Changeset 247d49 for molecuilder/src

Timestamp:

Jan 8, 2010, 5:48:35 PM (16 years ago)

Author:

Frederik Heber <heber@…>

Children:

e6fe8a

Parents:

e651e7

Message:

Wrapper class for gsl_linalg along with working Unit test.

• new class LinearSystemOfEquations wraps all useful functions of the GSL library part linalg.
• uses wrapper classes GSLVector and GSLMatrix in order to solve Ax = b for x.
• new unit tests LinearSystemOfEquationUnitTest tests each part and is working.

Signed-off-by: Frederik Heber <heber@…>

Location:

molecuilder/src

Files:

• Makefile.am (modified) (1 diff)
• linearsystemofequations.cpp (added)
• linearsystemofequations.hpp (added)
• unittests/Makefile.am (modified) (1 diff)
• unittests/linearsystemofequationsunittest.cpp (added)
• unittests/linearsystemofequationsunittest.hpp (added)

molecuilder/src/Makefile.am

@@ -2 +2 @@
 ATOMHEADER = atom.hpp atom_atominfo.hpp atom_bondedparticle.hpp atom_bondedparticleinfo.hpp atom_graphnode.hpp atom_graphnodeinfo.hpp atom_particleinfo.hpp atom_trajectoryparticle.hpp atom_trajectoryparticleinfo.hpp
 
-LINALGSOURCE = gslmatrix.cpp gslvector.cpp
-LINALGHEADER = gslmatrix.hpp gslvector.hpp
+LINALGSOURCE = gslmatrix.cpp gslvector.cpp linearsystemofequations.cpp
+LINALGHEADER = gslmatrix.hpp gslvector.hpp linearsystemofequations.hpp
 
 ANALYSISSOURCE = analysis_bonds.cpp analysis_correlation.cpp

molecuilder/src/unittests/Makefile.am

@@ -15 +15 @@
   GSLVectorUnitTest \
   InfoUnitTest \
+  LinearSystemOfEquationsUnitTest \
   ListOfBondsUnitTest \
   LogUnitTest \