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Last change
on this file since e651e7 was 543ce4, checked in by Frederik Heber <heber@…>, 16 years ago |
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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@…>
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Property mode
set to
100644
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File size:
1.2 KB
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| [2e2a70] | 1 | /*
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| 2 | * atom_bondedparticle.hpp
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| 3 | *
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| 4 | * Created on: Oct 19, 2009
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | #ifndef ATOM_BONDEDPARTICLE_HPP_
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| 9 | #define ATOM_BONDEDPARTICLE_HPP_
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| 10 |
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| 11 |
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| 12 | using namespace std;
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| 13 |
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| 14 | /*********************************************** includes ***********************************/
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| 15 |
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| 16 | // include config.h
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| 17 | #ifdef HAVE_CONFIG_H
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| 18 | #include <config.h>
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| 19 | #endif
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| 20 |
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| 21 | #include <fstream>
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| 22 | #include <list>
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| 23 |
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| 24 | #include "atom_atominfo.hpp"
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| 25 | #include "atom_bondedparticleinfo.hpp"
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| 26 | #include "atom_particleinfo.hpp"
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| 27 |
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| 28 | /****************************************** forward declarations *****************************/
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| 29 |
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| 30 | class bond;
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| 31 |
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| 32 | /********************************************** declarations *******************************/
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| 33 |
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| 34 | class BondedParticle : public BondedParticleInfo, public virtual ParticleInfo, public virtual AtomInfo {
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| 35 | public:
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| 36 | BondedParticle();
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| 37 | virtual ~BondedParticle();
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| 38 |
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| 39 | bool RegisterBond(bond *Binder);
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| 40 | bool UnregisterBond(bond *Binder);
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| [5f697c] | 41 | bool IsBondedTo(BondedParticle * const BondPartner);
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| [2e2a70] | 42 | void UnregisterAllBond();
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| 43 | int CountBonds() const;
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| [543ce4] | 44 | int CorrectBondDegree();
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| 45 | void OutputBondOfAtom() const;
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| [2e2a70] | 46 | void OutputAdjacency(ofstream *AdjacencyFile) const;
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| [94d0ad] | 47 | void OutputOrder(ofstream *file) const;
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| [2e2a70] | 48 |
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| 49 | private:
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| 50 |
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| 51 | };
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| 52 |
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| 53 |
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| 54 | #endif /* ATOM_BONDEDPARTICLE_HPP_ */
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