BALL
1.5.0
include
BALL
STRUCTURE
defaultProcessors.h
Go to the documentation of this file.
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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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#ifndef BALL_STRUCTURE_DEFAULTPROCESSORS_H
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#define BALL_STRUCTURE_DEFAULTPROCESSORS_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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#ifndef BALL_KERNEL_atom_H
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# include <
BALL/KERNEL/atom.h
>
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#endif
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#ifndef BALL_MATHS_VECTOR3_H
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# include <
BALL/MATHS/vector3.h
>
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#endif
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#ifndef BALL_CONCEPT_PROCESSOR_H
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# include <
BALL/CONCEPT/processor.h
>
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#endif
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#ifndef BALL_DATATYPE_STRINGHASHMAP_H
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# include <
BALL/DATATYPE/stringHashMap.h
>
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#endif
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namespace
BALL
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{
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class
BALL_EXPORT
ClearChargeProcessor
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:
public
UnaryProcessor
<Atom>
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{
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public
:
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virtual
Processor::Result
operator()
(
Atom
& atom);
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};
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class
BALL_EXPORT
ClearRadiusProcessor
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:
public
UnaryProcessor
<Atom>
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{
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public
:
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virtual
Processor::Result
operator()
(
Atom
& atom);
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};
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class
BALL_EXPORT
AssignRadiusProcessor
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:
public
UnaryProcessor
<Atom>
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{
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public
:
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AssignRadiusProcessor
();
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AssignRadiusProcessor
(
const
String
& filename);
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virtual
bool
start
();
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virtual
bool
finish
();
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virtual
Processor::Result
operator()
(
Atom
& atom);
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void
setFilename
(
const
String
& filename);
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String
&
getFilename
();
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Size
getNumberOfAssignments
();
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Size
getNumberOfErrors
();
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protected
:
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bool
buildTable_
();
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String
filename_
;
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StringHashMap<float>
table_
;
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Size
number_of_errors_
;
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Size
number_of_assignments_
;
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};
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class
BALL_EXPORT
AssignChargeProcessor
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:
public
AssignRadiusProcessor
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{
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public
:
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AssignChargeProcessor
();
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AssignChargeProcessor
(
const
String
& filename);
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virtual
bool
start
();
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virtual
Processor::Result
operator () (
Atom
& atom);
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float
getTotalCharge
();
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protected
:
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float
total_charge_
;
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};
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}
// namespace BALL
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#endif // BALL_STRUCTURE_DEFAULTPROCESSORS_H
BALL_EXPORT
#define BALL_EXPORT
Definition:
COMMON/global.h:50
BALL::ClearChargeProcessor::operator()
virtual Processor::Result operator()(Atom &atom)
Sets the charge to zero.
BALL::AssignRadiusProcessor::setFilename
void setFilename(const String &filename)
BALL::AssignRadiusProcessor::operator()
virtual Processor::Result operator()(Atom &atom)
BALL::ClearChargeProcessor
Definition:
defaultProcessors.h:35
BALL::AssignRadiusProcessor::buildTable_
bool buildTable_()
vector3.h
BALL::Atom
Definition:
atom.h:90
stringHashMap.h
BALL::AssignRadiusProcessor
Definition:
defaultProcessors.h:64
BALL::AssignRadiusProcessor::number_of_errors_
Size number_of_errors_
Definition:
defaultProcessors.h:133
BALL::String
Definition:
string.h:57
BALL::AssignRadiusProcessor::getFilename
String & getFilename()
BALL::AssignChargeProcessor::getTotalCharge
float getTotalCharge()
BALL::AssignRadiusProcessor::AssignRadiusProcessor
AssignRadiusProcessor()
Default constructor.
BALL
Definition:
constants.h:13
BALL::AssignRadiusProcessor::AssignRadiusProcessor
AssignRadiusProcessor(const String &filename)
BALL::AssignRadiusProcessor::number_of_assignments_
Size number_of_assignments_
Definition:
defaultProcessors.h:134
BALL::ClearRadiusProcessor::operator()
virtual Processor::Result operator()(Atom &atom)
Sets the radius to zero..
BALL::AssignRadiusProcessor::getNumberOfErrors
Size getNumberOfErrors()
BALL::StringHashMap< float >
BALL_SIZE_TYPE
BALL::UnaryProcessor
Definition:
processor.h:60
BALL::AssignRadiusProcessor::table_
StringHashMap< float > table_
Definition:
defaultProcessors.h:132
BALL::AssignChargeProcessor
Definition:
defaultProcessors.h:146
BALL::AssignChargeProcessor::start
virtual bool start()
atom.h
BALL::AssignChargeProcessor::AssignChargeProcessor
AssignChargeProcessor(const String &filename)
processor.h
common.h
BALL::AssignRadiusProcessor::getNumberOfAssignments
Size getNumberOfAssignments()
BALL::Processor::Result
int Result
Definition:
processor.h:36
BALL::ClearRadiusProcessor
Definition:
defaultProcessors.h:48
BALL::AssignRadiusProcessor::filename_
String filename_
Definition:
defaultProcessors.h:131
BALL::AssignRadiusProcessor::finish
virtual bool finish()
BALL::AssignChargeProcessor::AssignChargeProcessor
AssignChargeProcessor()
Default constructor.
BALL::AssignChargeProcessor::total_charge_
float total_charge_
Definition:
defaultProcessors.h:177
BALL::AssignRadiusProcessor::start
virtual bool start()
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