates->begin(); it != Opt_Candidates->end(); ++it) {
|
---|
1226 | remover = *it;
|
---|
1227 | delete(remover);
|
---|
1228 | }
|
---|
1229 | delete(Opt_Candidates);
|
---|
1230 | cout << Verbose(1) << "End of Find_starting_triangle\n";
|
---|
1231 | };
|
---|
1232 |
|
---|
1233 |
|
---|
1234 | /** This function finds a triangle to a line, adjacent to an existing one.
|
---|
1235 | * @param out output stream for debugging
|
---|
1236 | * @param Line current baseline to search from
|
---|
1237 | * @param T current triangle which \a Line is edge of
|
---|
1238 | * @param RADIUS radius of the rolling ball
|
---|
1239 | * @param N number of found triangles
|
---|
1240 | * @param *LC LinkedCell structure with neighbouring atoms
|
---|
1241 | */
|
---|
1242 | bool Tesselation::Find_next_suitable_triangle(ofstream *out, BoundaryLineSet &Line, BoundaryTriangleSet &T, const double& RADIUS, int N, LinkedCell *LC)
|
---|
1243 | {
|
---|
1244 | cout << Verbose(0) << "Begin of Find_next_suitable_triangle\n";
|
---|
1245 | bool result = true;
|
---|
1246 | CandidateList *Opt_Candidates = new CandidateList();
|
---|
1247 |
|
---|
1248 | Vector CircleCenter;
|
---|
1249 | Vector CirclePlaneNormal;
|
---|
1250 | Vector OldSphereCenter;
|
---|
1251 | Vector SearchDirection;
|
---|
1252 | Vector helper;
|
---|
1253 | TesselPoint *ThirdNode = NULL;
|
---|
1254 | LineMap::iterator testline;
|
---|
1255 | double ShortestAngle = 2.*M_PI; // This will indicate the quadrant.
|
---|
1256 | double radius, CircleRadius;
|
---|
1257 |
|
---|
1258 | cout << Verbose(1) << "Current baseline is " << Line << " of triangle " << T << "." << endl;
|
---|
1259 | for (int i=0;i<3;i++)
|
---|
1260 | if ((T.endpoints[i]->node != Line.endpoints[0]->node) && (T.endpoints[i]->node != Line.endpoints[1]->node))
|
---|
1261 | ThirdNode = T.endpoints[i]->node;
|
---|
1262 |
|
---|
1263 | // construct center of circle
|
---|
1264 | CircleCenter.CopyVector(Line.endpoints[0]->node->node);
|
---|
1265 | CircleCenter.AddVector(Line.endpoints[1]->node->node);
|
---|
1266 | CircleCenter.Scale(0.5);
|
---|
1267 |
|
---|
1268 | // construct normal vector of circle
|
---|
1269 | CirclePlaneNormal.CopyVector(Line.endpoints[0]->node->node);
|
---|
1270 | CirclePlaneNormal.SubtractVector(Line.endpoints[1]->node->node);
|
---|
1271 |
|
---|
1272 | // calculate squared radius of circle
|
---|
1273 | radius = CirclePlaneNormal.ScalarProduct(&CirclePlaneNormal);
|
---|
1274 | if (radius/4. < RADIUS*RADIUS) {
|
---|
1275 | CircleRadius = RADIUS*RADIUS - radius/4.;
|
---|
1276 | CirclePlaneNormal.Normalize();
|
---|
1277 | cout << Verbose(2) << "INFO: CircleCenter is at " << CircleCenter << ", CirclePlaneNormal is " << CirclePlaneNormal << " with circle radius " << sqrt(CircleRadius) << "." << endl;
|
---|
1278 |
|
---|
1279 | // construct old center
|
---|
1280 | GetCenterofCircumcircle(&OldSphereCenter, T.endpoints[0]->node->node, T.endpoints[1]->node->node, T.endpoints[2]->node->node);
|
---|
1281 | helper.CopyVector(&T.NormalVector); // normal vector ensures that this is correct center of the two possible ones
|
---|
1282 | radius = Line.endpoints[0]->node->node->DistanceSquared(&OldSphereCenter);
|
---|
1283 | helper.Scale(sqrt(RADIUS*RADIUS - radius));
|
---|
1284 | OldSphereCenter.AddVector(&helper);
|
---|
1285 | OldSphereCenter.SubtractVector(&CircleCenter);
|
---|
1286 | //cout << Verbose(2) << "INFO: OldSphereCenter is at " << OldSphereCenter << "." << endl;
|
---|
1287 |
|
---|
1288 | // construct SearchDirection
|
---|
1289 | SearchDirection.MakeNormalVector(&T.NormalVector, &CirclePlaneNormal);
|
---|
1290 | helper.CopyVector(Line.endpoints[0]->node->node);
|
---|
1291 | helper.SubtractVector(ThirdNode->node);
|
---|
1292 | if (helper.ScalarProduct(&SearchDirection) < -HULLEPSILON)// ohoh, SearchDirection points inwards!
|
---|
1293 | SearchDirection.Scale(-1.);
|
---|
1294 | SearchDirection.ProjectOntoPlane(&OldSphereCenter);
|
---|
1295 | SearchDirection.Normalize();
|
---|
1296 | cout << Verbose(2) << "INFO: SearchDirection is " << SearchDirection << "." << endl;
|
---|
1297 | if (fabs(OldSphereCenter.ScalarProduct(&SearchDirection)) > HULLEPSILON) {
|
---|
1298 | // rotated the wrong way!
|
---|
1299 | cerr << "ERROR: SearchDirection and RelativeOldSphereCenter are still not orthogonal!" << endl;
|
---|
1300 | }
|
---|
1301 |
|
---|
1302 | // add third point
|
---|
1303 | Find_third_point_for_Tesselation(
|
---|
1304 | T.NormalVector, SearchDirection, OldSphereCenter, &Line, ThirdNode, Opt_Candidates,
|
---|
1305 | &ShortestAngle, RADIUS, LC
|
---|
1306 | );
|
---|
1307 |
|
---|
1308 | } else {
|
---|
1309 | cout << Verbose(1) << "Circumcircle for base line " << Line << " and base triangle " << T << " is too big!" << endl;
|
---|
1310 | }
|
---|
1311 |
|
---|
1312 | if (Opt_Candidates->begin() == Opt_Candidates->end()) {
|
---|
1313 | cerr << "WARNING: Could not find a suitable candidate." << endl;
|
---|
1314 | return false;
|
---|
1315 | }
|
---|
1316 | cout << Verbose(1) << "Third Points are ";
|
---|
1317 | for (CandidateList::iterator it = Opt_Candidates->begin(); it != Opt_Candidates->end(); ++it) {
|
---|
1318 | cout << " " << *(*it)->point;
|
---|
1319 | }
|
---|
1320 | cout << endl;
|
---|
1321 |
|
---|
1322 | BoundaryLineSet *BaseRay = &Line;
|
---|
1323 | for (CandidateList::iterator it = Opt_Candidates->begin(); it != Opt_Candidates->end(); ++it) {
|
---|
1324 | cout << Verbose(1) << " Third point candidate is " << *(*it)->point
|
---|
1325 | << " with circumsphere's center at " << (*it)->OptCenter << "." << endl;
|
---|
1326 | cout << Verbose(1) << " Baseline is " << *BaseRay << endl;
|
---|
1327 |
|
---|
1328 | // check whether all edges of the new triangle still have space for one more triangle (i.e. TriangleCount <2)
|
---|
1329 | TesselPoint *AtomCandidates[3];
|
---|
1330 | AtomCandidates[0] = (*it)->point;
|
---|
1331 | AtomCandidates[1] = BaseRay->endpoints[0]->node;
|
---|
1332 | AtomCandidates[2] = BaseRay->endpoints[1]->node;
|
---|
1333 | int existentTrianglesCount = CheckPresenceOfTriangle(out, AtomCandidates);
|
---|
1334 |
|
---|
1335 | BTS = NULL;
|
---|
1336 | // If there is no triangle, add it regularly.
|
---|
1337 | if (existentTrianglesCount == 0) {
|
---|
1338 | AddTrianglePoint((*it)->point, 0);
|
---|
1339 | AddTrianglePoint(BaseRay->endpoints[0]->node, 1);
|
---|
1340 | AddTrianglePoint(BaseRay->endpoints[1]->node, 2);
|
---|
1341 |
|
---|
1342 | AddTriangleLine(TPS[0], TPS[1], 0);
|
---|
1343 | AddTriangleLine(TPS[0], TPS[2], 1);
|
---|
1344 | AddTriangleLine(TPS[1], TPS[2], 2);
|
---|
1345 |
|
---|
1346 | BTS = new class BoundaryTriangleSet(BLS, TrianglesOnBoundaryCount);
|
---|
1347 | AddTriangle();
|
---|
1348 | (*it)->OptCenter.Scale(-1.);
|
---|
1349 | BTS->GetNormalVector((*it)->OptCenter);
|
---|
1350 | (*it)->OptCenter.Scale(-1.);
|
---|
1351 |
|
---|
1352 | cout << "--> New triangle with " << *BTS << " and normal vector " << BTS->NormalVector
|
---|
1353 | << " for this triangle ... " << endl;
|
---|
1354 | //cout << Verbose(1) << "We have "<< TrianglesOnBoundaryCount << " for line " << *BaseRay << "." << endl;
|
---|
1355 | } else if (existentTrianglesCount == 1) { // If there is a planar region within the structure, we need this triangle a second time.
