| 1 | /*
 | 
|---|
| 2 |  * Project: MoleCuilder
 | 
|---|
| 3 |  * Description: creates and alters molecular systems
 | 
|---|
| 4 |  * Copyright (C)  2010-2012 University of Bonn. All rights reserved.
 | 
|---|
| 5 |  * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
 | 
|---|
| 6 |  */
 | 
|---|
| 7 | 
 | 
|---|
| 8 | /*
 | 
|---|
| 9 |  * BoundaryLineSet.cpp
 | 
|---|
| 10 |  *
 | 
|---|
| 11 |  *  Created on: Jul 29, 2010
 | 
|---|
| 12 |  *      Author: heber
 | 
|---|
| 13 |  */
 | 
|---|
| 14 | 
 | 
|---|
| 15 | // include config.h
 | 
|---|
| 16 | #ifdef HAVE_CONFIG_H
 | 
|---|
| 17 | #include <config.h>
 | 
|---|
| 18 | #endif
 | 
|---|
| 19 | 
 | 
|---|
| 20 | #include "CodePatterns/MemDebug.hpp"
 | 
|---|
| 21 | 
 | 
|---|
| 22 | #include "BoundaryLineSet.hpp"
 | 
|---|
| 23 | 
 | 
|---|
| 24 | #include <iostream>
 | 
|---|
| 25 | 
 | 
|---|
| 26 | #include "BoundaryPointSet.hpp"
 | 
|---|
| 27 | #include "BoundaryTriangleSet.hpp"
 | 
|---|
| 28 | #include "Atom/TesselPoint.hpp"
 | 
|---|
| 29 | 
 | 
|---|
| 30 | #include "CodePatterns/Assert.hpp"
 | 
|---|
| 31 | #include "CodePatterns/Info.hpp"
 | 
|---|
| 32 | #include "CodePatterns/Log.hpp"
 | 
|---|
| 33 | #include "CodePatterns/Verbose.hpp"
 | 
|---|
| 34 | #include "tesselationhelpers.hpp"
 | 
|---|
| 35 | #include "LinearAlgebra/Vector.hpp"
 | 
|---|
| 36 | 
 | 
|---|
| 37 | using namespace std;
 | 
|---|
| 38 | 
 | 
|---|
| 39 | /** Constructor of BoundaryLineSet.
 | 
|---|
| 40 |  */
 | 
|---|
| 41 | BoundaryLineSet::BoundaryLineSet() :
 | 
|---|
| 42 |   Nr(-1)
 | 
|---|
| 43 | {
 | 
|---|
| 44 |   //Info FunctionInfo(__func__);
 | 
|---|
| 45 |   for (int i = 0; i < 2; i++)
 | 
|---|
| 46 |     endpoints[i] = NULL;
 | 
|---|
| 47 | }
 | 
|---|
| 48 | ;
 | 
|---|
| 49 | 
 | 
|---|
| 50 | /** Constructor of BoundaryLineSet with two endpoints.
 | 
|---|
| 51 |  * Adds line automatically to each endpoints' LineMap
 | 
|---|
| 52 |  * \param *Point[2] array of two boundary points
 | 
|---|
| 53 |  * \param number number of the list
 | 
|---|
| 54 |  */
 | 
|---|
| 55 | BoundaryLineSet::BoundaryLineSet(BoundaryPointSet * const Point[2], const int number)
 | 
|---|
| 56 | {
 | 
|---|
| 57 |   //Info FunctionInfo(__func__);
 | 
|---|
| 58 |   // set number
 | 
|---|
| 59 |   Nr = number;
 | 
|---|
| 60 |   // set endpoints in ascending order
 | 
|---|
| 61 |   SetEndpointsOrdered(endpoints, Point[0], Point[1]);
 | 
|---|
| 62 |   // add this line to the hash maps of both endpoints
 | 
|---|
| 63 |   Point[0]->AddLine(this); //Taken out, to check whether we can avoid unwanted double adding.
 | 
|---|
| 64 |   Point[1]->AddLine(this); //
 | 
|---|
| 65 |   // set skipped to false
 | 
|---|
| 66 |   skipped = false;
 | 
|---|
| 67 |   // clear triangles list
 | 
|---|
| 68 |   LOG(5, "DEBUG: New Line with endpoints " << *this << ".");
 | 
|---|
| 69 | }
 | 
|---|
| 70 | ;
 | 
|---|
| 71 | 
 | 
|---|
| 72 | /** Constructor of BoundaryLineSet with two endpoints.
