BALL 1.5.0
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SCWRLRotamerFile.h
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1// -*- Mode: C++; tab-width: 2; -*-
2// vi: set ts=2:
3//
4
5#ifndef BALL_FORMAT_SCWRLROTAMERFILE_H
6#define BALL_FORMAT_SCWRLROTAMERFILE_H
7
9
10namespace BALL
11{
13 class RotamerLibrary;
23 : public LineBasedFile
24 {
25 public:
26
32
34 SCWRLRotamerFile(const String& name, File::OpenMode open_mode = std::ios::in);
35
39
40
45 const SCWRLRotamerFile& operator = (const SCWRLRotamerFile& file);
46
48 void operator >> (RotamerLibrary& rotamer_library);
49
50 // TODO output operator????
52
57
62 };
63} // namespace BALL
64
65#endif // BALL_FORMAT_SCWRLROTAMERFILE_H
Reads Dunbrack/SCWRL rotamer library files.
void readSCWRLBackboneIndependentLibraryFile(RotamerLibrary &library)
SCWRLRotamerFile()
Default constructor.
SCWRLRotamerFile(const String &name, File::OpenMode open_mode=std::ios::in)
Detailed constructor.
virtual ~SCWRLRotamerFile()
Destructor.
void readSCWRLBackboneDependentLibraryFile(RotamerLibrary &library)
Rotamer Library Class.
std::ios::openmode OpenMode
Definition file.h:165
#define BALL_EXPORT