|
---|
1356 | AddTrianglePoint((*it)->point, 0);
|
---|
1357 | AddTrianglePoint(BaseRay->endpoints[0]->node, 1);
|
---|
1358 | AddTrianglePoint(BaseRay->endpoints[1]->node, 2);
|
---|
1359 |
|
---|
1360 | // We demand that at most one new degenerate line is created and that this line also already exists (which has to be the case due to existentTrianglesCount == 1)
|
---|
1361 | // i.e. at least one of the three lines must be present with TriangleCount <= 1
|
---|
1362 | if (CheckLineCriteriaforDegeneratedTriangle(TPS)) {
|
---|
1363 | AddTriangleLine(TPS[0], TPS[1], 0);
|
---|
1364 | AddTriangleLine(TPS[0], TPS[2], 1);
|
---|
1365 | AddTriangleLine(TPS[1], TPS[2], 2);
|
---|
1366 |
|
---|
1367 | BTS = new class BoundaryTriangleSet(BLS, TrianglesOnBoundaryCount);
|
---|
1368 | AddTriangle();
|
---|
1369 |
|
---|
1370 | (*it)->OtherOptCenter.Scale(-1.);
|
---|
1371 | BTS->GetNormalVector((*it)->OtherOptCenter);
|
---|
1372 | (*it)->OtherOptCenter.Scale(-1.);
|
---|
1373 |
|
---|
1374 | cout << "--> WARNING: Special new triangle with " << *BTS << " and normal vector " << BTS->NormalVector
|
---|
1375 | << " for this triangle ... " << endl;
|
---|
1376 | cout << Verbose(1) << "We have "<< BaseRay->TrianglesCount << " for line " << BaseRay << "." << endl;
|
---|
1377 | } else {
|
---|
1378 | cout << Verbose(1) << "WARNING: This triangle consisting of ";
|
---|
1379 | cout << *(*it)->point << ", ";
|
---|
1380 | cout << *BaseRay->endpoints[0]->node << " and ";
|
---|
1381 | cout << *BaseRay->endpoints[1]->node << " ";
|
---|
1382 | cout << "exists and is not added, as it does not seem helpful!" << endl;
|
---|
1383 | result = false;
|
---|
1384 | }
|
---|
1385 | } else {
|
---|
1386 | cout << Verbose(1) << "This triangle consisting of ";
|
---|
1387 | cout << *(*it)->point << ", ";
|
---|
1388 | cout << *BaseRay->endpoints[0]->node << " and ";
|
---|
1389 | cout << *BaseRay->endpoints[1]->node << " ";
|
---|
1390 | cout << "is invalid!" << endl;
|
---|
1391 | result = false;
|
---|
1392 | }
|
---|
1393 |
|
---|
1394 | // set baseline to new ray from ref point (here endpoints[0]->node) to current candidate (here (*it)->point))
|
---|
1395 | BaseRay = BLS[0];
|
---|
1396 | }
|
---|
1397 |
|
---|
1398 | // remove all candidates from the list and then the list itself
|
---|
1399 | class CandidateForTesselation *remover = NULL;
|
---|
1400 | for (CandidateList::iterator it = Opt_Candidates->begin(); it != Opt_Candidates->end(); ++it) {
|
---|
1401 | remover = *it;
|
---|
1402 | delete(remover);
|
---|
1403 | }
|
---|
1404 | delete(Opt_Candidates);
|
---|
1405 | cout << Verbose(0) << "End of Find_next_suitable_triangle\n";
|
---|
1406 | return result;
|
---|
1407 | };
|
---|
1408 |
|
---|
1409 |
|
---|
1410 | /** Goes over all baselines and checks whether adjacent triangles and convex to each other.
|
---|
1411 | * \param *out output stream for debugging
|
---|
1412 | * \return true - all baselines were corrected, false - there are still concave pieces
|
---|
1413 | */
|
---|
1414 | bool Tesselation::CorrectConcaveBaselines(ofstream *out)
|
---|
1415 | {
|
---|
1416 | class BoundaryTriangleSet *triangle[2];
|
---|
1417 | class BoundaryLineSet *OldLines[4], *NewLine;
|
---|
1418 | class BoundaryPointSet *OldPoints[2];
|
---|
1419 | Vector BaseLineNormal;
|
---|
1420 | class BoundaryLineSet *Base = NULL;
|
---|
1421 | int OldTriangles[2], OldBaseLine;
|
---|
1422 | int i;
|
---|
1423 | for (LineMap::iterator baseline = LinesOnBoundary.begin(); baseline != LinesOnBoundary.end(); baseline++) {
|
---|
1424 | Base = baseline->second;
|
---|
1425 |
|
---|
1426 | // check convexity
|
---|
1427 | if (Base->CheckConvexityCriterion(out)) { // triangles are convex
|
---|
1428 | *out << Verbose(3) << Base << " has two convex triangles." << endl;
|
---|
1429 | } else { // not convex!
|
---|
1430 | // get the two triangles
|
---|
1431 | i=0;
|
---|
1432 | for(TriangleMap::iterator runner = Base->triangles.begin(); runner != Base->triangles.end(); runner++)
|
---|
1433 | triangle[i++] = runner->second;
|
---|
1434 | // gather four endpoints and four lines
|
---|
1435 | for (int j=0;j<4;j++)
|
---|
1436 | OldLines[j] = NULL;
|
---|
1437 | for (int j=0;j<2;j++)
|
---|
1438 | OldPoints[j] = NULL;
|
---|
1439 | i=0;
|
---|
1440 | for (int m=0;m<2;m++) { // go over both triangles
|
---|
1441 | for (int j=0;j<3;j++) { // all of their endpoints and baselines
|
---|
1442 | if (triangle[m]->lines[j] != Base) // pick not the central baseline
|
---|
1443 | OldLines[i++] = triangle[m]->lines[j];
|
---|
1444 | if (!Base->ContainsBoundaryPoint(triangle[m]->endpoints[j])) // and neither of its endpoints
|
---|
1445 | OldPoints[m] = triangle[m]->endpoints[j];
|
---|
1446 | }
|
---|
1447 | }
|
---|
1448 | if (i<4) {
|
---|
1449 | *out << Verbose(1) << "ERROR: We have not gathered enough baselines!" << endl;
|
---|
1450 | return false;
|
---|
1451 | }
|
---|
1452 | for (int j=0;j<4;j++)
|
---|
1453 | if (OldLines[j] == NULL) {
|
---|
1454 | *out << Verbose(1) << "ERROR: We have not gathered enough baselines!" << endl;
|
---|
1455 | return false;
|
---|
1456 | }
|
---|
1457 | for (int j=0;j<2;j++)
|
---|
1458 | if (OldPoints[j] == NULL) {
|
---|
1459 | *out << Verbose(1) << "ERROR: We have not gathered enough endpoints!" << endl;
|
---|
1460 | return false;
|
---|
1461 | }
|
---|
1462 |
|
---|
1463 | // remove triangles
|
---|
1464 | for (int j=0;j<2;j++) {
|
---|
1465 | OldTriangles[j] = triangle[j]->Nr;
|
---|
1466 | TrianglesOnBoundary.erase(OldTriangles[j]);
|
---|
1467 | triangle[j] = NULL;
|
---|
1468 | }
|
---|
1469 |
|
---|
1470 | // remove baseline
|
---|
1471 | OldBaseLine = Base->Nr;
|
---|
1472 | LinesOnBoundary.erase(OldBaseLine);
|
---|
1473 | Base = NULL;
|
---|
1474 |
|
---|
1475 | // construct new baseline (with same number as old one)
|
---|
1476 | BPS[0] = OldPoints[0];
|
---|
1477 | BPS[1] = OldPoints[1];
|
---|
1478 | NewLine = new class BoundaryLineSet(BPS, OldBaseLine);
|
---|
1479 | LinesOnBoundary.insert(LinePair(OldBaseLine, NewLine)); // no need for check for unique insertion as NewLine is definitely a new one
|
---|
1480 |
|
---|
1481 | // construct new triangles with flipped baseline
|
---|
1482 | i=-1;
|
---|
1483 | if (BLS[0]->IsConnectedTo(OldLines[2]))
|
---|
1484 | i=2;
|
---|
1485 | if (BLS[0]->IsConnectedTo(OldLines[2]))
|
---|
1486 | i=3;
|
---|
1487 | if (i!=-1) {
|
---|
1488 | BLS[0] = OldLines[0];
|
---|
1489 | BLS[1] = OldLines[i];
|
---|
1490 | BLS[2] = NewLine;
|
---|
1491 | BTS = new class BoundaryTriangleSet(BLS, OldTriangles[0]);
|
---|
1492 | TrianglesOnBoundary.insert(TrianglePair(OldTriangles[0], BTS));
|
---|
1493 |
|
---|
1494 | BLS[0] = (i==2 ? OldLines[3] : OldLines[2]);
|
---|
1495 | BLS[1] = OldLines[1];
|
---|
1496 | BLS[2] = NewLine;
|
---|
1497 | BTS = new class BoundaryTriangleSet(BLS, OldTriangles[1]);
|
---|
1498 | TrianglesOnBoundary.insert(TrianglePair(OldTriangles[1], BTS));
|
---|
1499 | } else {
|
---|
1500 | *out << Verbose(1) << "The four old lines do not connect, something's utterly wrong here!" << endl;
|
---|
1501 | return false;
|
---|
1502 | }
|
---|
1503 | }
|
---|
1504 | }
|
---|
1505 | return true;
|
---|
1506 | };
|
---|
1507 |
|
---|
1508 |
|
---|
1509 | /** States whether point is in- or outside of a tesselated surface.
