source: src/Descriptors/AtomIdDescriptor_impl.hpp@ ee19b7

Add_FitFragmentPartialChargesAction Fix_ChargeSampling_PBC Fix_FitPartialCharges Fix_FitPotential_needs_atomicnumbers Fix_ParseParticles_split_forward_backward_Actions
Last change on this file since ee19b7 was 795c0f, checked in by Frederik Heber <heber@…>, 10 years ago

World::getAtoms() now has const versions as well.

  • this in turn required to adapt all AtomDescriptors and some fixes, e.g. predicate is now const member and works on const atom ptr.
  • Property mode set to 100644
File size: 619 bytes
RevLine 
[f16a4b]1#ifndef ATOMIDDESCRIPTOR_IMPL_HPP
2#define ATOMIDDESCRIPTOR_IMPL_HPP
3
[56f73b]4// include config.h
5#ifdef HAVE_CONFIG_H
6#include <config.h>
7#endif
8
9
[7a1ce5]10#include "Descriptors/AtomDescriptor_impl.hpp"
11
12class AtomIdDescriptor_impl : public AtomDescriptor_impl
13{
14public:
[7042f45]15 AtomIdDescriptor_impl(atomId_t _id);
[7a1ce5]16 virtual ~AtomIdDescriptor_impl();
17
[795c0f]18 bool predicate(std::pair<atomId_t,const atom*> atom) const;
[7a1ce5]19
20protected:
[f16a4b]21 virtual atom *find();
[795c0f]22 virtual const atom *find() const;
[f16a4b]23 virtual std::vector<atom*> findAll();
[795c0f]24 virtual std::vector<const atom*> findAll() const;
[7a1ce5]25private:
[7042f45]26 atomId_t id;
[7a1ce5]27};
[f16a4b]28
29#endif //ATOMIDDESCRIPTOR_IMPL_HPP
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