Changes in src/tesselation.cpp [b32dbb:27ac00]

File:

• src/tesselation.cpp (modified) (19 diffs)

src/tesselation.cpp

@@ -17 +17 @@
 #include "triangleintersectionlist.hpp"
 #include "vector.hpp"
+#include "Line.hpp"
 #include "vector_ops.hpp"
 #include "verbose.hpp"
@@ -229 +230 @@
 {
   Info FunctionInfo(__func__);
-  double angle = CalculateConvexity();
-  if (angle > -MYEPSILON) {
-    DoLog(0) && (Log() << Verbose(0) << "ACCEPT: Angle is greater than pi: convex." << endl);
-    return true;
-  } else {
-    DoLog(0) && (Log() << Verbose(0) << "REJECT: Angle is less than pi: concave." << endl);
-    return false;
-  }
-}
-
-
-/** Calculates the angle between two triangles with respect to their normal vector.
- * We sum the two angles of each height vector with respect to the center of the baseline.
- * \return angle > 0 then convex, if < 0 then concave
- */
-double BoundaryLineSet::CalculateConvexity() const
-{
-  Info FunctionInfo(__func__);
   Vector BaseLineCenter, BaseLineNormal, BaseLine, helper[2], NormalCheck;
   // get the two triangles
@@ -295 +278 @@
   BaseLineNormal.Scale(-1.);
   double angle = GetAngle(helper[0], helper[1], BaseLineNormal);
-  return (angle - M_PI);
+  if ((angle - M_PI) > -MYEPSILON) {
+    DoLog(0) && (Log() << Verbose(0) << "ACCEPT: Angle is greater than pi: convex." << endl);
+    return true;
+  } else {
+    DoLog(0) && (Log() << Verbose(0) << "REJECT: Angle is less than pi: concave." << endl);
+    return false;
+  }
 }
 
@@ -314 +303 @@
 /** Returns other endpoint of the line.
  * \param *point other endpoint
- * \return NULL - if endpoint not contained in BoundaryLineSet::lines, or pointer to BoundaryPointSet otherwise
+ * \return NULL - if endpoint not contained in BoundaryLineSet, or pointer to BoundaryPointSet otherwise
  */
 class BoundaryPointSet *BoundaryLineSet::GetOtherEndpoint(const BoundaryPointSet * const point) const
@@ -325 +314 @@
   else
     return NULL;
-}
-;
-
-/** Returns other triangle of the line.
- * \param *point other endpoint
- * \return NULL - if triangle not contained in BoundaryLineSet::triangles, or pointer to BoundaryTriangleSet otherwise
- */
-class BoundaryTriangleSet *BoundaryLineSet::GetOtherTriangle(const BoundaryTriangleSet * const triangle) const
-{
-  Info FunctionInfo(__func__);
-  if (triangles.size() == 2) {
-    for (TriangleMap::const_iterator TriangleRunner = triangles.begin(); TriangleRunner != triangles.end(); ++TriangleRunner)
-      if (TriangleRunner->second != triangle)
-        return TriangleRunner->second;
-  }
-  return NULL;
 }
 ;
@@ -469 +442 @@
 
