Changeset 6b937bd for molecuilder/src/molecule_template.hpp

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/molecule_template.hpp (modified) (36 diffs)

molecuilder/src/molecule_template.hpp

@@ -156 +156 @@
 
 // zero arguments
-template <typename res> res molecule::SumPerAtom(res (atom::*f)() )
+template <typename res, typename typ> res molecule::SumPerAtom(res (typ::*f)() )
 {
   res result = 0;
@@ -166 +166 @@
   return result;
 };
-template <typename res> res molecule::SumPerAtom(res (atom::*f)() const )
+template <typename res, typename typ> res molecule::SumPerAtom(res (typ::*f)() const )
 {
   res result = 0;
@@ -176 +176 @@
   return result;
 };
-template <typename res> res molecule::SumPerAtom(res (atom::*f)() ) const
+template <typename res, typename typ> res molecule::SumPerAtom(res (typ::*f)() ) const
 {
   res result = 0;
@@ -186 +186 @@
   return result;
 };
-template <typename res> res molecule::SumPerAtom(res (atom::*f)() const ) const
+template <typename res, typename typ> res molecule::SumPerAtom(res (typ::*f)() const ) const
 {
   res result = 0;
@@ -197 +197 @@
 };
 // one argument
-template <typename T, typename res> res molecule::SumPerAtom(res (atom::*f)(T), T t )
+template <typename res, typename typ, typename T> res molecule::SumPerAtom(res (typ::*f)(T), T t )
 {
   res result = 0;
@@ -207 +207 @@
   return result;
 };
-template <typename T, typename res> res molecule::SumPerAtom(res (atom::*f)(T) const, T t )
+template <typename res, typename typ, typename T> res molecule::SumPerAtom(res (typ::*f)(T) const, T t )
 {
   res result = 0;
@@ -217 +217 @@
   return result;
 };
-template <typename T, typename res> res molecule::SumPerAtom(res (atom::*f)(T), T t ) const
+template <typename res, typename typ, typename T> res molecule::SumPerAtom(res (typ::*f)(T), T t ) const
 {
   res result = 0;
@@ -227 +227 @@
   return result;
 };
-template <typename T, typename res> res molecule::SumPerAtom(res (atom::*f)(T) const, T t ) const
+template <typename res, typename typ, typename T> res molecule::SumPerAtom(res (typ::*f)(T) const, T t ) const
 {
   res result = 0;
@@ -357 +357 @@
 
