Changeset e7e088 for molecuilder/src/Descriptors

Timestamp:

Feb 25, 2010, 10:18:50 AM (16 years ago)

Author:

Tillmann Crueger <crueger@…>

Children:

bb89b9

Parents:

5bf941

Message:

Added Descriptor that allows querying of atoms by their type

Location:

molecuilder/src/Descriptors

Files:

• AtomDescriptor_impl.hpp (modified) (2 diffs)
• AtomIdDescriptor.cpp (modified) (3 diffs)
• AtomIdDescriptor_impl.hpp (modified) (2 diffs)
• AtomTypeDescriptor.cpp (added)
• AtomTypeDescriptor.hpp (added)
• AtomTypeDescriptor_impl.hpp (added)

molecuilder/src/Descriptors/AtomDescriptor_impl.hpp

@@ +1 @@
+#ifndef ATOMDESCRIPTOR_IMPL_HPP
+#define ATOMDESCRIPTOR_IMPL_HPP
+
 /************************ Declarations of implementation Objects ************************/
 
@@ -70 +73 @@
   AtomDescriptor::impl_ptr arg;
 };
+
+#endif //ATOMDESCRIPTOR_IMPL_HPP

molecuilder/src/Descriptors/AtomIdDescriptor.cpp

@@ -22 +22 @@
 
 bool AtomIdDescriptor_impl::predicate(std::pair<int,atom*> atom) {
-  return atom.second->getId()==id;
+  return atom.first==id;
 }
 
@@ -29 +29 @@
 }
 
-#if 0
-
-// so far the lookuptable for Atoms-by-id does not work, since atoms don't get an ID upon creation.
-// instead of this we rely on walking through all atoms.
-
-atom *AtomIdDescriptor::find(){
+atom *AtomIdDescriptor_impl::find(){
   map<int,atom*> atoms = getAtoms();
   map<int,atom*>::iterator res = atoms.find(id);
@@ -40 +35 @@
 }
 
-vector<atom*> AtomIdDescriptor::findAll(){
+vector<atom*> AtomIdDescriptor_impl::findAll(){
   atom *res = find();
   return (res)?(vector<atom*>(1,res)):(vector<atom*>());
 }
-
-#endif

molecuilder/src/Descriptors/AtomIdDescriptor_impl.hpp

@@ +1 @@
+#ifndef ATOMIDDESCRIPTOR_IMPL_HPP
+#define ATOMIDDESCRIPTOR_IMPL_HPP
+
 #include "Descriptors/AtomDescriptor_impl.hpp"
 
@@ -10 +13 @@
 
 protected:
-#if 0
-  atom *find();
-  std::vector<atom*> findAll();
-#endif
+  virtual atom *find();
+  virtual std::vector<atom*> findAll();
 private:
   int id;
 };
+
+#endif //ATOMIDDESCRIPTOR_IMPL_HPP