BALL 1.5.0
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#include <BALL/NMR/experiment.h>

Inheritance diagram for BALL::SimpleExperiment1D:
BALL::Experiment< PeakListType > BALL::ShiftModule BALL::UnaryProcessor< Composite > BALL::UnaryFunctor< Composite, Processor::Result >

Public Member Functions

Constructors and destructors
 SimpleExperiment1D ()
 Default constructor.
 
 SimpleExperiment1D (const SimpleExperiment1D &experiment)
 Copy constructor.
 
virtual ~SimpleExperiment1D ()
 Destructor.
 
Processor related methods
virtual bool start ()
 
virtual Processor::Result operator() (Composite &composite)
 
- Public Member Functions inherited from BALL::Experiment< PeakListType >
 Experiment ()
 
 Experiment (const Experiment &experiment)
 
virtual ~Experiment ()
 
const PeakListType & getPeakList () const
 
const PeakTypegetDefaultPeak () const
 
void setDefaultPeak (const PeakType &peak)
 
- Public Member Functions inherited from BALL::ShiftModule
 ShiftModule ()
 
 ShiftModule (Parameters &parameters, const String &name="")
 
 ShiftModule (const ShiftModule &module)
 
virtual ~ShiftModule ()
 
virtual void clear ()
 
const ShiftModuleoperator= (const ShiftModule &module)
 
void setName (const String &name)
 
const StringgetName () const
 
void setParameters (Parameters &parameters)
 
const ParametersgetParameters () const
 
virtual void init ()
 
virtual bool finish ()
 
bool isValid () const
 
- Public Member Functions inherited from BALL::UnaryProcessor< Composite >
 UnaryProcessor ()
 
 UnaryProcessor (const UnaryProcessor &)
 
virtual ~UnaryProcessor ()
 

Accessors

Expression expression_
 
void setExpression (const String &expression)
 
const ExpressiongetExpression () const
 

Additional Inherited Members

- Public Types inherited from BALL::Experiment< PeakListType >
typedef PeakListType::PeakType PeakType
 The peak type.
 
- Public Types inherited from BALL::UnaryFunctor< Composite, Processor::Result >
typedef Processor::Result result_type
 
typedef Composite argument_type
 
typedef Compositeargument_reference
 
typedef const Compositeconst_argument_reference
 
typedef Compositeargument_pointer
 
typedef const Compositeconst_argument_pointer
 
- Static Public Attributes inherited from BALL::ShiftModule
static const char * PROPERTY__SHIFT
 
static const char * PROPERTY__EXPERIMENTAL__SHIFT
 
- Protected Attributes inherited from BALL::Experiment< PeakListType >
PeakListType peak_list_
 
PeakType default_peak_
 
- Protected Attributes inherited from BALL::ShiftModule
String module_name_
 
Parametersparameters_
 
bool valid_
 

Detailed Description

Simple 1D NMR experiment class. This experiment extracts all atoms with an assigned shift value, which match a given kernel expression. The default expression is "true()", so by default all atoms with an assigned shift value are added to the peak list. The default peak intensity and width are user-defined ( setDefaultPeak ).

Definition at line 157 of file experiment.h.

Constructor & Destructor Documentation

◆ SimpleExperiment1D() [1/2]

BALL::SimpleExperiment1D::SimpleExperiment1D ( )

Default constructor.

◆ SimpleExperiment1D() [2/2]

BALL::SimpleExperiment1D::SimpleExperiment1D ( const SimpleExperiment1D & experiment)

Copy constructor.

◆ ~SimpleExperiment1D()

virtual BALL::SimpleExperiment1D::~SimpleExperiment1D ( )
virtual

Destructor.

Member Function Documentation

◆ getExpression()

const Expression & BALL::SimpleExperiment1D::getExpression ( ) const

◆ operator()()

virtual Processor::Result BALL::SimpleExperiment1D::operator() ( Composite & composite)
virtual

Processor application operator. This operator creates a new peak in the peak list for every atom it encounters that possesses shift data and matches the expression set with setExpression . The default is an empty expression, which matches all atoms. Each peak in the peak list is assigned the intensity and width
defined using setDefaultPeak (defaults to zero).

Reimplemented from BALL::UnaryProcessor< Composite >.

◆ setExpression()

void BALL::SimpleExperiment1D::setExpression ( const String & expression)

◆ start()

virtual bool BALL::SimpleExperiment1D::start ( )
virtual

Initialize the experiment. This method simply clears the internal peak list.

Returns
always true

Reimplemented from BALL::ShiftModule.

Member Data Documentation

◆ expression_

Expression BALL::SimpleExperiment1D::expression_
protected

Definition at line 209 of file experiment.h.