|
---|
1510 | * \param *pointer point to be checked
|
---|
1511 | * \return true - is inside, false - is outside
|
---|
1512 | */
|
---|
1513 | bool Tesselation::IsInside(Vector *pointer)
|
---|
1514 | {
|
---|
1515 |
|
---|
1516 | // hier kommt dann Saskias Routine hin...
|
---|
1517 |
|
---|
1518 | return true;
|
---|
1519 | };
|
---|
1520 |
|
---|
1521 |
|
---|
1522 | /** Finds the closest triangle to a given point.
|
---|
1523 | * \param *out output stream for debugging
|
---|
1524 | * \param *x second endpoint of line
|
---|
1525 | * \return pointer triangle that is closest, NULL if none was found
|
---|
1526 | */
|
---|
1527 | class BoundaryTriangleSet * Tesselation::FindClosestTriangleToPoint(ofstream *out, Vector *x)
|
---|
1528 | {
|
---|
1529 | class BoundaryTriangleSet *triangle = NULL;
|
---|
1530 |
|
---|
1531 | // hier kommt dann Saskias Routine hin...
|
---|
1532 |
|
---|
1533 | return triangle;
|
---|
1534 | };
|
---|
1535 |
|
---|
1536 |
|
---|
1537 | /** Finds the second point of starting triangle.
|
---|
1538 | * \param *a first node
|
---|
1539 | * \param *Candidate pointer to candidate node on return
|
---|
1540 | * \param Oben vector indicating the outside
|
---|
1541 | * \param Opt_Candidate reference to recommended candidate on return
|
---|
1542 | * \param Storage[3] array storing angles and other candidate information
|
---|
1543 | * \param RADIUS radius of virtual sphere
|
---|
1544 | * \param *LC LinkedCell structure with neighbouring atoms
|
---|
1545 | */
|
---|
1546 | void Tesselation::Find_second_point_for_Tesselation(TesselPoint* a, TesselPoint* Candidate, Vector Oben, TesselPoint*& Opt_Candidate, double Storage[3], double RADIUS, LinkedCell *LC)
|
---|
1547 | {
|
---|
1548 | cout << Verbose(2) << "Begin of Find_second_point_for_Tesselation" << endl;
|
---|
1549 | Vector AngleCheck;
|
---|
1550 | double norm = -1., angle;
|
---|
1551 | LinkedNodes *List = NULL;
|
---|
1552 | int N[NDIM], Nlower[NDIM], Nupper[NDIM];
|
---|
1553 |
|
---|
1554 | if (LC->SetIndexToNode(a)) { // get cell for the starting atom
|
---|
1555 | for(int i=0;i<NDIM;i++) // store indices of this cell
|
---|
1556 | N[i] = LC->n[i];
|
---|
1557 | } else {
|
---|
1558 | cerr << "ERROR: Atom " << *a << " is not found in cell " << LC->index << "." << endl;
|
---|
1559 | return;
|
---|
1560 | }
|
---|
1561 | // then go through the current and all neighbouring cells and check the contained atoms for possible candidates
|
---|
1562 | cout << Verbose(3) << "LC Intervals from [";
|
---|
1563 | for (int i=0;i<NDIM;i++) {
|
---|
1564 | cout << " " << N[i] << "<->" << LC->N[i];
|
---|
1565 | }
|
---|
1566 | cout << "] :";
|
---|
1567 | for (int i=0;i<NDIM;i++) {
|
---|
1568 | Nlower[i] = ((N[i]-1) >= 0) ? N[i]-1 : 0;
|
---|
1569 | Nupper[i] = ((N[i]+1) < LC->N[i]) ? N[i]+1 : LC->N[i]-1;
|
---|
1570 | cout << " [" << Nlower[i] << "," << Nupper[i] << "] ";
|
---|
1571 | }
|
---|
1572 | cout << endl;
|
---|
1573 |
|
---|
1574 |
|
---|
1575 | for (LC->n[0] = Nlower[0]; LC->n[0] <= Nupper[0]; LC->n[0]++)
|
---|
1576 | for (LC->n[1] = Nlower[1]; LC->n[1] <= Nupper[1]; LC->n[1]++)
|
---|
1577 | for (LC->n[2] = Nlower[2]; LC->n[2] <= Nupper[2]; LC->n[2]++) {
|
---|
1578 | List = LC->GetCurrentCell();
|
---|
1579 | //cout << Verbose(2) << "Current cell is " << LC->n[0] << ", " << LC->n[1] << ", " << LC->n[2] << " with No. " << LC->index << "." << endl;
|
---|
1580 | if (List != NULL) {
|
---|
1581 | for (LinkedNodes::iterator Runner = List->begin(); Runner != List->end(); Runner++) {
|
---|
1582 | Candidate = (*Runner);
|
---|
1583 | // check if we only have one unique point yet ...
|
---|
1584 | if (a != Candidate) {
|
---|
1585 | // Calculate center of the circle with radius RADIUS through points a and Candidate
|
---|
1586 | Vector OrthogonalizedOben, a_Candidate, Center;
|
---|
1587 | double distance, scaleFactor;
|
---|
1588 |
|
---|
1589 | OrthogonalizedOben.CopyVector(&Oben);
|
---|
1590 | a_Candidate.CopyVector(a->node);
|
---|
1591 | a_Candidate.SubtractVector(Candidate->node);
|
---|
1592 | OrthogonalizedOben.ProjectOntoPlane(&a_Candidate);
|
---|
1593 | OrthogonalizedOben.Normalize();
|
---|
1594 | distance = 0.5 * a_Candidate.Norm();
|
---|
1595 | scaleFactor = sqrt(((RADIUS * RADIUS) - (distance * distance)));
|
---|
1596 | OrthogonalizedOben.Scale(scaleFactor);
|
---|
1597 |
|
---|
1598 | Center.CopyVector(Candidate->node);
|
---|
1599 | Center.AddVector(a->node);
|
---|
1600 | Center.Scale(0.5);
|
---|
1601 | Center.AddVector(&OrthogonalizedOben);
|
---|
1602 |
|
---|
1603 | AngleCheck.CopyVector(&Center);
|
---|
1604 | AngleCheck.SubtractVector(a->node);
|
---|
1605 | norm = a_Candidate.Norm();
|
---|
1606 | // second point shall have smallest angle with respect to Oben vector
|
---|
1607 | if (norm < RADIUS*2.) {
|
---|
1608 | angle = AngleCheck.Angle(&Oben);
|
---|
1609 | if (angle < Storage[0]) {
|
---|
1610 | //cout << Verbose(3) << "Old values of Storage: %lf %lf \n", Storage[0], Storage[1]);
|
---|
1611 | cout << Verbose(3) << "Current candidate is " << *Candidate << ": Is a better candidate with distance " << norm << " and angle " << angle << " to oben " << Oben << ".\n";
|
---|
1612 | Opt_Candidate = Candidate;
|
---|
1613 | Storage[0] = angle;
|
---|
1614 | //cout << Verbose(3) << "Changing something in Storage: %lf %lf. \n", Storage[0], Storage[2]);
|
---|
1615 | } else {
|
---|
1616 | //cout << Verbose(3) << "Current candidate is " << *Candidate << ": Looses with angle " << angle << " to a better candidate " << *Opt_Candidate << endl;
|
---|
1617 | }
|
---|
1618 | } else {
|
---|
1619 | //cout << Verbose(3) << "Current candidate is " << *Candidate << ": Refused due to Radius " << norm << endl;
|
---|
1620 | }
|
---|
1621 | } else {
|
---|
1622 | //cout << Verbose(3) << "Current candidate is " << *Candidate << ": Candidate is equal to first endpoint." << *a << "." << endl;
|
---|
1623 | }
|
---|
1624 | }
|
---|
1625 | } else {
|
---|
1626 | cout << Verbose(3) << "Linked cell list is empty." << endl;
|
---|
1627 | }
|
---|
1628 | }
|
---|
1629 | cout << Verbose(2) << "End of Find_second_point_for_Tesselation" << endl;
|
---|
1630 | };
|
---|
1631 |
|
---|
1632 |
|
---|
1633 | /** This recursive function finds a third point, to form a triangle with two given ones.
