Changeset da5c7c for molecuilder/src/vector.cpp

Timestamp:

Jul 28, 2009, 1:01:15 PM (16 years ago)

Author:

Frederik Heber <heber@…>

Children:

3dc682

Parents:

78b45a

Message:

New function Vector::NormSquared() and Angle checks whether Norm's are unequal to zero.

• New function Vector::NormSquared() calculates norm squared
• Vector::Angle() checks whether the norms of the vectors are not zero, otherwise returning M_PI

File:

• molecuilder/src/vector.cpp (modified) (2 diffs)

molecuilder/src/vector.cpp

@@ -216 +216 @@
 };
 
+/** Calculates squared norm of this vector.
+ * \return \f$|x|^2\f$
+ */
+double Vector::NormSquared() const
+{
+  return (ScalarProduct(this));
+};
+
 /** Normalizes this vector.
  */
@@ -259 +267 @@
 double Vector::Angle(const Vector *y) const
 {
-  double angle = this->ScalarProduct(y)/Norm()/y->Norm();
+  double norm1 = Norm(), norm2 = y->Norm();
+  double angle = 1;
+  if ((fabs(norm1) > MYEPSILON) && (fabs(norm2) > MYEPSILON))
+    angle = this->ScalarProduct(y)/norm1/norm2;
   // -1-MYEPSILON occured due to numerical imprecision, catch ...
   //cout << Verbose(2) << "INFO: acos(-1) = " << acos(-1) << ", acos(-1+MYEPSILON) = " << acos(-1+MYEPSILON) << ", acos(-1-MYEPSILON) = " << acos(-1-MYEPSILON) << "." << endl;