 // zero arguments
-template <typename res> void molecule::ActOnAllAtoms( res (atom::*f)())
+template <typename res, typename typ> void molecule::ActOnAllAtoms( res (typ::*f)())
 {
   atom *Walker = start;
@@ -365 +365 @@
   }
 };
-template <typename res> void molecule::ActOnAllAtoms( res (atom::*f)() const)
+template <typename res, typename typ> void molecule::ActOnAllAtoms( res (typ::*f)() const)
 {
   atom *Walker = start;
@@ -373 +373 @@
   }
 };
-template <typename res> void molecule::ActOnAllAtoms( res (atom::*f)()) const
+template <typename res, typename typ> void molecule::ActOnAllAtoms( res (typ::*f)()) const
 {
   atom *Walker = start;
@@ -381 +381 @@
   }
 };
-template <typename res> void molecule::ActOnAllAtoms( res (atom::*f)() const) const
+template <typename res, typename typ> void molecule::ActOnAllAtoms( res (typ::*f)() const) const
 {
   atom *Walker = start;
@@ -390 +390 @@
 };
 // one argument
-template <typename res, typename T> void molecule::ActOnAllAtoms( res (atom::*f)(T), T t )
+template <typename res, typename typ, typename T> void molecule::ActOnAllAtoms( res (typ::*f)(T), T t )
 {
   atom *Walker = start;
@@ -398 +398 @@
   }
 };
-template <typename res, typename T> void molecule::ActOnAllAtoms( res (atom::*f)(T) const, T t )
+template <typename res, typename typ, typename T> void molecule::ActOnAllAtoms( res (typ::*f)(T) const, T t )
 {
   atom *Walker = start;
@@ -406 +406 @@
   }
 };
-template <typename res, typename T> void molecule::ActOnAllAtoms( res (atom::*f)(T), T t ) const
+template <typename res, typename typ, typename T> void molecule::ActOnAllAtoms( res (typ::*f)(T), T t ) const
 {
   atom *Walker = start;
@@ -414 +414 @@
   }
 };
-template <typename res, typename T> void molecule::ActOnAllAtoms( res (atom::*f)(T) const, T t ) const
+template <typename res, typename typ, typename T> void molecule::ActOnAllAtoms( res (typ::*f)(T) const, T t ) const
 {
   atom *Walker = start;
@@ -423 +423 @@
 };
 // two argument
-template <typename res, typename T, typename U> void molecule::ActOnAllAtoms( res (atom::*f)(T, U), T t, U u )
+template <typename res, typename typ, typename T, typename U> void molecule::ActOnAllAtoms( res (typ::*f)(T, U), T t, U u )
 {
   atom *Walker = start;
@@ -431 +431 @@
   }
 };
-template <typename res, typename T, typename U> void molecule::ActOnAllAtoms( res (atom::*f)(T, U) const, T t, U u )
+template <typename res, typename typ, typename T, typename U> void molecule::ActOnAllAtoms( res (typ::*f)(T, U) const, T t, U u )
 {
   atom *Walker = start;
@@ -439 +439 @@
   }
 };
-template <typename res, typename T, typename U> void molecule::ActOnAllAtoms( res (atom::*f)(T, U), T t, U u ) const
+template <typename res, typename typ, typename T, typename U> void molecule::ActOnAllAtoms( res (typ::*f)(T, U), T t, U u ) const
 {
   atom *Walker = start;
@@ -447 +447 @@
   }
 };
-template <typename res, typename T, typename U> void molecule::ActOnAllAtoms( res (atom::*f)(T, U) const, T t, U u ) const
+template <typename res, typename typ, typename T, typename U> void molecule::ActOnAllAtoms( res (typ::*f)(T, U) const, T t, U u ) const
 {
   atom *Walker = start;
@@ -456 +456 @@
 };
 // three argument
-template <typename res, typename T, typename U, typename V> void molecule::ActOnAllAtoms( res (atom::*f)(T, U, V), T t, U u, V v)
+template <typename res, typename typ, typename T, typename U, typename V> void molecule::ActOnAllAtoms( res (typ::*f)(T, U, V), T t, U u, V v)
 {
   atom *Walker = start;
@@ -464 +464 @@
   }
 };
-template <typename res, typename T, typename U, typename V> void molecule::ActOnAllAtoms( res (atom::*f)(T, U, V) const, T t, U u, V v)
+template <typename res, typename typ, typename T, typename U, typename V> void molecule::ActOnAllAtoms( res (typ::*f)(T, U, V) const, T t, U u, V v)
 {
   atom *Walker = start;
@@ -472 +472 @@
   }
 };
-template <typename res, typename T, typename U, typename V> void molecule::ActOnAllAtoms( res (atom::*f)(T, U, V), T t, U u, V v) const
+template <typename res, typename typ, typename T, typename U, typename V> void molecule::ActOnAllAtoms( res (typ::*f)(T, U, V), T t, U u, V v) const
 {
   atom *Walker = start;
@@ -480 +480 @@
   }
 };
-template <typename res, typename T, typename U, typename V> void molecule::ActOnAllAtoms( res (atom::*f)(T, U, V) const, T t, U u, V v) const
+template <typename res, typename typ, typename T, typename U, typename V> void molecule::ActOnAllAtoms( res (typ::*f)(T, U, V) const, T t, U u, V v) const
 {
   atom *Walker = start;
@@ -489 +489 @@
 };
 // four arguments
-template <typename res, typename T, typename U, typename V, typename W> void molecule::ActOnAllAtoms( res (atom::*f)(T, U, V, W), T t, U u, V v, W w)
+template <typename res, typename typ, typename T, typename U, typename V, typename W> void molecule::ActOnAllAtoms( res (typ::*f)(T, U, V, W), T t, U u, V v, W w)
 {
   atom *Walker = start;
@@ -497 +497 @@
   }
 };
-template <typename res, typename T, typename U, typename V, typename W> void molecule::ActOnAllAtoms( res (atom::*f)(T, U, V, W) const, T t, U u, V v, W w)
+template <typename res, typename typ, typename T, typename U, typename V, typename W> void molecule::ActOnAllAtoms( res (typ::*f)(T, U, V, W) const, T t, U u, V v, W w)
 {
   atom *Walker = start;
@@ -505 +505 @@
   }
 };
-template <typename res, typename T, typename U, typename V, typename W> void molecule::ActOnAllAtoms( res (atom::*f)(T, U, V, W), T t, U u, V v, W w) const
+template <typename res, typename typ, typename T, typename U, typename V, typename W> void molecule::ActOnAllAtoms( res (typ::*f)(T, U, V, W), T t, U u, V v, W w) const
 {
   atom *Walker = start;
@@ -513 +513 @@
   }
 };
-template <typename res, typename T, typename U, typename V, typename W> void molecule::ActOnAllAtoms( res (atom::*f)(T, U, V, W) const, T t, U u, V v, W w) const
+template <typename res, typename typ, typename T, typename U, typename V, typename W> void molecule::ActOnAllAtoms( res (typ::*f)(T, U, V, W) const, T t, U u, V v, W w) const
 {
   atom *Walker = start;
@@ -525 +525 @@
 