 | 
|---|
| 73 |  * Adds line automatically to each endpoints' LineMap
 | 
|---|
| 74 |  * \param *Point1 first boundary point
 | 
|---|
| 75 |  * \param *Point2 second boundary point
 | 
|---|
| 76 |  * \param number number of the list
 | 
|---|
| 77 |  */
 | 
|---|
| 78 | BoundaryLineSet::BoundaryLineSet(BoundaryPointSet * const Point1, BoundaryPointSet * const Point2, const int number) :
 | 
|---|
| 79 |   Nr(number),
 | 
|---|
| 80 |   skipped(false)
 | 
|---|
| 81 | {
 | 
|---|
| 82 |   //Info FunctionInfo(__func__);
 | 
|---|
| 83 |   // set endpoints in ascending order
 | 
|---|
| 84 |   SetEndpointsOrdered(endpoints, Point1, Point2);
 | 
|---|
| 85 |   // add this line to the hash maps of both endpoints
 | 
|---|
| 86 |   Point1->AddLine(this); //Taken out, to check whether we can avoid unwanted double adding.
 | 
|---|
| 87 |   Point2->AddLine(this); //
 | 
|---|
| 88 |   // clear triangles list
 | 
|---|
| 89 |   LOG(5, "DEBUG: New Line with endpoints " << *this << ".");
 | 
|---|
| 90 | }
 | 
|---|
| 91 | ;
 | 
|---|
| 92 | 
 | 
|---|
| 93 | /** Destructor for BoundaryLineSet.
 | 
|---|
| 94 |  * Removes itself from each endpoints' LineMap, calling RemoveTrianglePoint() when point not connected anymore.
 | 
|---|
| 95 |  * \note When removing lines from a class Tesselation, use RemoveTesselationLine()
 | 
|---|
| 96 |  */
 | 
|---|
| 97 | BoundaryLineSet::~BoundaryLineSet()
 | 
|---|
| 98 | {
 | 
|---|
| 99 |   //Info FunctionInfo(__func__);
 | 
|---|
| 100 |   int Numbers[2];
 | 
|---|
| 101 | 
 | 
|---|
| 102 |   // get other endpoint number of finding copies of same line
 | 
|---|
| 103 |   if (endpoints[1] != NULL)
 | 
|---|
| 104 |     Numbers[0] = endpoints[1]->Nr;
 | 
|---|
| 105 |   else
 | 
|---|
| 106 |     Numbers[0] = -1;
 | 
|---|
| 107 |   if (endpoints[0] != NULL)
 | 
|---|
| 108 |     Numbers[1] = endpoints[0]->Nr;
 | 
|---|
| 109 |   else
 | 
|---|
| 110 |     Numbers[1] = -1;
 | 
|---|
| 111 | 
 | 
|---|
| 112 |   for (int i = 0; i < 2; i++) {
 | 
|---|
| 113 |     if (endpoints[i] != NULL) {
 | 
|---|
| 114 |       if (Numbers[i] != -1) { // 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
 | 
|---|
| 115 |         pair<LineMap::iterator, LineMap::iterator> erasor = endpoints[i]->lines.equal_range(Numbers[i]);
 | 
|---|
| 116 |         for (LineMap::iterator Runner = erasor.first; Runner != erasor.second; Runner++)
 | 
|---|
| 117 |           if ((*Runner).second == this) {
 | 
|---|
| 118 |             //LOG(0, "Removing Line Nr. " << Nr << " in boundary point " << *endpoints[i] << ".");
 | 
|---|
| 119 |             endpoints[i]->lines.erase(Runner);
 | 
|---|
| 120 |             break;
 | 
|---|
| 121 |           }
 | 
|---|
| 122 |       } else { // there's just a single line left
 | 
|---|
| 123 |         if (endpoints[i]->lines.erase(Nr)) {
 | 
|---|
| 124 |           //LOG(0, "Removing Line Nr. " << Nr << " in boundary point " << *endpoints[i] << ".");
 | 
|---|
| 125 |         }
 | 
|---|
| 126 |       }
 | 
|---|
| 127 |       if (endpoints[i]->lines.empty()) {
 | 
|---|
| 128 |         //LOG(0, *endpoints[i] << " has no more lines it's attached to, erasing.");
 | 
|---|
| 129 |         if (endpoints[i] != NULL) {
 | 
|---|
| 130 |           delete (endpoints[i]);
 | 
|---|
| 131 |           endpoints[i] = NULL;
 | 
|---|
| 132 |         }
 | 
|---|
| 133 |       }
 | 
|---|
| 134 |     }
 | 
|---|
| 135 |   }
 | 
|---|
| 136 |   if (!triangles.empty())
 | 
|---|
| 137 |     ELOG(2, "Memory Leak! I " << *this << " am still connected to some triangles.");
 | 
|---|
| 138 | }
 | 
|---|
| 139 | ;
 | 
|---|
| 140 | 
 | 
|---|
| 141 | /** Add triangle to TriangleMap of this boundary line.