|
---|
1634 | * Note that this function is for the starting triangle.
|
---|
1635 | * The idea is as follows: A sphere with fixed radius is (almost) uniquely defined in space by three points
|
---|
1636 | * that sit on its boundary. Hence, when two points are given and we look for the (next) third point, then
|
---|
1637 | * the center of the sphere is still fixed up to a single parameter. The band of possible values
|
---|
1638 | * describes a circle in 3D-space. The old center of the sphere for the current base triangle gives
|
---|
1639 | * us the "null" on this circle, the new center of the candidate point will be some way along this
|
---|
1640 | * circle. The shorter the way the better is the candidate. Note that the direction is clearly given
|
---|
1641 | * by the normal vector of the base triangle that always points outwards by construction.
|
---|
1642 | * Hence, we construct a Center of this circle which sits right in the middle of the current base line.
|
---|
1643 | * We construct the normal vector that defines the plane this circle lies in, it is just in the
|
---|
1644 | * direction of the baseline. And finally, we need the radius of the circle, which is given by the rest
|
---|
1645 | * with respect to the length of the baseline and the sphere's fixed \a RADIUS.
|
---|
1646 | * Note that there is one difficulty: The circumcircle is uniquely defined, but for the circumsphere's center
|
---|
1647 | * there are two possibilities which becomes clear from the construction as seen below. Hence, we must check
|
---|
1648 | * both.
|
---|
1649 | * Note also that the acos() function is not unique on [0, 2.*M_PI). Hence, we need an additional check
|
---|
1650 | * to decide for one of the two possible angles. Therefore we need a SearchDirection and to make this check
|
---|
1651 | * sensible we need OldSphereCenter to be orthogonal to it. Either we construct SearchDirection orthogonal
|
---|
1652 | * right away, or -- what we do here -- we rotate the relative sphere centers such that this orthogonality
|
---|
1653 | * holds. Then, the normalized projection onto the SearchDirection is either +1 or -1 and thus states whether
|
---|
1654 | * the angle is uniquely in either (0,M_PI] or [M_PI, 2.*M_PI).
|
---|
1655 | * @param NormalVector normal direction of the base triangle (here the unit axis vector, \sa Find_starting_triangle())
|
---|
1656 | * @param SearchDirection general direction where to search for the next point, relative to center of BaseLine
|
---|
1657 | * @param OldSphereCenter center of sphere for base triangle, relative to center of BaseLine, giving null angle for the parameter circle
|
---|
1658 | * @param BaseLine BoundaryLineSet with the current base line
|
---|
1659 | * @param ThirdNode third atom to avoid in search
|
---|
1660 | * @param candidates list of equally good candidates to return
|
---|
1661 | * @param ShortestAngle the current path length on this circle band for the current Opt_Candidate
|
---|
1662 | * @param RADIUS radius of sphere
|
---|
1663 | * @param *LC LinkedCell structure with neighbouring atoms
|
---|
1664 | */
|
---|
1665 | void Tesselation::Find_third_point_for_Tesselation(Vector NormalVector, Vector SearchDirection, Vector OldSphereCenter, class BoundaryLineSet *BaseLine, class TesselPoint *ThirdNode, CandidateList* &candidates, double *ShortestAngle, const double RADIUS, LinkedCell *LC)
|
---|
1666 | {
|
---|
1667 | Vector CircleCenter; // center of the circle, i.e. of the band of sphere's centers
|
---|
1668 | Vector CirclePlaneNormal; // normal vector defining the plane this circle lives in
|
---|
1669 | Vector SphereCenter;
|
---|
1670 | Vector NewSphereCenter; // center of the sphere defined by the two points of BaseLine and the one of Candidate, first possibility
|
---|
1671 | Vector OtherNewSphereCenter; // center of the sphere defined by the two points of BaseLine and the one of Candidate, second possibility
|
---|
1672 | Vector NewNormalVector; // normal vector of the Candidate's triangle
|
---|
1673 | Vector helper, OptCandidateCenter, OtherOptCandidateCenter;
|
---|
1674 | LinkedNodes *List = NULL;
|
---|
1675 | double CircleRadius; // radius of this circle
|
---|
1676 | double radius;
|
---|
1677 | double alpha, Otheralpha; // angles (i.e. parameter for the circle).
|
---|
1678 | int N[NDIM], Nlower[NDIM], Nupper[NDIM];
|
---|
1679 | TesselPoint *Candidate = NULL;
|
---|
1680 | CandidateForTesselation *optCandidate = NULL;
|
---|
1681 |
|
---|
1682 | cout << Verbose(1) << "Begin of Find_third_point_for_Tesselation" << endl;
|
---|
1683 |
|
---|
1684 | //cout << Verbose(2) << "INFO: NormalVector of BaseTriangle is " << NormalVector << "." << endl;
|
---|
1685 |
|
---|
1686 | // construct center of circle
|
---|
1687 | CircleCenter.CopyVector(BaseLine->endpoints[0]->node->node);
|
---|
1688 | CircleCenter.AddVector(BaseLine->endpoints[1]->node->node);
|
---|
1689 | CircleCenter.Scale(0.5);
|
---|
1690 |
|
---|
1691 | // construct normal vector of circle
|
---|
1692 | CirclePlaneNormal.CopyVector(BaseLine->endpoints[0]->node->node);
|
---|
1693 | CirclePlaneNormal.SubtractVector(BaseLine->endpoints[1]->node->node);
|
---|
1694 |
|
---|
1695 | // calculate squared radius TesselPoint *ThirdNode,f circle
|
---|
1696 | radius = CirclePlaneNormal.ScalarProduct(&CirclePlaneNormal);
|
---|
1697 | if (radius/4. < RADIUS*RADIUS) {
|
---|
1698 | CircleRadius = RADIUS*RADIUS - radius/4.;
|
---|
1699 | CirclePlaneNormal.Normalize();
|
---|
1700 | //cout << Verbose(2) << "INFO: CircleCenter is at " << CircleCenter << ", CirclePlaneNormal is " << CirclePlaneNormal << " with circle radius " << sqrt(CircleRadius) << "." << endl;
|
---|
1701 |
|
---|
1702 | // test whether old center is on the band's plane
|
---|
1703 | if (fabs(OldSphereCenter.ScalarProduct(&CirclePlaneNormal)) > HULLEPSILON) {
|
---|
1704 | cerr << "ERROR: Something's very wrong here: OldSphereCenter is not on the band's plane as desired by " << fabs(OldSphereCenter.ScalarProduct(&CirclePlaneNormal)) << "!" << endl;
|
---|
1705 | OldSphereCenter.ProjectOntoPlane(&CirclePlaneNormal);
|
---|
1706 | }
|
---|
1707 | radius = OldSphereCenter.ScalarProduct(&OldSphereCenter);
|
---|
1708 | if (fabs(radius - CircleRadius) < HULLEPSILON) {
|
---|
1709 |
|
---|
1710 | // check SearchDirection
|
---|
1711 | //cout << Verbose(2) << "INFO: SearchDirection is " << SearchDirection << "." << endl;
|
---|
1712 | if (fabs(OldSphereCenter.ScalarProduct(&SearchDirection)) > HULLEPSILON) { // rotated the wrong way!