 // for atom ints
-template <typename T> void molecule::SetIndexedArrayForEachAtomTo ( T *array, int TesselPoint::*index, void (*Setor)(T *, T *) )
+template <typename T> void molecule::SetIndexedArrayForEachAtomTo ( T *array, int ParticleInfo::*index, void (*Setor)(T *, T *) )
 {
   atom *Walker = start;
@@ -534 +534 @@
   }
 };
-template <typename T> void molecule::SetIndexedArrayForEachAtomTo ( T *array, int TesselPoint::*index, void (*Setor)(T *, T *), T value )
+template <typename T> void molecule::SetIndexedArrayForEachAtomTo ( T *array, int ParticleInfo::*index, void (*Setor)(T *, T *), T value )
 {
   atom *Walker = start;
@@ -542 +542 @@
   }
 };
-template <typename T> void molecule::SetIndexedArrayForEachAtomTo ( T *array, int TesselPoint::*index, void (*Setor)(T *, T *), T *value )
+template <typename T> void molecule::SetIndexedArrayForEachAtomTo ( T *array, int ParticleInfo::*index, void (*Setor)(T *, T *), T *value )
 {
   atom *Walker = start;
@@ -550 +550 @@
   }
 };
-// for element ints inside atom class
+// for element ints
 template <typename T> void molecule::SetIndexedArrayForEachAtomTo ( T *array, int element::*index, void (*Setor)(T *, T *) )
 {
@@ -576 +576 @@
   }
 };
-template <typename T> void molecule::SetIndexedArrayForEachAtomTo ( T *array, int TesselPoint::*index, T (atom::*Setor)(Vector &), Vector atom::*value )
+
+template <typename T> void molecule::SetIndexedArrayForEachAtomTo ( T *array, int ParticleInfo::*index, T (atom::*Setor)(Vector &), Vector atom::*value )
 {
   atom *Walker = start;
@@ -584 +585 @@
   }
 };
-template <typename T> void molecule::SetIndexedArrayForEachAtomTo ( T *array, int TesselPoint::*index, T (atom::*Setor)(Vector &), Vector &vect )
+template <typename T> void molecule::SetIndexedArrayForEachAtomTo ( T *array, int ParticleInfo::*index, T (atom::*Setor)(Vector &), Vector &vect )
 {
   atom *Walker = start;
@@ -593 +594 @@
 };
 
-template <typename T> void molecule::SetAtomValueToIndexedArray ( T *array, int TesselPoint::*index, T atom::*value )
+template <typename T, typename typ, typename typ2> void molecule::SetAtomValueToIndexedArray ( T *array, int typ::*index, T typ2::*value )
 {
   atom *Walker = start;
@@ -603 +604 @@
 };
 
-template <typename T> void molecule::SetAtomValueToIndexedArray ( T *array, int element::*index, T atom::*value )
-{
-  atom *Walker = start;
-  while (Walker->next != end) {
-    Walker = Walker->next;
-    Walker->*value = array[(Walker->type->*index)];
-    //cout << Verbose(2) << *Walker << " gets " << (Walker->*value) << endl;
-  }
-};
-template <typename T> void molecule::SetAtomValueToValue ( T value, T atom::*ptr )
+template <typename T, typename typ> void molecule::SetAtomValueToValue ( T value, T typ::*ptr )
 {
   atom *Walker = start;