   try {
-    *Intersection = Plane(NormalVector, *(endpoints[0]->node->node)).GetIntersection(*MolCenter, *x);
-  }
-  catch (LinearDependenceException &excp) {
-    Log() << Verbose(1) << excp;
-    DoeLog(1) && (eLog() << Verbose(1) << "Alas! Intersection with plane failed - at least numerically - the intersection is not on the plane!" << endl);
-    return false;
-  }
-
-  DoLog(1) && (Log() << Verbose(1) << "INFO: Triangle is " << *this << "." << endl);
-  DoLog(1) && (Log() << Verbose(1) << "INFO: Line is from " << *MolCenter << " to " << *x << "." << endl);
-  DoLog(1) && (Log() << Verbose(1) << "INFO: Intersection is " << *Intersection << "." << endl);
-
-  if (Intersection->DistanceSquared(*endpoints[0]->node->node) < MYEPSILON) {
-    DoLog(1) && (Log() << Verbose(1) << "Intersection coindices with first endpoint." << endl);
-    return true;
-  }   else if (Intersection->DistanceSquared(*endpoints[1]->node->node) < MYEPSILON) {
-    DoLog(1) && (Log() << Verbose(1) << "Intersection coindices with second endpoint." << endl);
-    return true;
-  }   else if (Intersection->DistanceSquared(*endpoints[2]->node->node) < MYEPSILON) {
-    DoLog(1) && (Log() << Verbose(1) << "Intersection coindices with third endpoint." << endl);
-    return true;
-  }
-  // Calculate cross point between one baseline and the line from the third endpoint to intersection
-  int i = 0;
-  do {
-    try {
-      CrossPoint = GetIntersectionOfTwoLinesOnPlane(*(endpoints[i%3]->node->node),
-                                                    *(endpoints[(i+1)%3]->node->node),
-                                                    *(endpoints[(i+2)%3]->node->node),
-                                                    *Intersection);
+    Line centerLine = makeLineThrough(*MolCenter, *x);
+    *Intersection = Plane(NormalVector, *(endpoints[0]->node->node)).GetIntersection(centerLine);
+
+    DoLog(1) && (Log() << Verbose(1) << "INFO: Triangle is " << *this << "." << endl);
+    DoLog(1) && (Log() << Verbose(1) << "INFO: Line is from " << *MolCenter << " to " << *x << "." << endl);
+    DoLog(1) && (Log() << Verbose(1) << "INFO: Intersection is " << *Intersection << "." << endl);
+
+    if (Intersection->DistanceSquared(*endpoints[0]->node->node) < MYEPSILON) {
+      DoLog(1) && (Log() << Verbose(1) << "Intersection coindices with first endpoint." << endl);
+      return true;
+    }   else if (Intersection->DistanceSquared(*endpoints[1]->node->node) < MYEPSILON) {
+      DoLog(1) && (Log() << Verbose(1) << "Intersection coindices with second endpoint." << endl);
+      return true;
+    }   else if (Intersection->DistanceSquared(*endpoints[2]->node->node) < MYEPSILON) {
+      DoLog(1) && (Log() << Verbose(1) << "Intersection coindices with third endpoint." << endl);
+      return true;
+    }
+    // Calculate cross point between one baseline and the line from the third endpoint to intersection
+    int i = 0;
+    do {
+      Line line1 = makeLineThrough(*(endpoints[i%3]->node->node),*(endpoints[(i+1)%3]->node->node));
+      Line line2 = makeLineThrough(*(endpoints[(i+2)%3]->node->node),*Intersection);
+      CrossPoint = line1.getIntersection(line2);
       helper = (*endpoints[(i+1)%3]->node->node) - (*endpoints[i%3]->node->node);
       CrossPoint -= (*endpoints[i%3]->node->node);  // cross point was returned as absolute vector
@@ -505 +471 @@
       if ((s < -MYEPSILON) || ((s-1.) > MYEPSILON)) {
         DoLog(1) && (Log() << Verbose(1) << "INFO: Crosspoint " << CrossPoint << "outside of triangle." << endl);
-        i=4;
-        break;
+        return false;
       }
       i++;
-    } catch (LinearDependenceException &excp){
-      break;
-    }
-  } while (i < 3);
-  if (i == 3) {
+    } while (i < 3);
     DoLog(1) && (Log() << Verbose(1) << "INFO: Crosspoint " << CrossPoint << " inside of triangle." << endl);
     return true;
-  } else {
-    DoLog(1) && (Log() << Verbose(1) << "INFO: Crosspoint " << CrossPoint << " outside of triangle." << endl);
+  }
+  catch (MathException &excp) {
+    Log() << Verbose(1) << excp;
+    DoeLog(1) && (eLog() << Verbose(1) << "Alas! Intersection with plane failed - at least numerically - the intersection is not on the plane!" << endl);
     return false;
   }
@@ -544 +507 @@
   GetCenter(&Direction);
   try {
-    *ClosestPoint = Plane(NormalVector, *(endpoints[0]->node->node)).GetIntersection(*x, Direction);
-  }
-  catch (LinearDependenceException &excp) {
+    Line l = makeLineThrough(*x, Direction);
+    *ClosestPoint = Plane(NormalVector, *(endpoints[0]->node->node)).GetIntersection(l);
+  }
+  catch (MathException &excp) {
     (*ClosestPoint) = (*x);
   }
@@ -569 +533 @@
     Direction = (*endpoints[(i+1)%3]->node->node) - (*endpoints[i%3]->node->node);
     // calculate intersection, line can never be parallel to Direction (is the same vector as PlaneNormal);
-    CrossPoint[i] = Plane(Direction, InPlane).GetIntersection(*(endpoints[i%3]->node->node), *(endpoints[(i+1)%3]->node->node));
+    Line l = makeLineThrough(*(endpoints[i%3]->node->node), *(endpoints[(i+1)%3]->node->node));
+    CrossPoint[i] = Plane(Direction, InPlane).GetIntersection(l);
     CrossDirection[i] = CrossPoint[i] - InPlane;
     CrossPoint[i] -= (*endpoints[i%3]->node->node);  // cross point was returned as absolute vector
@@ -697 +662 @@
 ;
 