|
---|
1713 | cerr << "ERROR: SearchDirection and RelativeOldSphereCenter are not orthogonal!" << endl;
|
---|
1714 | }
|
---|
1715 |
|
---|
1716 | // get cell for the starting atom
|
---|
1717 | if (LC->SetIndexToVector(&CircleCenter)) {
|
---|
1718 | for(int i=0;i<NDIM;i++) // store indices of this cell
|
---|
1719 | N[i] = LC->n[i];
|
---|
1720 | //cout << Verbose(2) << "INFO: Center cell is " << N[0] << ", " << N[1] << ", " << N[2] << " with No. " << LC->index << "." << endl;
|
---|
1721 | } else {
|
---|
1722 | cerr << "ERROR: Vector " << CircleCenter << " is outside of LinkedCell's bounding box." << endl;
|
---|
1723 | return;
|
---|
1724 | }
|
---|
1725 | // then go through the current and all neighbouring cells and check the contained atoms for possible candidates
|
---|
1726 | //cout << Verbose(2) << "LC Intervals:";
|
---|
1727 | for (int i=0;i<NDIM;i++) {
|
---|
1728 | Nlower[i] = ((N[i]-1) >= 0) ? N[i]-1 : 0;
|
---|
1729 | Nupper[i] = ((N[i]+1) < LC->N[i]) ? N[i]+1 : LC->N[i]-1;
|
---|
1730 | //cout << " [" << Nlower[i] << "," << Nupper[i] << "] ";
|
---|
1731 | }
|
---|
1732 | //cout << endl;
|
---|
1733 | for (LC->n[0] = Nlower[0]; LC->n[0] <= Nupper[0]; LC->n[0]++)
|
---|
1734 | for (LC->n[1] = Nlower[1]; LC->n[1] <= Nupper[1]; LC->n[1]++)
|
---|
1735 | for (LC->n[2] = Nlower[2]; LC->n[2] <= Nupper[2]; LC->n[2]++) {
|
---|
1736 | List = LC->GetCurrentCell();
|
---|
1737 | //cout << Verbose(2) << "Current cell is " << LC->n[0] << ", " << LC->n[1] << ", " << LC->n[2] << " with No. " << LC->index << "." << endl;
|
---|
1738 | if (List != NULL) {
|
---|
1739 | for (LinkedNodes::iterator Runner = List->begin(); Runner != List->end(); Runner++) {
|
---|
1740 | Candidate = (*Runner);
|
---|
1741 |
|
---|
1742 | // check for three unique points
|
---|
1743 | //cout << Verbose(2) << "INFO: Current Candidate is " << *Candidate << " at " << Candidate->x << "." << endl;
|
---|
1744 | if ((Candidate != BaseLine->endpoints[0]->node) && (Candidate != BaseLine->endpoints[1]->node) ){
|
---|
1745 |
|
---|
1746 | // construct both new centers
|
---|
1747 | GetCenterofCircumcircle(&NewSphereCenter, BaseLine->endpoints[0]->node->node, BaseLine->endpoints[1]->node->node, Candidate->node);
|
---|
1748 | OtherNewSphereCenter.CopyVector(&NewSphereCenter);
|
---|
1749 |
|
---|
1750 | if ((NewNormalVector.MakeNormalVector(BaseLine->endpoints[0]->node->node, BaseLine->endpoints[1]->node->node, Candidate->node))
|
---|
1751 | && (fabs(NewNormalVector.ScalarProduct(&NewNormalVector)) > HULLEPSILON)
|
---|
1752 | ) {
|
---|
1753 | helper.CopyVector(&NewNormalVector);
|
---|
1754 | //cout << Verbose(2) << "INFO: NewNormalVector is " << NewNormalVector << "." << endl;
|
---|
1755 | radius = BaseLine->endpoints[0]->node->node->DistanceSquared(&NewSphereCenter);
|
---|
1756 | if (radius < RADIUS*RADIUS) {
|
---|
1757 | helper.Scale(sqrt(RADIUS*RADIUS - radius));
|
---|
1758 | //cout << Verbose(2) << "INFO: Distance of NewCircleCenter to NewSphereCenter is " << helper.Norm() << " with sphere radius " << RADIUS << "." << endl;
|
---|
1759 | NewSphereCenter.AddVector(&helper);
|
---|
1760 | NewSphereCenter.SubtractVector(&CircleCenter);
|
---|
1761 | //cout << Verbose(2) << "INFO: NewSphereCenter is at " << NewSphereCenter << "." << endl;
|
---|
1762 |
|
---|
1763 | // OtherNewSphereCenter is created by the same vector just in the other direction
|
---|
1764 | helper.Scale(-1.);
|
---|
1765 | OtherNewSphereCenter.AddVector(&helper);
|
---|
1766 | OtherNewSphereCenter.SubtractVector(&CircleCenter);
|
---|
1767 | //cout << Verbose(2) << "INFO: OtherNewSphereCenter is at " << OtherNewSphereCenter << "." << endl;
|
---|
1768 |
|
---|
1769 | alpha = GetPathLengthonCircumCircle(CircleCenter, CirclePlaneNormal, CircleRadius, NewSphereCenter, OldSphereCenter, NormalVector, SearchDirection);
|
---|
1770 | Otheralpha = GetPathLengthonCircumCircle(CircleCenter, CirclePlaneNormal, CircleRadius, OtherNewSphereCenter, OldSphereCenter, NormalVector, SearchDirection);
|
---|
1771 | alpha = min(alpha, Otheralpha);
|
---|
1772 | // if there is a better candidate, drop the current list and add the new candidate
|
---|
1773 | // otherwise ignore the new candidate and keep the list
|
---|
1774 | if (*ShortestAngle > (alpha - HULLEPSILON)) {
|
---|
1775 | optCandidate = new CandidateForTesselation(Candidate, BaseLine, OptCandidateCenter, OtherOptCandidateCenter);
|
---|
1776 | if (fabs(alpha - Otheralpha) > MYEPSILON) {
|
---|
1777 | optCandidate->OptCenter.CopyVector(&NewSphereCenter);
|
---|
1778 | optCandidate->OtherOptCenter.CopyVector(&OtherNewSphereCenter);
|
---|
1779 | } else {
|
---|
1780 | optCandidate->OptCenter.CopyVector(&OtherNewSphereCenter);
|
---|
1781 | optCandidate->OtherOptCenter.CopyVector(&NewSphereCenter);
|
---|
1782 | }
|
---|
1783 | // if there is an equal candidate, add it to the list without clearing the list
|
---|
1784 | if ((*ShortestAngle - HULLEPSILON) < alpha) {
|
---|
1785 | candidates->push_back(optCandidate);
|
---|
1786 | cout << Verbose(2) << "ACCEPT: We have found an equally good candidate: " << *(optCandidate->point) << " with "
|
---|
1787 | << alpha << " and circumsphere's center at " << optCandidate->OptCenter << "." << endl;
|
---|
1788 | } else {
|
---|
1789 | // remove all candidates from the list and then the list itself
|
---|
1790 | class CandidateForTesselation *remover = NULL;
|
---|
1791 | for (CandidateList::iterator it = candidates->begin(); it != candidates->end(); ++it) {
|
---|
1792 | remover = *it;
|
---|
1793 | delete(remover);
|
---|
1794 | }
|
---|
1795 | candidates->clear();
|
---|
1796 | candidates->push_back(optCandidate);
|
---|
1797 | cout << Verbose(2) << "ACCEPT: We have found a better candidate: " << *(optCandidate->point) << " with "
|
---|
1798 | << alpha << " and circumsphere's center at " << optCandidate->OptCenter << "." << endl;
|
---|
1799 | }
|
---|
1800 | *ShortestAngle = alpha;
|
---|
1801 | //cout << Verbose(2) << "INFO: There are " << candidates->size() << " candidates in the list now." << endl;
|
---|
1802 | } else {
|
---|
1803 | if ((optCandidate != NULL) && (optCandidate->point != NULL)) {
|
---|
1804 | //cout << Verbose(2) << "REJECT: Old candidate: " << *(optCandidate->point) << " is better than " << alpha << " with " << *ShortestAngle << "." << endl;
|
---|
1805 | } else {
|
---|
1806 | //cout << Verbose(2) << "REJECT: Candidate " << *Candidate << " with " << alpha << " was rejected." << endl;
|
---|
1807 | }
|
---|
1808 | }
|
---|
1809 |
|
---|
1810 | } else {
|
---|
1811 | //cout << Verbose(2) << "REJECT: NewSphereCenter " << NewSphereCenter << " is too far away: " << radius << "." << endl;
|
---|
1812 | }
|
---|
1813 | } else {
|
---|
1814 | //cout << Verbose(2) << "REJECT: Three points from " << *BaseLine << " and Candidate " << *Candidate << " are linear-dependent." << endl;
|
---|
1815 | }
|
---|
1816 | } else {
|
---|
1817 | if (ThirdNode != NULL) {
|
---|
1818 | //cout << Verbose(2) << "REJECT: Base triangle " << *BaseLine << " and " << *ThirdNode << " contains Candidate " << *Candidate << "." << endl;
|
---|
1819 | } else {
|
---|
1820 | //cout << Verbose(2) << "REJECT: Base triangle " << *BaseLine << " contains Candidate " << *Candidate << "." << endl;
|
---|
1821 | }
|
---|
1822 | }
|
---|
1823 | }
|
---|
1824 | }
|
---|
1825 | }
|
---|
1826 | } else {
|
---|
1827 | cerr << Verbose(2) << "ERROR: The projected center of the old sphere has radius " << radius << " instead of " << CircleRadius << "." << endl;
|
---|
1828 | }
|
---|
1829 | } else {
|
---|
1830 | if (ThirdNode != NULL)
|
---|
1831 | cout << Verbose(2) << "Circumcircle for base line " << *BaseLine << " and third node " << *ThirdNode << " is too big!" << endl;
|
---|
1832 | else
|
---|
1833 | cout << Verbose(2) << "Circumcircle for base line " << *BaseLine << " is too big!" << endl;
|
---|
1834 | }
|
---|
1835 |
|
---|
1836 | //cout << Verbose(2) << "INFO: Sorting candidate list ..." << endl;
|
---|
1837 | if (candidates->size() > 1) {
|
---|
1838 | candidates->unique();
|
---|
1839 | candidates->sort(sortCandidates);
|
---|
1840 | }
|
---|
1841 |
|
---|
1842 | cout << Verbose(1) << "End of Find_third_point_for_Tesselation" << endl;
|
---|
1843 | };
|
---|
1844 |
|
---|
1845 | /** Finds the endpoint two lines are sharing.
