Changeset 8ffe32 for molecuilder/src/Makefile.am

Timestamp:

Oct 6, 2009, 5:57:01 PM (16 years ago)

Author:

Frederik Heber <heber@…>

Children:

567b7f

Parents:

a4644b

Message:

More functions of molecule now use templated iterators.

• the following template functions are defined in molecule.hpp and implemented in molecule_template.hpp
  • ActOnAllVectors() - Vector of current atom is object to member function pointer
  • ActOnAllAtoms() - current atom is object to member function pointer
  • ActWithEachAtom() - current atom is parameter to molecule member function not object
  • ActOnCopyWithEachAtom() - Same as ActWithEachAtom() but object is not this but an extra pointer to a copy
  • ActOnCopyWithEachAtomIfTrue() - Same as ActWithEachAtom() but with additional condition (bool member function of atom) that has to be true
  • SetIndexedArrayForEachAtomTo() - current atom's index or its element's Z acts as index to a given array in conjunction with a setor function
• the following functions were converted in molecule: molecule::CopyMolecule(), molecule::CopyMoleculeFromSubRegion(), molecule::Output(), molecule::OutputTrajectories(), molecule::OutputXYZ()
• atom.cpp: new functions IsInParallelepiped(), overloaded Output()
• helper.cpp: new template functions Increment() and AbsolutValue acting as wrapper to operator+=() and operator=()

File:

• molecuilder/src/Makefile.am (modified) (1 diff)

molecuilder/src/Makefile.am

@@ -1 +1 @@
 SOURCE = atom.cpp bond.cpp boundary.cpp config.cpp element.cpp ellipsoid.cpp helpers.cpp leastsquaremin.cpp linkedcell.cpp moleculelist.cpp molecule.cpp molecule_dynamics.cpp molecule_fragmentation.cpp molecule_geometry.cpp molecule_graph.cpp molecule_pointcloud.cpp parser.cpp periodentafel.cpp tesselation.cpp tesselationhelpers.cpp vector.cpp verbose.cpp
-HEADER = atom.hpp bond.hpp boundary.hpp config.hpp defs.hpp element.hpp ellipsoid.hpp helpers.hpp leastsquaremin.hpp linkedcell.hpp memoryallocator.hpp memoryusageobserver.cpp memoryusageobserver.hpp molecule.hpp parser.hpp periodentafel.hpp stackclass.hpp tesselation.hpp tesselationhelpers.hpp vector.hpp verbose.hpp
+HEADER = atom.hpp bond.hpp boundary.hpp config.hpp defs.hpp element.hpp ellipsoid.hpp helpers.hpp leastsquaremin.hpp linkedcell.hpp memoryallocator.hpp memoryusageobserver.cpp memoryusageobserver.hpp molecule.hpp molecule_template.hpp parser.hpp periodentafel.hpp stackclass.hpp tesselation.hpp tesselationhelpers.hpp vector.hpp verbose.hpp
 
 noinst_PROGRAMS =  ActOnAllTest VectorUnitTest MemoryAllocatorUnitTest MemoryUsageObserverUnitTest TesselationUnitTest