|
Last change
on this file since c1413b was ea7a50, checked in by Frederik Heber <heber@…>, 14 years ago |
|
Rewrote some of the descriptors such that they access World's AtomSet and MoleculeSet directly.
|
-
Property mode
set to
100644
|
|
File size:
836 bytes
|
| Line | |
|---|
| 1 | /*
|
|---|
| 2 | * MoleculeOfAtomSelectionDescriptor_impl.hpp
|
|---|
| 3 | *
|
|---|
| 4 | * Created on: Jul 16, 2010
|
|---|
| 5 | * Author: crueger
|
|---|
| 6 | */
|
|---|
| 7 |
|
|---|
| 8 | #ifndef MOLECULEOFATOMSELECTIONDESCRIPTOR_IMPL_HPP_
|
|---|
| 9 | #define MOLECULEOFATOMSELECTIONDESCRIPTOR_IMPL_HPP_
|
|---|
| 10 |
|
|---|
| 11 | // include config.h
|
|---|
| 12 | #ifdef HAVE_CONFIG_H
|
|---|
| 13 | #include <config.h>
|
|---|
| 14 | #endif
|
|---|
| 15 |
|
|---|
| 16 |
|
|---|
| 17 | #include "Descriptors/MoleculeDescriptor_impl.hpp"
|
|---|
| 18 |
|
|---|
| 19 | class MoleculeOfAtomSelectionDescriptor_impl : public MoleculeDescriptor_impl{
|
|---|
| 20 | public:
|
|---|
| 21 | MoleculeOfAtomSelectionDescriptor_impl();
|
|---|
| 22 | virtual ~MoleculeOfAtomSelectionDescriptor_impl();
|
|---|
| 23 | bool predicate(std::pair<moleculeId_t,molecule*> molecule);
|
|---|
| 24 | protected:
|
|---|
| 25 | // need to overide more than the standard methods to make this fast
|
|---|
| 26 | virtual molecule* find();
|
|---|
| 27 | virtual std::vector<molecule*> findAll();
|
|---|
| 28 |
|
|---|
| 29 | World::AtomSet& getSelectedAtoms();
|
|---|
| 30 | };
|
|---|
| 31 |
|
|---|
| 32 | #endif /* MOLECULEOFATOMSELECTIONDESCRIPTOR_IMPL_HPP_ */
|
|---|
Note:
See
TracBrowser
for help on using the repository browser.