-/** Returns the baseline which does not contain the given boundary point \a *point.
- * \param *point endpoint which is neither endpoint of the desired line
- * \return pointer to desired third baseline
- */
-class BoundaryLineSet *BoundaryTriangleSet::GetThirdLine(const BoundaryPointSet * const point) const
-{
-  Info FunctionInfo(__func__);
-  // sanity check
-  if (!ContainsBoundaryPoint(point))
-    return NULL;
-  for (int i = 0; i < 3; i++)
-    if (!lines[i]->ContainsBoundaryPoint(point))
-      return lines[i];
-  // actually, that' impossible :)
-  return NULL;
-}
-;
-
 /** Calculates the center point of the triangle.
  * Is third of the sum of all endpoints.
@@ -740 +687 @@
 }
 
+Vector BoundaryTriangleSet::getEndpoint(int i) const{
+  ASSERT(i>=0 && i<3,"Index of Endpoint out of Range");
+
+  return *endpoints[i]->node->node;
+}
+
+string BoundaryTriangleSet::getEndpointName(int i) const{
+  ASSERT(i>=0 && i<3,"Index of Endpoint out of Range");
+
+  return endpoints[i]->node->getName();
+}
+
 /** output operator for BoundaryTriangleSet.
  * \param &ost output stream
@@ -746 +705 @@
 ostream &operator <<(ostream &ost, const BoundaryTriangleSet &a)
 {
-  ost << "[" << a.Nr << "|" << a.endpoints[0]->node->getName() << "," << a.endpoints[1]->node->getName() << "," << a.endpoints[2]->node->getName() << "]";
+  ost << "[" << a.Nr << "|" << a.getEndpointName(0) << "," << a.getEndpointName(1) << "," << a.getEndpointName(2) << "]";
   //  ost << "[" << a.Nr << "|" << a.endpoints[0]->node->Name << " at " << *a.endpoints[0]->node->node << ","
   //      << a.endpoints[1]->node->Name << " at " << *a.endpoints[1]->node->node << "," << a.endpoints[2]->node->Name << " at " << *a.endpoints[2]->node->node << "]";
@@ -1152 +1111 @@
     TesselPointList *ListofPoints = LC->GetPointsInsideSphere(RADIUS, (*VRunner));
 
-    DoLog(1) && (Log() << Verbose(1) << "The following atoms are inside sphere at " << (*VRunner) << ":" << endl);
+    DoLog(1) && (Log() << Verbose(1) << "The following atoms are inside sphere at " << OtherOptCenter << ":" << endl);
     for (TesselPointList::const_iterator Runner = ListofPoints->begin(); Runner != ListofPoints->end(); ++Runner)
-      DoLog(1) && (Log() << Verbose(1) << "  " << *(*Runner) << " with distance " << (*Runner)->node->distance(*(*VRunner)) << "." << endl);
+      DoLog(1) && (Log() << Verbose(1) << "  " << *(*Runner) << " with distance " << (*Runner)->node->distance(OtherOptCenter) << "." << endl);
 
     // remove baseline's endpoints and candidates
@@ -1170 +1129 @@
       DoeLog(1) && (eLog() << Verbose(1) << "External atoms inside of sphere at " << *(*VRunner) << ":" << endl);
       for (TesselPointList::const_iterator Runner = ListofPoints->begin(); Runner != ListofPoints->end(); ++Runner)
-        DoeLog(1) && (eLog() << Verbose(1) << "  " << *(*Runner) << " at distance " << setprecision(13) << (*Runner)->node->distance(*(*VRunner)) << setprecision(6) << "." << endl);
-
-      // check with animate_sphere.tcl VMD script
-      if (ThirdPoint != NULL) {
-        DoeLog(1) && (eLog() << Verbose(1) << "Check by: animate_sphere 0 " << BaseLine->endpoints[0]->Nr + 1 << " " << BaseLine->endpoints[1]->Nr + 1 << " " << ThirdPoint->Nr + 1 << " " << RADIUS << " " << OldCenter[0] << " " << OldCenter[1] << " " << OldCenter[2] << " " << (*VRunner)->at(0) << " " << (*VRunner)->at(1) << " " << (*VRunner)->at(2) << endl);
-      } else {
-        DoeLog(1) && (eLog() << Verbose(1) << "Check by: ... missing third point ..." << endl);
-        DoeLog(1) && (eLog() << Verbose(1) << "Check by: animate_sphere 0 " << BaseLine->endpoints[0]->Nr + 1 << " " << BaseLine->endpoints[1]->Nr + 1 << " ??? " << RADIUS << " " << OldCenter[0] << " " << OldCenter[1] << " " << OldCenter[2] << " " << (*VRunner)->at(0) << " " << (*VRunner)->at(1) << " " << (*VRunner)->at(2) << endl);
-      }
+        DoeLog(1) && (eLog() << Verbose(1) << "  " << *(*Runner) << endl);
     }
     delete (ListofPoints);
 
