BALL 1.5.0
SDFile.h
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1// -*- Mode: C++; tab-width: 2; -*-
2// vi: set ts=2:
3//
4
5#ifndef BALL_FORMAT_SDFILE_H
6#define BALL_FORMAT_SDFILE_H
7
8#ifndef BALL_FORMAT_MOLFILE_H
9# include <BALL/FORMAT/MOLFile.h>
10#endif
11
12namespace BALL
13{
23 : public MOLFile
24 {
25 public:
26
30
34
38 SDFile(const String& filename, File::OpenMode open_mode = std::ios::in);
39
41 virtual ~SDFile();
42
44
48
55 virtual bool write(const System& system);
56
60 virtual bool write(const Molecule& molecule);
61
65 virtual bool read(System& system);
66
70 virtual Molecule* read();
71
78
90
95
97 const SDFile& operator = (const SDFile& file);
98
100
101 protected:
102
108
113 void writePropertyBlock_(const Molecule& molecule);
114
118 };
119} // namespace BALL
120
121#endif // BALL_FORMAT_SDFILE_H
Definition: constants.h:13
void writePropertyBlock_(const Molecule &molecule)
Size countMolecules()
virtual bool read(System &system)
void readPropertyBlock_(Molecule &molecule)
bool read_atoms_
Definition: SDFile.h:117
void disableAtoms()
virtual ~SDFile()
Destructor.
SDFile(const String &filename, File::OpenMode open_mode=std::ios::in)
virtual Molecule * read()
virtual bool write(const Molecule &molecule)
void enableAtoms()
virtual bool write(const System &system)
std::ios::openmode OpenMode
Definition: file.h:165
#define BALL_EXPORT
Definition: COMMON/global.h:50