Changeset 8f8621 for molecuilder/src/boundary.cpp
- Timestamp:
- Aug 6, 2008, 9:02:01 AM (17 years ago)
- Children:
- 67f102
- Parents:
- 0a08df
- File:
-
- 1 edited
-
molecuilder/src/boundary.cpp (modified) (8 diffs)
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molecuilder/src/boundary.cpp
r0a08df r8f8621 151 151 }; 152 152 153 void BoundaryTriangleSet::GetNormalVector( vector &NormalVector)153 void BoundaryTriangleSet::GetNormalVector(Vector &NormalVector) 154 154 { 155 155 // get normal vector … … 211 211 Boundaries *BoundaryPoints = new Boundaries [NDIM]; // first is alpha, second is (r, nr) 212 212 BoundariesTestPair BoundaryTestPair; 213 vector AxisVector, AngleReferenceVector, AngleReferenceNormalVector;213 Vector AxisVector, AngleReferenceVector, AngleReferenceNormalVector; 214 214 double radius, angle; 215 215 // 3a. Go through every axis … … 233 233 while (Walker->next != mol->end) { 234 234 Walker = Walker->next; 235 vector ProjectedVector;235 Vector ProjectedVector; 236 236 ProjectedVector.CopyVector(&Walker->x); 237 237 ProjectedVector.ProjectOntoPlane(&AxisVector); … … 316 316 // construct the vector of each side of the triangle on the projected plane (defined by normal vector AxisVector) 317 317 { 318 vector SideA, SideB, SideC, SideH;318 Vector SideA, SideB, SideC, SideH; 319 319 SideA.CopyVector(&left->second.second->x); 320 320 SideA.ProjectOntoPlane(&AxisVector); … … 394 394 GreatestDiameter[i] = 0.; 395 395 double OldComponent, tmp, w1, w2; 396 vector DistanceVector, OtherVector;396 Vector DistanceVector, OtherVector; 397 397 int component, Othercomponent; 398 398 for(int axis=0;axis<NDIM;axis++) { // regard each projected plane … … 470 470 double PyramidVolume = 0.; 471 471 double G,h; 472 vector x,y;472 Vector x,y; 473 473 double a,b,c; 474 474 475 475 // 1. calculate center of gravity 476 476 *out << endl; 477 vector *CenterOfGravity = mol->DetermineCenterOfGravity(out);477 Vector *CenterOfGravity = mol->DetermineCenterOfGravity(out); 478 478 479 479 // 2. translate all points into CoG … … 578 578 clustervolume = ClusterVolume; 579 579 double *GreatestDiameter = GetDiametersOfCluster(out, BoundaryPoints, mol, IsAngstroem); 580 vector BoxLengths;580 Vector BoxLengths; 581 581 int repetition[NDIM] = {1, 1, 1}; 582 582 int TotalNoClusters = 1; … … 755 755 class BoundaryPointSet *peak = NULL; 756 756 double SmallestAngle, TempAngle; 757 vector NormalVector, VirtualNormalVector, CenterVector, TempVector, PropagationVector;757 Vector NormalVector, VirtualNormalVector, CenterVector, TempVector, PropagationVector; 758 758 LineMap::iterator LineChecker[2]; 759 759 do {
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