BALL 1.5.0
genericMolFile.h
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1// -*- Mode: C++; tab-width: 2; -*-
2// vi: set ts=2:
3//
4
5#ifndef BALL_FORMAT_GENERICMOLFILE_H
6#define BALL_FORMAT_GENERICMOLFILE_H
7
8#ifndef BALL_FORMAT_LINEBASEDFILE_H
10#endif
11
12namespace BALL
13{
14 class Atom;
15 class System;
16 class Molecule;
17
57 : public LineBasedFile
58 {
59 public:
60
64
68
72 GenericMolFile(const String& filename, File::OpenMode open_mode = std::ios::in);
73
76 virtual ~GenericMolFile();
77
78 virtual void close();
79
81
84
89 const GenericMolFile& operator = (const GenericMolFile& rhs);
90
93 void defineInputAsTemporary(bool b = true);
94
97 void enableOutputCompression(String zipped_filename);
98
100
102
105
115 virtual bool write(const System& system);
116
123 virtual bool write(const Molecule& molecule);
124
134 virtual bool read(System& system);
135
146 virtual Molecule* read();
147
149
152
158
163 virtual GenericMolFile& operator << (const System& system);
164
170
175 virtual GenericMolFile& operator << (const Molecule& molecule);
177
178 protected:
186 virtual void initRead_();
187
192 virtual void initWrite_();
193
198
199 };
200} // namespace BALL
201
202#endif // BALL_FORMAT_GENERICMOLFILE_H
BALL_EXPORT std::ostream & operator<<(std::ostream &os, const Exception::GeneralException &e)
Definition: constants.h:13
std::istream & operator>>(std::istream &is, TRegularData1D< ValueType > &grid)
Input operator.
char Atom[5]
Definition: PDBdefs.h:257
virtual bool write(const System &system)
void defineInputAsTemporary(bool b=true)
void enableOutputCompression(String zipped_filename)
virtual bool write(const Molecule &molecule)
virtual void close()
virtual void initRead_()
virtual bool read(System &system)
GenericMolFile(const String &filename, File::OpenMode open_mode=std::ios::in)
virtual ~GenericMolFile()
virtual Molecule * read()
virtual void initWrite_()
std::ios::openmode OpenMode
Definition: file.h:165
#define BALL_EXPORT
Definition: COMMON/global.h:50