|
---|
1846 | * \param *line1 first line
|
---|
1847 | * \param *line2 second line
|
---|
1848 | * \return point which is shared or NULL if none
|
---|
1849 | */
|
---|
1850 | class BoundaryPointSet *Tesselation::GetCommonEndpoint(class BoundaryLineSet * line1, class BoundaryLineSet * line2)
|
---|
1851 | {
|
---|
1852 | class BoundaryLineSet * lines[2] =
|
---|
1853 | { line1, line2 };
|
---|
1854 | class BoundaryPointSet *node = NULL;
|
---|
1855 | map<int, class BoundaryPointSet *> OrderMap;
|
---|
1856 | pair<map<int, class BoundaryPointSet *>::iterator, bool> OrderTest;
|
---|
1857 | for (int i = 0; i < 2; i++)
|
---|
1858 | // for both lines
|
---|
1859 | for (int j = 0; j < 2; j++)
|
---|
1860 | { // for both endpoints
|
---|
1861 | OrderTest = OrderMap.insert(pair<int, class BoundaryPointSet *> (
|
---|
1862 | lines[i]->endpoints[j]->Nr, lines[i]->endpoints[j]));
|
---|
1863 | if (!OrderTest.second)
|
---|
1864 | { // if insertion fails, we have common endpoint
|
---|
1865 | node = OrderTest.first->second;
|
---|
1866 | cout << Verbose(5) << "Common endpoint of lines " << *line1
|
---|
1867 | << " and " << *line2 << " is: " << *node << "." << endl;
|
---|
1868 | j = 2;
|
---|
1869 | i = 2;
|
---|
1870 | break;
|
---|
1871 | }
|
---|
1872 | }
|
---|
1873 | return node;
|
---|
1874 | };
|
---|
1875 |
|
---|
1876 | /** Checks for a new special triangle whether one of its edges is already present with one one triangle connected.
|
---|
1877 | * This enforces that special triangles (i.e. degenerated ones) should at last close the open-edge frontier and not
|
---|
1878 | * make it bigger (i.e. closing one (the baseline) and opening two new ones).
|
---|
1879 | * \param TPS[3] nodes of the triangle
|
---|
1880 | * \return true - there is such a line (i.e. creation of degenerated triangle is valid), false - no such line (don't create)
|
---|
1881 | */
|
---|
1882 | bool CheckLineCriteriaforDegeneratedTriangle(class BoundaryPointSet *nodes[3])
|
---|
1883 | {
|
---|
1884 | bool result = false;
|
---|
1885 | int counter = 0;
|
---|
1886 |
|
---|
1887 | // check all three points
|
---|
1888 | for (int i=0;i<3;i++)
|
---|
1889 | for (int j=i+1; j<3; j++) {
|
---|
1890 | if (nodes[i]->lines.find(nodes[j]->node->nr) != nodes[i]->lines.end()) { // there already is a line
|
---|
1891 | LineMap::iterator FindLine;
|
---|
1892 | pair<LineMap::iterator,LineMap::iterator> FindPair;
|
---|
1893 | FindPair = nodes[i]->lines.equal_range(nodes[j]->node->nr);
|
---|
1894 | for (FindLine = FindPair.first; FindLine != FindPair.second; ++FindLine) {
|
---|
1895 | // If there is a line with less than two attached triangles, we don't need a new line.
|
---|
1896 | if (FindLine->second->TrianglesCount < 2) {
|
---|
1897 | counter++;
|
---|
1898 | break; // increase counter only once per edge
|
---|
1899 | }
|
---|
1900 | }
|
---|
1901 | } else { // no line
|
---|
1902 | cout << Verbose(1) << "ERROR: The line between " << nodes[i] << " and " << nodes[j] << " is not yet present, hence no need for a degenerate triangle!" << endl;
|
---|
1903 | result = true;
|
---|
1904 | }
|
---|
1905 | }
|
---|
1906 | if (counter > 1) {
|
---|
1907 | cout << Verbose(2) << "INFO: Degenerate triangle is ok, at least two, here " << counter << ", existing lines are used." << endl;
|
---|
1908 | result = true;
|
---|
1909 | }
|
---|
1910 | return result;
|
---|
1911 | };
|
---|
1912 |
|
---|
1913 |
|
---|
1914 | /** Sort function for the candidate list.
|
---|
1915 | */
|
---|
1916 | bool sortCandidates(CandidateForTesselation* candidate1, CandidateForTesselation* candidate2)
|
---|
1917 | {
|
---|
1918 | Vector BaseLineVector, OrthogonalVector, helper;
|
---|
1919 | if (candidate1->BaseLine != candidate2->BaseLine) { // sanity check
|
---|
1920 | cout << Verbose(0) << "ERROR: sortCandidates was called for two different baselines: " << candidate1->BaseLine << " and " << candidate2->BaseLine << "." << endl;
|
---|
1921 | //return false;
|
---|
1922 | exit(1);
|
---|
1923 | }
|
---|
1924 | // create baseline vector
|
---|
1925 | BaseLineVector.CopyVector(candidate1->BaseLine->endpoints[1]->node->node);
|
---|
1926 | BaseLineVector.SubtractVector(candidate1->BaseLine->endpoints[0]->node->node);
|
---|
1927 | BaseLineVector.Normalize();
|
---|
1928 |
|
---|
1929 | // create normal in-plane vector to cope with acos() non-uniqueness on [0,2pi] (note that is pointing in the "right" direction already, hence ">0" test!)
|
---|
1930 | helper.CopyVector(candidate1->BaseLine->endpoints[0]->node->node);
|
---|
1931 | helper.SubtractVector(candidate1->point->node);
|
---|
1932 | OrthogonalVector.CopyVector(&helper);
|
---|
1933 | helper.VectorProduct(&BaseLineVector);
|
---|
1934 | OrthogonalVector.SubtractVector(&helper);
|
---|
1935 | OrthogonalVector.Normalize();
|
---|
1936 |
|
---|
1937 | // calculate both angles and correct with in-plane vector
|
---|
1938 | helper.CopyVector(candidate1->point->node);
|
---|
1939 | helper.SubtractVector(candidate1->BaseLine->endpoints[0]->node->node);
|
---|
1940 | double phi = BaseLineVector.Angle(&helper);
|
---|
1941 | if (OrthogonalVector.ScalarProduct(&helper) > 0) {
|
---|
1942 | phi = 2.*M_PI - phi;
|
---|
1943 | }
|
---|
1944 | helper.CopyVector(candidate2->point->node);
|
---|
1945 | helper.SubtractVector(candidate1->BaseLine->endpoints[0]->node->node);
|
---|
1946 | double psi = BaseLineVector.Angle(&helper);
|
---|
1947 | if (OrthogonalVector.ScalarProduct(&helper) > 0) {
|
---|
1948 | psi = 2.*M_PI - psi;
|
---|
1949 | }
|
---|
1950 |
|
---|
1951 | cout << Verbose(2) << *candidate1->point << " has angle " << phi << endl;
|
---|
1952 | cout << Verbose(2) << *candidate2->point << " has angle " << psi << endl;
|
---|
1953 |
|
---|
1954 | // return comparison
|
---|
1955 | return phi < psi;
|
---|
1956 | };
|
---|
1957 |
|
---|
1958 |
|
---|
1959 | /**
|
---|
1960 | * Checks whether the provided atom is within the tesselation structure.