+    // check with animate_sphere.tcl VMD script
+    if (ThirdPoint != NULL) {
+      DoLog(1) && (Log() << Verbose(1) << "Check by: animate_sphere 0 " << BaseLine->endpoints[0]->Nr + 1 << " " << BaseLine->endpoints[1]->Nr + 1 << " " << ThirdPoint->Nr + 1 << " " << RADIUS << " " << OldCenter[0] << " " << OldCenter[1] << " " << OldCenter[2] << " " << (*VRunner)->at(0) << " " << (*VRunner)->at(1) << " " << (*VRunner)->at(2) << endl);
+    } else {
+      DoLog(1) && (Log() << Verbose(1) << "Check by: ... missing third point ..." << endl);
+      DoLog(1) && (Log() << Verbose(1) << "Check by: animate_sphere 0 " << BaseLine->endpoints[0]->Nr + 1 << " " << BaseLine->endpoints[1]->Nr + 1 << " ??? " << RADIUS << " " << OldCenter[0] << " " << OldCenter[1] << " " << OldCenter[2] << " " << (*VRunner)->at(0) << " " << (*VRunner)->at(1) << " " << (*VRunner)->at(2) << endl);
+    }
   }
   return flag;
@@ -1514 +1472 @@
         CenterVector.Zero();
         for (int i = 0; i < 3; i++)
-          CenterVector += (*BTS->endpoints[i]->node->node);
+          CenterVector += BTS->getEndpoint(i);
         CenterVector.Scale(1. / 3.);
         DoLog(2) && (Log() << Verbose(2) << "CenterVector of base triangle is " << CenterVector << endl);
@@ -3360 +3318 @@
                         }
                       } else {
-                        DoeLog(0) && (eLog() << Verbose(1) << "REJECT: Distance to center of circumcircle is not the same from each corner of the triangle: " << fabs(radius - otherradius) << endl);
+                        DoLog(1) && (Log() << Verbose(1) << "REJECT: Distance to center of circumcircle is not the same from each corner of the triangle: " << fabs(radius - otherradius) << endl);
                       }
                     } else {
@@ -4660 +4618 @@
 
   DoLog(0) && (Log() << Verbose(0) << "FindAllDegeneratedTriangles() found " << DegeneratedTriangles->size() << " triangles:" << endl);
-  for (IndexToIndex::iterator it = DegeneratedTriangles->begin(); it != DegeneratedTriangles->end(); it++)
+  IndexToIndex::iterator it;
+  for (it = DegeneratedTriangles->begin(); it != DegeneratedTriangles->end(); it++)
     DoLog(0) && (Log() << Verbose(0) << (*it).first << " => " << (*it).second << endl);
 
@@ -4678 +4637 @@
   int count = 0;
 
-  // iterate over all degenerated triangles
-  for (IndexToIndex::iterator TriangleKeyRunner = DegeneratedTriangles->begin(); !DegeneratedTriangles->empty(); TriangleKeyRunner = DegeneratedTriangles->begin()) {
-    DoLog(0) && (Log() << Verbose(0) << "Checking presence of triangles " << TriangleKeyRunner->first << " and " << TriangleKeyRunner->second << "." << endl);
-    // both ways are stored in the map, only use one
-    if (TriangleKeyRunner->first > TriangleKeyRunner->second)
-      continue;
-
-    // determine from the keys in the map the two _present_ triangles
+  for (IndexToIndex::iterator TriangleKeyRunner = DegeneratedTriangles->begin(); TriangleKeyRunner != DegeneratedTriangles->end(); ++TriangleKeyRunner) {
     finder = TrianglesOnBoundary.find(TriangleKeyRunner->first);
     if (finder != TrianglesOnBoundary.end())
       triangle = finder->second;
     else
-      continue;
+      break;
     finder = TrianglesOnBoundary.find(TriangleKeyRunner->second);
     if (finder != TrianglesOnBoundary.end())
       partnerTriangle = finder->second;
     else
-      continue;
-
-    // determine which lines are shared by the two triangles
+      break;
+
     bool trianglesShareLine = false;
     for (int i = 0; i < 3; ++i)
@@ -4868 +4819 @@
   if (LastTriangle != NULL) {
     stringstream sstr;
-    sstr << "-"<< TrianglesOnBoundary.size() << "-" << LastTriangle->endpoints[0]->node->getName() << "_" << LastTriangle->endpoints[1]->node->getName() << "_" << LastTriangle->endpoints[2]->node->getName();
+    sstr << "-"<< TrianglesOnBoundary.size() << "-" << LastTriangle->getEndpointName(0) << "_" << LastTriangle->getEndpointName(1) << "_" << LastTriangle->getEndpointName(2);
     NumberName = sstr.str();
     if (DoTecplotOutput) {