BALL  1.5.0
rescorer.h
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1 // -*- Mode: C++; tab-width: 2; -*-
2 // vi: set ts=2:
3 //
4 // $id$
5 
6 #ifndef BALL_SCORING_COMMON_RESCORER_H
7 #define BALL_SCORING_COMMON_RESCORER_H
8 
9 #ifndef BALL_COMMON_H
10 # include <BALL/common.h>
11 #endif
12 
18 #include <BALL/DATATYPE/string.h>
19 
20 namespace BALL
21 {
22 
26  {
27 
28  public:
29  // assignment operator
30  Rescorer& operator = (const Rescorer& rescorer);
31 
32  // runs a rescoring
33  static int runRescoring(CommandlineParser& par, bool simple_rescoring, bool train);
34 
35  private:
36 
37  static void processMultiMoleculeFile(ScoringFunction* scoring_function, StructurePreparer* sp, String par_file, Rescoring* rescoring, bool train, double min_dock_score, String dock_score_label, GenericMolFile* input, GenericMolFile* output, double output_score_threshold, bool ignore_top);
38 
39  };
40 
41 }
42 
43 #endif // BALL_SCORING_COMMON_RESCORER_H
BALL::Rescorer
Definition: rescorer.h:25
BALL::CommandlineParser
Definition: commandlineParser.h:38
BALL::StructurePreparer
Definition: structurePreparer.h:21
rescoring.h
BALL::GenericMolFile
Definition: genericMolFile.h:56
BALL::Rescoring
Definition: rescoring.h:17
structurePreparer.h
BALL::String
Definition: string.h:56
BALL
Definition: constants.h:12
commandlineParser.h
string.h
scoringFunction.h
common.h
BALL_EXPORT
#define BALL_EXPORT
Definition: COMMON/global.h:50
genericMolFile.h
BALL::ScoringFunction
Definition: scoringFunction.h:28