Changes in src/vector.cpp [d4c9ae:ccf826]

File:

• src/vector.cpp (modified) (5 diffs)

src/vector.cpp

@@ -213 +213 @@
 {
   Vector tmp;
-  tmp[0] = x[1]* (y[2]) - x[2]* (y[1]);
-  tmp[1] = x[2]* (y[0]) - x[0]* (y[2]);
-  tmp[2] = x[0]* (y[1]) - x[1]* (y[0]);
+  tmp[0] = x[1]* y[2] - x[2]* y[1];
+  tmp[1] = x[2]* y[0] - x[0]* y[2];
+  tmp[2] = x[0]* y[1] - x[1]* y[0];
   (*this) = tmp;
 };
@@ -232 +232 @@
   *this -= tmp;
 };
-
-/** Calculates the minimum distance vector of this vector to the plane.
- * \param *out output stream for debugging
- * \param *PlaneNormal normal of plane
- * \param *PlaneOffset offset of plane
- * \return distance to plane
- * \return distance vector onto to plane
- */
-Vector Vector::GetDistanceVectorToPlane(const Vector &PlaneNormal, const Vector &PlaneOffset) const
-{
-  Vector temp = (*this) - PlaneOffset;
-  temp.MakeNormalTo(PlaneNormal);
-  temp.Scale(-1.);
-  // then add connecting vector from plane to point
-  temp += (*this)-PlaneOffset;
-  double sign = temp.ScalarProduct(PlaneNormal);
-  if (fabs(sign) > MYEPSILON)
-    sign /= fabs(sign);
-  else
-    sign = 0.;
-
-  temp.Normalize();
-  temp.Scale(sign);
-  return temp;
-};
-
 
 /** Calculates the minimum distance of this vector to the plane.
@@ -551 +525 @@
   MatrixMultiplication(M);
 };
+
+std::pair<Vector,Vector> Vector::partition(const Vector &rhs) const{
+  double factor = ScalarProduct(rhs)/rhs.NormSquared();
+  Vector res= factor * rhs;
+  return make_pair(res,(*this)-res);
+}
+
+std::pair<pointset,Vector> Vector::partition(const pointset &points) const{
+  Vector helper = *this;
+  pointset res;
+  for(pointset::const_iterator iter=points.begin();iter!=points.end();++iter){
+    pair<Vector,Vector> currPart = helper.partition(*iter);
+    res.push_back(currPart.first);
+    helper = currPart.second;
+  }
+  return make_pair(res,helper);
+}
 
 /** Do a matrix multiplication.
@@ -611 +602 @@
 };
 
-/** Mirrors atom against a given plane.
- * \param n[] normal vector of mirror plane.
- */
-void Vector::Mirror(const Vector &n)
-{
-  double projection;
-  projection = ScalarProduct(n)/n.NormSquared();    // remove constancy from n (keep as logical one)
-  // withdraw projected vector twice from original one
-  for (int i=NDIM;i--;)
-    at(i) -= 2.*projection*n[i];
-};
-
 /** Calculates orthonormal vector to one given vectors.
  * Just subtracts the projection onto the given vector from this vector.
@@ -633 +612 @@
   bool result = false;
   double factor = y1.ScalarProduct(*this)/y1.NormSquared();
-  Vector x1;
-  x1 = factor * y1;
+  Vector x1 = factor * y1;
   SubtractVector(x1);
   for (int i=NDIM;i--;)