source: src/Descriptors/AtomOfMoleculeDescriptor_impl.hpp@ ff4fff9

CombiningParticlePotentialParsing
Last change on this file since ff4fff9 was 795c0f, checked in by Frederik Heber <heber@…>, 9 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: 512 bytes
Line 
1#ifndef ATOMOFMOLECULEDESCRIPTOR_IMPL_HPP
2#define ATOMOFMOLECULEDESCRIPTOR_IMPL_HPP
3
4// include config.h
5#ifdef HAVE_CONFIG_H
6#include <config.h>
7#endif
8
9
10#include "Descriptors/AtomDescriptor_impl.hpp"
11
12class AtomOfMoleculeDescriptor_impl : public AtomDescriptor_impl
13{
14public:
15 AtomOfMoleculeDescriptor_impl(moleculeId_t _id);
16 virtual ~AtomOfMoleculeDescriptor_impl();
17
18 bool predicate(std::pair<atomId_t,const atom*> atom) const;
19
20private:
21 moleculeId_t id;
22};
23
24#endif //ATOMOFMOLECULEDESCRIPTOR_IMPL_HPP
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