Changeset 33bc66

Timestamp:

Feb 26, 2010, 11:47:16 AM (16 years ago)

Author:

Tillmann Crueger <crueger@…>

Children:

98a2987

Parents:

3db67e

Message:

Changed the type of AtomIds and MoleculeIds to an opaque type

Location:

molecuilder/src

Files:

• Descriptors/AtomDescriptor.cpp (modified) (3 diffs)
• Descriptors/AtomDescriptor_impl.hpp (modified) (2 diffs)
• Descriptors/AtomIdDescriptor.cpp (modified) (2 diffs)
• Descriptors/AtomIdDescriptor.hpp (modified) (1 diff)
• Descriptors/AtomIdDescriptor_impl.hpp (modified) (2 diffs)
• World.hpp (modified) (1 diff)
• defs.hpp (modified) (1 diff)

molecuilder/src/Descriptors/AtomDescriptor.cpp

@@ -19 +19 @@
 using namespace std;
 
-typedef map<int,atom*> atoms_t;
-typedef atoms_t::iterator atoms_iter_t;
+typedef World::AtomSet::iterator atoms_iter_t;
 
 /************************ Forwarding object **************************************/
@@ -68 +67 @@
 }
 
-atoms_t& AtomDescriptor_impl::getAtoms(){
+World::AtomSet& AtomDescriptor_impl::getAtoms(){
   return World::get()->atoms;
 }
 
 atom* AtomDescriptor_impl::find() {
-  atoms_t atoms = getAtoms();
+  World::AtomSet atoms = getAtoms();
   atoms_iter_t res = find_if(atoms.begin(),atoms.end(),boost::bind(&AtomDescriptor_impl::predicate,this,_1));
   return (res!=atoms.end())?((*res).second):0;
@@ -80 +79 @@
 vector<atom*> AtomDescriptor_impl::findAll() {
   vector<atom*> res;
-  atoms_t atoms = getAtoms();
+  World::AtomSet atoms = getAtoms();
   atoms_iter_t iter;
   for(iter=atoms.begin();iter!=atoms.end();++iter) {

molecuilder/src/Descriptors/AtomDescriptor_impl.hpp

@@ -1 +1 @@
 #ifndef ATOMDESCRIPTOR_IMPL_HPP
 #define ATOMDESCRIPTOR_IMPL_HPP
+
+#include "Descriptors/AtomDescriptor.hpp"
 
 /************************ Declarations of implementation Objects ************************/
@@ -17 +19 @@
   virtual atom* find();
   virtual std::vector<atom*> findAll();
-  std::map<int,atom*>& getAtoms();
+  World::AtomSet& getAtoms();
 };
 

molecuilder/src/Descriptors/AtomIdDescriptor.cpp

@@ -14 +14 @@
 
 
-AtomIdDescriptor_impl::AtomIdDescriptor_impl(int _id) :
+AtomIdDescriptor_impl::AtomIdDescriptor_impl(atomId_t _id) :
   id(_id)
 {}
@@ -25 +25 @@
 }
 
-AtomDescriptor AtomById(int id){
+AtomDescriptor AtomById(atomId_t id){
   return AtomDescriptor(AtomDescriptor::impl_ptr(new AtomIdDescriptor_impl(id)));
 }
 
 atom *AtomIdDescriptor_impl::find(){
-  map<int,atom*> atoms = getAtoms();
-  map<int,atom*>::iterator res = atoms.find(id);
+  World::AtomSet atoms = getAtoms();
+  World::AtomSet::iterator res = atoms.find(id);
   return (res!=atoms.end())?((*res).second):0;
 }

molecuilder/src/Descriptors/AtomIdDescriptor.hpp

@@ -9 +9 @@
 #define ATOMIDDESCRIPTOR_HPP_
 
+#include "defs.hpp"
 #include "Descriptors/AtomDescriptor.hpp"
 
-AtomDescriptor AtomById(int id);
+AtomDescriptor AtomById(atomId_t id);
 
 #endif /* ATOMIDDESCRIPTOR_HPP_ */

molecuilder/src/Descriptors/AtomIdDescriptor_impl.hpp

@@ -7 +7 @@
 {
 public:
-  AtomIdDescriptor_impl(int _id);
+  AtomIdDescriptor_impl(atomId_t _id);
   virtual ~AtomIdDescriptor_impl();
 
@@ -16 +16 @@
   virtual std::vector<atom*> findAll();
 private:
-  int id;
+  atomId_t id;
 };
 

molecuilder/src/World.hpp

@@ -40 +40 @@
 friend class ManipulateAtomsProcess;
 template<typename> friend class AtomsCalculation;
-typedef std::map<atomId_t,atom*> AtomSet;
-typedef std::map<moleculeId_t,molecule*> MoleculeSet;
 public:
+  typedef std::map<atomId_t,atom*> AtomSet;
+  typedef std::map<moleculeId_t,molecule*> MoleculeSet;
 
   /***** getter and setter *****/

molecuilder/src/defs.hpp

@@ -35 +35 @@
 // some types that can stay abstract
 typedef unsigned int moleculeId_t;
-typedef int atomId_t;
+typedef unsigned int atomId_t;
 
 //enum CutCyclicBond { KeepBond,  SaturateBond }; //!< Saturation scheme either atom- or bondwise