|
---|
1961 | *
|
---|
1962 | * @param *Atom of which to check the position
|
---|
1963 | * @param tesselation structure
|
---|
1964 | *
|
---|
1965 | * @return true if the atom is inside the tesselation structure, false otherwise
|
---|
1966 | */
|
---|
1967 | bool IsInnerPoint(TesselPoint *Atom, class Tesselation *Tess, LinkedCell* LC)
|
---|
1968 | {
|
---|
1969 | if (Tess->LinesOnBoundary.begin() == Tess->LinesOnBoundary.end()) {
|
---|
1970 | cout << Verbose(0) << "Error: There is no tesselation structure to compare the point with, "
|
---|
1971 | << "please create one first.";
|
---|
1972 | exit(1);
|
---|
1973 | }
|
---|
1974 |
|
---|
1975 | class TesselPoint *trianglePoints[3];
|
---|
1976 | trianglePoints[0] = findClosestAtom(Atom, LC);
|
---|
1977 | // check whether closest atom is "too close" :), then it's inside
|
---|
1978 | if (trianglePoints[0]->node->DistanceSquared(Atom->node) < MYEPSILON)
|
---|
1979 | return true;
|
---|
1980 | list<TesselPoint*> *connectedClosestPoints = Tess->getClosestConnectedAtoms(trianglePoints[0], Atom);
|
---|
1981 | trianglePoints[1] = connectedClosestPoints->front();
|
---|
1982 | trianglePoints[2] = connectedClosestPoints->back();
|
---|
1983 | for (int i=0;i<3;i++) {
|
---|
1984 | if (trianglePoints[i] == NULL) {
|
---|
1985 | cout << Verbose(1) << "IsInnerPoint encounters serious error, point " << i << " not found." << endl;
|
---|
1986 | }
|
---|
1987 |
|
---|
1988 | cout << Verbose(1) << "List of possible atoms:" << endl;
|
---|
1989 | cout << *trianglePoints[i] << endl;
|
---|
1990 |
|
---|
1991 | // for(list<TesselPoint*>::iterator runner = connectedClosestPoints->begin(); runner != connectedClosestPoints->end(); runner++)
|
---|
1992 | // cout << Verbose(2) << *(*runner) << endl;
|
---|
1993 | }
|
---|
1994 | delete(connectedClosestPoints);
|
---|
1995 |
|
---|
1996 | list<BoundaryTriangleSet*> *triangles = Tess->FindTriangles(trianglePoints);
|
---|
1997 |
|
---|
1998 | if (triangles->empty()) {
|
---|
1999 | cout << Verbose(0) << "Error: There is no nearest triangle. Please check the tesselation structure.";
|
---|
2000 | exit(1);
|
---|
2001 | }
|
---|
2002 |
|
---|
2003 | Vector helper;
|
---|
2004 | helper.CopyVector(Atom->node);
|
---|
2005 |
|
---|
2006 | // Only in case of degeneration, there will be two different scalar products.
|
---|
2007 | // If at least one scalar product is positive, the point is considered to be outside.
|
---|
2008 | bool status = (helper.ScalarProduct(&triangles->front()->NormalVector) < 0)
|
---|
2009 | && (helper.ScalarProduct(&triangles->back()->NormalVector) < 0);
|
---|
2010 | delete(triangles);
|
---|
2011 | return status;
|
---|
2012 | }
|
---|
2013 |
|
---|
2014 | /**
|
---|
2015 | * Finds the atom which is closest to the provided one.
|
---|
2016 | *
|
---|
2017 | * @param atom to which to find the closest other atom
|
---|
2018 | * @param linked cell structure
|
---|
2019 | *
|
---|
2020 | * @return atom which is closest to the provided one
|
---|
2021 | */
|
---|
2022 | TesselPoint* findClosestAtom(const TesselPoint* Atom, LinkedCell* LC)
|
---|
2023 | {
|
---|
2024 | LinkedNodes *List = NULL;
|
---|
2025 | TesselPoint* closestAtom = NULL;
|
---|
2026 | double distance = 1e16;
|
---|
2027 | Vector helper;
|
---|
2028 | int N[NDIM], Nlower[NDIM], Nupper[NDIM];
|
---|
2029 |
|
---|
2030 | LC->SetIndexToVector(Atom->node); // ignore status as we calculate bounds below sensibly
|
---|
2031 | for(int i=0;i<NDIM;i++) // store indices of this cell
|
---|
2032 | N[i] = LC->n[i];
|
---|
2033 | //cout << Verbose(2) << "INFO: Center cell is " << N[0] << ", " << N[1] << ", " << N[2] << " with No. " << LC->index << "." << endl;
|
---|
2034 |
|
---|
2035 | LC->GetNeighbourBounds(Nlower, Nupper);
|
---|
2036 | //cout << endl;
|
---|
2037 | for (LC->n[0] = Nlower[0]; LC->n[0] <= Nupper[0]; LC->n[0]++)
|
---|
2038 | for (LC->n[1] = Nlower[1]; LC->n[1] <= Nupper[1]; LC->n[1]++)
|
---|
2039 | for (LC->n[2] = Nlower[2]; LC->n[2] <= Nupper[2]; LC->n[2]++) {
|
---|
2040 | List = LC->GetCurrentCell();
|
---|
2041 | //cout << "The current cell " << LC->n[0] << "," << LC->n[1] << "," << LC->n[2] << endl;
|
---|
2042 | if (List != NULL) {
|
---|
2043 | for (LinkedNodes::iterator Runner = List->begin(); Runner != List->end(); Runner++) {
|
---|
2044 | helper.CopyVector(Atom->node);
|
---|
2045 | helper.SubtractVector((*Runner)->node);
|
---|
2046 | double currentNorm = helper. Norm();
|
---|
2047 | if (currentNorm < distance) {
|
---|
2048 | distance = currentNorm;
|
---|
2049 | closestAtom = (*Runner);
|
---|
2050 | }
|
---|
2051 | }
|
---|
2052 | } else {
|
---|
2053 | cerr << "ERROR: The current cell " << LC->n[0] << "," << LC->n[1] << ","
|
---|
2054 | << LC->n[2] << " is invalid!" << endl;
|
---|
2055 | }
|
---|
2056 | }
|
---|
2057 |
|
---|
2058 | return closestAtom;
|
---|
2059 | }
|
---|
2060 |
|
---|
2061 | /**
|
---|
2062 | * Gets all atoms connected to the provided atom by triangulation lines.
|
---|
2063 | *
|
---|
2064 | * @param atom of which get all connected atoms
|
---|
2065 | * @param atom to be checked whether it is an inner atom
|
---|
2066 | *
|
---|
2067 | * @return list of the two atoms linked to the provided one and closest to the atom to be checked,
|
---|
2068 | */
|
---|
2069 | list<TesselPoint*> * Tesselation::getClosestConnectedAtoms(TesselPoint* Atom, TesselPoint* AtomToCheck)
|
---|
2070 | {
|
---|
2071 | list<TesselPoint*> connectedAtoms;
|
---|
2072 | map<double, TesselPoint*> anglesOfAtoms;
|
---|
2073 | map<double, TesselPoint*>::iterator runner;
|
---|
2074 | LineMap::iterator findLines = LinesOnBoundary.begin();
|
---|
2075 | list<TesselPoint*>::iterator listRunner;
|
---|
2076 | Vector center, planeNorm, currentPoint, OrthogonalVector, helper;
|
---|
2077 | TesselPoint* current;
|
---|
2078 | bool takeAtom = false;
|
---|
2079 |
|
---|
2080 | planeNorm.CopyVector(Atom->node);
|
---|
2081 | planeNorm.SubtractVector(AtomToCheck->node);
|
---|
2082 | planeNorm.Normalize();
|
---|
2083 |
|
---|
2084 | while (findLines != LinesOnBoundary.end()) {
|
---|
2085 | takeAtom = false;
|
---|
2086 |
|
---|
2087 | if (findLines->second->endpoints[0]->Nr == Atom->nr) {
|
---|
2088 | takeAtom = true;
|
---|
2089 | current = findLines->second->endpoints[1]->node;
|
---|
2090 | } else if (findLines->second->endpoints[1]->Nr == Atom->nr) {
|
---|
2091 | takeAtom = true;
|
---|
2092 | current = findLines->second->endpoints[0]->node;
|
---|
2093 | }
|
---|
2094 |
|
---|
2095 | if (takeAtom) {
|
---|
2096 | connectedAtoms.push_back(current);
|
---|
2097 | currentPoint.CopyVector(current->node);
|
---|
2098 | currentPoint.ProjectOntoPlane(&planeNorm);
|
---|
2099 | center.AddVector(¤tPoint);
|
---|
2100 | }
|
---|
2101 |
|
---|
2102 | findLines++;
|
---|
2103 | }
|
---|
2104 |
|
---|
2105 | cout << "Summed vectors " << center << "; number of atoms " << connectedAtoms.size()
|
---|
2106 | << "; scale factor " << 1.0/connectedAtoms.size();
|
---|
2107 |
|
---|
2108 | center.Scale(1.0/connectedAtoms.size());
|
---|
2109 | listRunner = connectedAtoms.begin();
|
---|
2110 |
|
---|
2111 | cout << " calculated center " << center << endl;
|
---|
2112 |
|
---|
2113 | // construct one orthogonal vector
|
---|
2114 | helper.CopyVector(AtomToCheck->node);
|
---|
2115 | helper.ProjectOntoPlane(&planeNorm);
|
---|
2116 | OrthogonalVector.MakeNormalVector(¢er, &helper, (*listRunner)->node);
|
---|
2117 | while (listRunner != connectedAtoms.end()) {
|
---|
2118 | double angle = getAngle(*((*listRunner)->node), *(AtomToCheck->node), center, OrthogonalVector);
|
---|
2119 | cout << "Calculated angle " << angle << " for atom " << **listRunner << endl;
|
---|
2120 | anglesOfAtoms.insert(pair<double, TesselPoint*>(angle, (*listRunner)));
|
---|
2121 | listRunner++;
|
---|
2122 | }
|
---|
2123 |
|
---|
2124 | list<TesselPoint*> *result = new list<TesselPoint*>;
|
---|
2125 | runner = anglesOfAtoms.begin();
|
---|
2126 | cout << "First value is " << *runner->second << endl;
|
---|
2127 | result->push_back(runner->second);
|
---|
2128 | runner = anglesOfAtoms.end();
|
---|
2129 | runner--;
|
---|
2130 | cout << "Second value is " << *runner->second << endl;
|
---|
2131 | result->push_back(runner->second);
|
---|
2132 |
|
---|
2133 | cout << "List of closest atoms has " << result->size() << " elements, which are "
|
---|
2134 | << *(result->front()) << " and " << *(result->back()) << endl;
|
---|
2135 |
|
---|
2136 | return result;
|
---|
2137 | }
|
---|
2138 |
|
---|
2139 | /**
|
---|
2140 | * Finds triangles belonging to the three provided atoms.
