Changeset da84d6 for molecuilder/src/vector.hpp

Timestamp:

Aug 18, 2009, 8:48:06 AM (16 years ago)

Author:

Frederik Heber <heber@…>

Children:

66ce7a

Parents:

3de1d2

git-author:

Frederik Heber <heber@…> (08/18/09 08:38:46)

git-committer:

Frederik Heber <heber@…> (08/18/09 08:48:06)

Message:

Incorporation of Unit test on class Vector.

• new file leastsquaremin.[ch]pp has least square minimisation which is otherwise unclean between classes molecules and Vector

Unit test (later tests rely on good results of earlier ones)

• incorporation of cppunit into configure.ac and Makefile.am of molecuilder/src
• UnityTest: test IsZero and IsOne
• SimpleAlgebraTest: tests algebra
• OperatorAlgebraTest: tests algebra with operator implementations
• EuclidianTest: tests norms and distances

changes to class Vector:

• Vector::IsNull() -> IsZero()
• new function Vector::IsOne() similar to IsZero()
• BUGFIX: Vector::IsNULL() (thx to unit test :)

• Tesselation::getAngle() changed due to above rename

File:

• molecuilder/src/vector.hpp (modified) (3 diffs)

molecuilder/src/vector.hpp

@@ -5 +5 @@
 
 #include "helpers.hpp"
+
+#include <gsl/gsl_vector.h>
+#include <gsl/gsl_multimin.h>
 
 class Vector;
@@ -28 +31 @@
   double NormSquared() const;
   double Angle(const Vector *y) const;
-  bool IsNull() const;
+  bool IsZero() const;
+  bool IsOne() const;
 
   void AddVector(const Vector *y);
@@ -64 +68 @@
 
 ostream & operator << (ostream& ost, const Vector &m);
-//Vector& operator+=(Vector& a, const Vector& b);
-//Vector& operator*=(Vector& a, const double m);
-//Vector& operator*(const Vector& a, const double m);
-//Vector& operator+(const Vector& a, const Vector& b);
+Vector& operator+=(Vector& a, const Vector& b);
+Vector& operator-=(Vector& a, const Vector& b);
+Vector& operator*=(Vector& a, const double m);
+Vector& operator*(const Vector& a, const double m);
+Vector& operator*(const double m, const Vector& a);
+Vector& operator+(const Vector& a, const Vector& b);
+Vector& operator-(const Vector& a, const Vector& b);
+
+// some algebraic matrix stuff
+#define RDET3(a) ((a)[0]*(a)[4]*(a)[8] + (a)[3]*(a)[7]*(a)[2] + (a)[6]*(a)[1]*(a)[5] - (a)[2]*(a)[4]*(a)[6] - (a)[5]*(a)[7]*(a)[0] - (a)[8]*(a)[1]*(a)[3])  //!< hard-coded determinant of a 3x3 matrix
+#define RDET2(a0,a1,a2,a3) ((a0)*(a3)-(a1)*(a2))                      //!< hard-coded determinant of a 2x2 matrix
+
+
 
 #endif /*VECTOR_HPP_*/