source: src/MoleculeLeafClass.hpp@ b4f72c

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Last change on this file since b4f72c was 339910, checked in by Frederik Heber <heber@…>, 12 years ago

Fragmentation now operates on a single molecule.
  • Property mode set to 100644
File size: 1.1 KB
Line 
1/*
2 * MoleculeLeafClass.hpp
3 *
4 * Created on: Oct 20, 2011
5 * Author: heber
6 */
7
8#ifndef MOLECULELEAFCLASS_HPP_
9#define MOLECULELEAFCLASS_HPP_
10
11#ifdef HAVE_CONFIG_H
12#include <config.h>
13#endif
14
15#include "Fragmentation/fragmentation_helpers.hpp"
16#include "Fragmentation/HydrogenSaturation_enum.hpp"
17
18class atom;
19class AtomMask_t;
20class Graph;
21class ListOfLocalAtoms_t;
22class molecule;
23
24
25/** A leaf for a tree of \a molecule class
26 * Wraps molecules in a tree structure
27 */
28class MoleculeLeafClass
29{
30public:
31 molecule *Leaf; //!< molecule of this leaf
32 //MoleculeLeafClass *UpLeaf; //!< Leaf one level up
33 //MoleculeLeafClass *DownLeaf; //!< First leaf one level down
34 MoleculeLeafClass *previous; //!< Previous leaf on this level
35 MoleculeLeafClass *next; //!< Next leaf on this level
36
37 //MoleculeLeafClass(MoleculeLeafClass *Up, MoleculeLeafClass *Previous);
38 MoleculeLeafClass(MoleculeLeafClass *PreviousLeaf);
39 ~MoleculeLeafClass();
40
41 bool AddLeaf(molecule *ptr, MoleculeLeafClass *Previous);
42 int Count() const;
43};
44
45
46#endif /* MOLECULELEAFCLASS_HPP_ */
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