BALL
1.5.0
include
BALL
SCORING
COMMON
rescorer.h
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// -*- Mode: C++; tab-width: 2; -*-
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// vi: set ts=2:
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//
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// $id$
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#ifndef BALL_SCORING_COMMON_RESCORER_H
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#define BALL_SCORING_COMMON_RESCORER_H
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#ifndef BALL_COMMON_H
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# include <
BALL/common.h
>
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#endif
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#include <
BALL/FORMAT/commandlineParser.h
>
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#include <
BALL/SCORING/COMMON/scoringFunction.h
>
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#include <
BALL/SCORING/FUNCTIONS/rescoring.h
>
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#include <
BALL/DOCKING/COMMON/structurePreparer.h
>
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#include <
BALL/FORMAT/genericMolFile.h
>
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#include <
BALL/DATATYPE/string.h
>
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namespace
BALL
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{
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class
BALL_EXPORT
Rescorer
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{
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public
:
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// assignment operator
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Rescorer
& operator = (
const
Rescorer
& rescorer);
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// runs a rescoring
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static
int
runRescoring
(
CommandlineParser
& par,
bool
simple_rescoring,
bool
train);
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private
:
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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);
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};
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}
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#endif
// BALL_SCORING_COMMON_RESCORER_H
common.h
structurePreparer.h
string.h
scoringFunction.h
rescoring.h
commandlineParser.h
genericMolFile.h
BALL
Definition:
constants.h:13
BALL::String
Definition:
string.h:57
BALL::StructurePreparer
Definition:
structurePreparer.h:22
BALL::CommandlineParser
Definition:
commandlineParser.h:39
BALL::GenericMolFile
Definition:
genericMolFile.h:58
BALL::Rescorer
Definition:
rescorer.h:26
BALL::Rescorer::runRescoring
static int runRescoring(CommandlineParser &par, bool simple_rescoring, bool train)
BALL::ScoringFunction
Definition:
scoringFunction.h:29
BALL::Rescoring
Definition:
rescoring.h:18
BALL_EXPORT
#define BALL_EXPORT
Definition:
COMMON/global.h:50
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