Changeset 6b937bd for molecuilder/src/tesselation.cpp

Timestamp:

Oct 19, 2009, 1:09:29 PM (16 years ago)

Author:

Frederik Heber <heber@…>

Children:

3b0ba2

Parents:

99bed3

Message:

Huge Refactoring: class atom split up into several inherited classes.

• There are now two parts: classes containing data (called ...Info) and classes containing associated functions:
  • new data classes: ParticleInfo (id and name), AtomInfo (element, position, velocity, force), TrajectoryParticleInfo, GraphNodeInfo (all graph variables), BondedParticleInfo (AdaptiveOrder, MaxOrder, ListOfBonds)
  • new associated function classes: TrajectoryParticle, GraphNode, BondedParticle

• template functions ActOnAllAtoms(), SumPerAtom() were adapted with another template type for the class of the member function
• template functions SetIndexedArrayForEachAtomTo() have their index as ParticleInfo::*index

File:

• molecuilder/src/tesselation.cpp (modified) (1 diff)

molecuilder/src/tesselation.cpp

@@ -16 +16 @@
 
 class molecule;
+
+// =========================================== ParticleInfo ====================================
+
+/** Constructor of ParticleInfo.
+ */
+ParticleInfo::ParticleInfo() : nr(-1), Name(NULL) {};
+
+/** Destructor of ParticleInfo.
+ */
+ParticleInfo::~ParticleInfo()
+{
+  Free(&Name);
+};
 
 // ======================================== Points on Boundary =================================