Changeset da84d6 for molecuilder/src/tesselation.cpp

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/tesselation.cpp (modified) (1 diff)

molecuilder/src/tesselation.cpp

@@ -2938 +2938 @@
 double getAngle(const Vector &point, const Vector &reference, const Vector OrthogonalVector)
 {
-  if (reference.IsNull())
+  if (reference.IsZero())
     return M_PI;
 
   // calculate both angles and correct with in-plane vector
-  if (point.IsNull())
+  if (point.IsZero())
     return M_PI;
   double phi = point.Angle(&reference);