source: molecuilder/src/atom_bondedparticle.hpp@ 4ef101

Last change on this file since 4ef101 was 543ce4, checked in by Frederik Heber <heber@…>, 16 years ago

Huge change from ofstream * (const) out --> Log().

  • first shift was done via regular expressions
  • then via error messages from the code
  • note that class atom, class element and class molecule kept in parts their output stream, was they print to file.
  • make check runs fine
  • MISSING: Verbosity is not fixed for everything (i.e. if no endl; is present and next has Verbose(0) ...)

Signed-off-by: Frederik Heber <heber@…>
  • Property mode set to 100644
File size: 1.2 KB
Line 
1/*
2 * atom_bondedparticle.hpp
3 *
4 * Created on: Oct 19, 2009
5 * Author: heber
6 */
7
8#ifndef ATOM_BONDEDPARTICLE_HPP_
9#define ATOM_BONDEDPARTICLE_HPP_
10
11
12using namespace std;
13
14/*********************************************** includes ***********************************/
15
16// include config.h
17#ifdef HAVE_CONFIG_H
18#include <config.h>
19#endif
20
21#include <fstream>
22#include <list>
23
24#include "atom_atominfo.hpp"
25#include "atom_bondedparticleinfo.hpp"
26#include "atom_particleinfo.hpp"
27
28/****************************************** forward declarations *****************************/
29
30class bond;
31
32/********************************************** declarations *******************************/
33
34class BondedParticle : public BondedParticleInfo, public virtual ParticleInfo, public virtual AtomInfo {
35public:
36 BondedParticle();
37 virtual ~BondedParticle();
38
39 bool RegisterBond(bond *Binder);
40 bool UnregisterBond(bond *Binder);
41 bool IsBondedTo(BondedParticle * const BondPartner);
42 void UnregisterAllBond();
43 int CountBonds() const;
44 int CorrectBondDegree();
45 void OutputBondOfAtom() const;
46 void OutputAdjacency(ofstream *AdjacencyFile) const;
47 void OutputOrder(ofstream *file) const;
48
49private:
50
51};
52
53
54#endif /* ATOM_BONDEDPARTICLE_HPP_ */
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