 | 
|---|
| 142 |  * \param *triangle to add
 | 
|---|
| 143 |  */
 | 
|---|
| 144 | void BoundaryLineSet::AddTriangle(BoundaryTriangleSet * const triangle)
 | 
|---|
| 145 | {
 | 
|---|
| 146 |   //Info FunctionInfo(__func__);
 | 
|---|
| 147 |   LOG(5, "DEBUG: Add " << triangle->Nr << " to line " << *this << ".");
 | 
|---|
| 148 |   triangles.insert(TrianglePair(triangle->Nr, triangle));
 | 
|---|
| 149 | }
 | 
|---|
| 150 | ;
 | 
|---|
| 151 | 
 | 
|---|
| 152 | /** Checks whether we have a common endpoint with given \a *line.
 | 
|---|
| 153 |  * \param *line other line to test
 | 
|---|
| 154 |  * \return true - common endpoint present, false - not connected
 | 
|---|
| 155 |  */
 | 
|---|
| 156 | bool BoundaryLineSet::IsConnectedTo(const BoundaryLineSet * const line) const
 | 
|---|
| 157 | {
 | 
|---|
| 158 |   //Info FunctionInfo(__func__);
 | 
|---|
| 159 |   if ((endpoints[0] == line->endpoints[0]) || (endpoints[1] == line->endpoints[0]) || (endpoints[0] == line->endpoints[1]) || (endpoints[1] == line->endpoints[1]))
 | 
|---|
| 160 |     return true;
 | 
|---|
| 161 |   else
 | 
|---|
| 162 |     return false;
 | 
|---|
| 163 | }
 | 
|---|
| 164 | ;
 | 
|---|
| 165 | 
 | 
|---|
| 166 | /** Checks whether the adjacent triangles of a baseline are convex or not.
 | 
|---|
| 167 |  * We sum the two angles of each height vector with respect to the center of the baseline.
 | 
|---|
| 168 |  * If greater/equal M_PI than we are convex.
 | 
|---|
| 169 |  * \param *out output stream for debugging
 | 
|---|
| 170 |  * \return true - triangles are convex, false - concave or less than two triangles connected
 | 
|---|
| 171 |  */
 | 
|---|
| 172 | bool BoundaryLineSet::CheckConvexityCriterion() const
 | 
|---|
| 173 | {
 | 
|---|
| 174 |   //Info FunctionInfo(__func__);
 | 
|---|
| 175 |   double angle = CalculateConvexity();
 | 
|---|
| 176 |   if (angle > -MYEPSILON) {
 | 
|---|
| 177 |     LOG(3, "ACCEPT: Angle is greater than pi: convex.");
 | 
|---|
| 178 |     return true;
 | 
|---|
| 179 |   } else {
 | 
|---|
| 180 |     LOG(3, "REJECT: Angle is less than pi: concave.");
 | 
|---|
| 181 |     return false;
 | 
|---|
| 182 |   }
 | 
|---|
| 183 | }
 | 
|---|
| 184 | 
 | 
|---|
| 185 | 
 | 
|---|
| 186 | /** Calculates the angle between two triangles with respect to their normal vector.
 | 
|---|
| 187 |  * We sum the two angles of each height vector with respect to the center of the baseline.