|
---|
2141 | *
|
---|
2142 | * @param atom list, is expected to contain three atoms
|
---|
2143 | *
|
---|
2144 | * @return triangles which belong to the provided atoms, will be empty if there are none,
|
---|
2145 | * will usually be one, in case of degeneration, there will be two
|
---|
2146 | */
|
---|
2147 | list<BoundaryTriangleSet*> *Tesselation::FindTriangles(TesselPoint* Points[3])
|
---|
2148 | {
|
---|
2149 | list<BoundaryTriangleSet*> *result = new list<BoundaryTriangleSet*>;
|
---|
2150 | LineMap::iterator FindLine;
|
---|
2151 | PointMap::iterator FindPoint;
|
---|
2152 | TriangleMap::iterator FindTriangle;
|
---|
2153 | class BoundaryPointSet *TrianglePoints[3];
|
---|
2154 |
|
---|
2155 | for (int i = 0; i < 3; i++) {
|
---|
2156 | FindPoint = PointsOnBoundary.find(Points[i]->nr);
|
---|
2157 | if (FindPoint != PointsOnBoundary.end()) {
|
---|
2158 | TrianglePoints[i] = FindPoint->second;
|
---|
2159 | } else {
|
---|
2160 | TrianglePoints[i] = NULL;
|
---|
2161 | }
|
---|
2162 | }
|
---|
2163 |
|
---|
2164 | // checks lines between the points in the Points for their adjacent triangles
|
---|
2165 | for (int i = 0; i < 3; i++) {
|
---|
2166 | if (TrianglePoints[i] != NULL) {
|
---|
2167 | for (int j = i; j < 3; j++) {
|
---|
2168 | if (TrianglePoints[j] != NULL) {
|
---|
2169 | FindLine = TrianglePoints[i]->lines.find(TrianglePoints[j]->node->nr);
|
---|
2170 | if (FindLine != TrianglePoints[i]->lines.end()) {
|
---|
2171 | for (; FindLine->first == TrianglePoints[j]->node->nr; FindLine++) {
|
---|
2172 | FindTriangle = FindLine->second->triangles.begin();
|
---|
2173 | for (; FindTriangle != FindLine->second->triangles.end(); FindTriangle++) {
|
---|
2174 | if ((
|
---|
2175 | (FindTriangle->second->endpoints[0] == TrianglePoints[0])
|
---|
2176 | || (FindTriangle->second->endpoints[0] == TrianglePoints[1])
|
---|
2177 | || (FindTriangle->second->endpoints[0] == TrianglePoints[2])
|
---|
2178 | ) && (
|
---|
2179 | (FindTriangle->second->endpoints[1] == TrianglePoints[0])
|
---|
2180 | || (FindTriangle->second->endpoints[1] == TrianglePoints[1])
|
---|
2181 | || (FindTriangle->second->endpoints[1] == TrianglePoints[2])
|
---|
2182 | ) && (
|
---|
2183 | (FindTriangle->second->endpoints[2] == TrianglePoints[0])
|
---|
2184 | || (FindTriangle->second->endpoints[2] == TrianglePoints[1])
|
---|
2185 | || (FindTriangle->second->endpoints[2] == TrianglePoints[2])
|
---|
2186 | )
|
---|
2187 | ) {
|
---|
2188 | result->push_back(FindTriangle->second);
|
---|
2189 | }
|
---|
2190 | }
|
---|
2191 | }
|
---|
2192 | // Is it sufficient to consider one of the triangle lines for this.
|
---|
2193 | return result;
|
---|
2194 |
|
---|
2195 | }
|
---|
2196 | }
|
---|
2197 | }
|
---|
2198 | }
|
---|
2199 | }
|
---|
2200 |
|
---|
2201 | return result;
|
---|
2202 | }
|
---|
2203 |
|
---|
2204 | /**
|
---|
2205 | * Gets the angle between a point and a reference relative to the provided center.
|
---|
2206 | *
|
---|
2207 | * @param point to calculate the angle for
|
---|
2208 | * @param reference to which to calculate the angle
|
---|
2209 | * @param center for which to calculate the angle between the vectors
|
---|
2210 | * @param OrthogonalVector helps discern between [0,pi] and [pi,2pi] in acos()
|
---|
2211 | *
|
---|
2212 | * @return angle between point and reference
|
---|
2213 | */
|
---|
2214 | double getAngle(Vector point, Vector reference, Vector center, Vector OrthogonalVector)
|
---|
2215 | {
|
---|
2216 | Vector ReferenceVector, helper;
|
---|
2217 | cout << Verbose(2) << reference << " is our reference " << endl;
|
---|
2218 | cout << Verbose(2) << center << " is our center " << endl;
|
---|
2219 | // create baseline vector
|
---|
2220 | ReferenceVector.CopyVector(&reference);
|
---|
2221 | ReferenceVector.SubtractVector(¢er);
|
---|
2222 | if (ReferenceVector.IsNull())
|
---|
2223 | return M_PI;
|
---|
2224 |
|
---|
2225 | // calculate both angles and correct with in-plane vector
|
---|
2226 | helper.CopyVector(&point);
|
---|
2227 | helper.SubtractVector(¢er);
|
---|
2228 | if (helper.IsNull())
|
---|
2229 | return M_PI;
|
---|
2230 | double phi = ReferenceVector.Angle(&helper);
|
---|
2231 | if (OrthogonalVector.ScalarProduct(&helper) > 0) {
|
---|
2232 | phi = 2.*M_PI - phi;
|
---|
2233 | }
|
---|
2234 |
|
---|
2235 | cout << Verbose(2) << point << " has angle " << phi << endl;
|
---|
2236 |
|
---|
2237 | return phi;
|
---|
2238 | }
|
---|
2239 |
|
---|
2240 | /**
|
---|
2241 | * Checks whether the provided point is within the tesselation structure.
|
---|
2242 | *
|
---|
2243 | * This is a wrapper function for IsInnerAtom, so it can be used with a simple
|
---|
2244 | * vector, too.
|
---|
2245 | *
|
---|
2246 | * @param point of which to check the position
|
---|
2247 | * @param tesselation structure
|
---|
2248 | *
|
---|
2249 | * @return true if the point is inside the tesselation structure, false otherwise
|
---|
2250 | */
|
---|
2251 | bool IsInnerPoint(Vector Point, class Tesselation *Tess, LinkedCell* LC)
|
---|
2252 | {
|
---|
2253 | TesselPoint *temp_atom = new TesselPoint;
|
---|
2254 | bool status = false;
|
---|
2255 | temp_atom->node->CopyVector(&Point);
|
---|
2256 |
|
---|
2257 | status = IsInnerPoint(temp_atom, Tess, LC);
|
---|
2258 | delete(temp_atom);
|
---|
2259 |
|
---|
2260 | return status;
|
---|
2261 | }
|
---|
2262 |
|
---|