 | 
|---|
| 188 |  * \return angle > 0 then convex, if < 0 then concave
 | 
|---|
| 189 |  */
 | 
|---|
| 190 | double BoundaryLineSet::CalculateConvexity() const
 | 
|---|
| 191 | {
 | 
|---|
| 192 |   //Info FunctionInfo(__func__);
 | 
|---|
| 193 |   Vector BaseLineCenter, BaseLineNormal, BaseLine, helper[2], NormalCheck;
 | 
|---|
| 194 |   // get the two triangles
 | 
|---|
| 195 |   if (triangles.size() != 2) {
 | 
|---|
| 196 |     ELOG(0, "Baseline " << *this << " is connected to less than two triangles, Tesselation incomplete!");
 | 
|---|
| 197 |     return true;
 | 
|---|
| 198 |   }
 | 
|---|
| 199 |   // check normal vectors
 | 
|---|
| 200 |   // have a normal vector on the base line pointing outwards
 | 
|---|
| 201 |   //LOG(0, "INFO: " << *this << " has vectors at " << *(endpoints[0]->node->node) << " and at " << *(endpoints[1]->node->node) << ".");
 | 
|---|
| 202 |   BaseLineCenter = (1./2.)*((endpoints[0]->node->getPosition()) + (endpoints[1]->node->getPosition()));
 | 
|---|
| 203 |   BaseLine = (endpoints[0]->node->getPosition()) - (endpoints[1]->node->getPosition());
 | 
|---|
| 204 | 
 | 
|---|
| 205 |   //LOG(0, "INFO: Baseline is " << BaseLine << " and its center is at " << BaseLineCenter << ".");
 | 
|---|
| 206 | 
 | 
|---|
| 207 |   BaseLineNormal.Zero();
 | 
|---|
| 208 |   NormalCheck.Zero();
 | 
|---|
| 209 |   double sign = -1.;
 | 
|---|
| 210 |   int i = 0;
 | 
|---|
| 211 |   class BoundaryPointSet *node = NULL;
 | 
|---|
| 212 |   for (TriangleMap::const_iterator runner = triangles.begin(); runner != triangles.end(); runner++) {
 | 
|---|
| 213 |     //LOG(0, "INFO: NormalVector of " << *(runner->second) << " is " << runner->second->NormalVector << ".");
 | 
|---|
| 214 |     NormalCheck += runner->second->NormalVector;
 | 
|---|
| 215 |     NormalCheck *= sign;
 | 
|---|
| 216 |     sign = -sign;
 | 
|---|
| 217 |     if (runner->second->NormalVector.NormSquared() > MYEPSILON)
 | 
|---|
| 218 |       BaseLineNormal = runner->second->NormalVector;   // yes, copy second on top of first
 | 
|---|
| 219 |     else {
 | 
|---|
| 220 |       ELOG(0, "Triangle " << *runner->second << " has zero normal vector!");
 | 
|---|
| 221 |     }
 | 
|---|
| 222 |     node = runner->second->GetThirdEndpoint(this);
 | 
|---|
| 223 |     if (node != NULL) {
 | 
|---|
| 224 |       //LOG(0, "INFO: Third node for triangle " << *(runner->second) << " is " << *node << " at " << *(node->node->node) << ".");
 | 
|---|
| 225 |       helper[i] = (node->node->getPosition()) - BaseLineCenter;
 | 
|---|
| 226 |       helper[i].MakeNormalTo(BaseLine);  // we want to compare the triangle's heights' angles!
 | 
|---|
| 227 |       //LOG(0, "INFO: Height vector with respect to baseline is " << helper[i] << ".");
 | 
|---|
| 228 |       i++;
 | 
|---|
| 229 |     } else {
 | 
|---|
| 230 |       ELOG(1, "I cannot find third node in triangle, something's wrong.");
 | 
|---|
| 231 |       return true;
 | 
|---|
| 232 |     }
 | 
|---|
| 233 |   }
 | 
|---|
| 234 |   //LOG(0, "INFO: BaselineNormal is " << BaseLineNormal << ".");
 | 
|---|
| 235 |   if (NormalCheck.NormSquared() < MYEPSILON) {
 | 
|---|
| 236 |     LOG(3, "ACCEPT: Normalvectors of both triangles are the same: convex.");
 | 
|---|
| 237 |     return true;
 | 
|---|
| 238 |   }
 | 
|---|
| 239 |   BaseLineNormal.Scale(-1.);
 | 
|---|
| 240 |   double angle = GetAngle(helper[0], helper[1], BaseLineNormal);
 | 
|---|
| 241 |   return (angle - M_PI);
 | 
|---|
| 242 | }
 | 
|---|
| 243 | 
 | 
|---|
| 244 | /** Checks whether point is any of the two endpoints this line contains.
 | 
|---|
| 245 |  * \param *point point to test
 | 
|---|
| 246 |  * \return true - point is of the line, false - is not
 | 
|---|
| 247 |  */
 | 
|---|
| 248 | bool BoundaryLineSet::ContainsBoundaryPoint(const BoundaryPointSet * const point) const
 | 
|---|
| 249 | {
 | 
|---|
| 250 |   //Info FunctionInfo(__func__);
 | 
|---|
| 251 |   for (int i = 0; i < 2; i++)
 | 
|---|
| 252 |     if (point == endpoints[i])
 | 
|---|
| 253 |       return true;
 | 
|---|
| 254 |   return false;
 | 
|---|
| 255 | }
 | 
|---|
| 256 | ;
 | 
|---|
| 257 | 
 | 
|---|
| 258 | /** Returns other endpoint of the line.
 | 
|---|
| 259 |  * \param *point other endpoint
 | 
|---|
| 260 |  * \return NULL - if endpoint not contained in BoundaryLineSet::lines, or pointer to BoundaryPointSet otherwise
 | 
|---|
| 261 |  */
 | 
|---|
| 262 | class BoundaryPointSet *BoundaryLineSet::GetOtherEndpoint(const BoundaryPointSet * const point) const
 | 
|---|
| 263 | {
 | 
|---|
| 264 |   //Info FunctionInfo(__func__);
 | 
|---|
| 265 |   if (endpoints[0] == point)
 | 
|---|
| 266 |     return endpoints[1];
 | 
|---|
| 267 |   else if (endpoints[1] == point)
 | 
|---|
| 268 |     return endpoints[0];
 | 
|---|
| 269 |   else
 | 
|---|
| 270 |     return NULL;
 | 
|---|
| 271 | }
 | 
|---|
| 272 | ;
 | 
|---|
| 273 | 
 | 
|---|
| 274 | /** Returns other triangle of the line.
 | 
|---|
| 275 |  * \param *point other endpoint
 | 
|---|
| 276 |  * \return NULL - if triangle not contained in BoundaryLineSet::triangles, or pointer to BoundaryTriangleSet otherwise
 | 
|---|
| 277 |  */
 | 
|---|
| 278 | class BoundaryTriangleSet *BoundaryLineSet::GetOtherTriangle(const BoundaryTriangleSet * const triangle) const
 | 
|---|
| 279 | {
 | 
|---|
| 280 |   //Info FunctionInfo(__func__);
 | 
|---|
| 281 |   if (triangles.size() == 2) {
 | 
|---|
| 282 |     for (TriangleMap::const_iterator TriangleRunner = triangles.begin(); TriangleRunner != triangles.end(); ++TriangleRunner)
 | 
|---|
| 283 |       if (TriangleRunner->second != triangle)
 | 
|---|
| 284 |         return TriangleRunner->second;
 | 
|---|
| 285 |   }
 | 
|---|
| 286 |   return NULL;
 | 
|---|
| 287 | }
 | 
|---|
| 288 | ;
 | 
|---|
| 289 | 
 | 
|---|
| 290 | /** output operator for BoundaryLineSet.
 | 
|---|
| 291 |  * \param &ost output stream
 | 
|---|
| 292 |  * \param &a boundary line
 | 
|---|
| 293 |  */
 | 
|---|
| 294 | ostream & operator <<(ostream &ost, const BoundaryLineSet &a)
 | 
|---|
| 295 | {
 | 
|---|
| 296 |   ost << "[" << a.Nr << "|" << a.endpoints[0]->node->getName() << " at " << a.endpoints[0]->node->getPosition() << "," << a.endpoints[1]->node->getName() << " at " << a.endpoints[1]->node->getPosition() << "]";
 | 
|---|
| 297 |   return ost;
 | 
|---|
| 298 | }
 | 
|---|
| 299 | ;
 | 
|---|