BALL
1.4.79
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#include <BALL/NMR/experiment.h>
Public Member Functions | |
Constructors and destructors | |
SimpleExperiment1D () | |
Default constructor. More... | |
SimpleExperiment1D (const SimpleExperiment1D &experiment) | |
Copy constructor. More... | |
virtual | ~SimpleExperiment1D () |
Destructor. More... | |
Processor related methods | |
virtual bool | start () |
virtual Processor::Result | operator() (Composite &composite) |
Accessors | |
void | setExpression (const String &expression) |
const Expression & | getExpression () const |
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Experiment () | |
Experiment (const Experiment &experiment) | |
virtual | ~Experiment () |
const PeakListType & | getPeakList () const |
const PeakType & | getDefaultPeak () const |
void | setDefaultPeak (const PeakType &peak) |
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ShiftModule () | |
ShiftModule (Parameters ¶meters, const String &name="") | |
ShiftModule (const ShiftModule &module) | |
virtual | ~ShiftModule () |
virtual void | clear () |
const ShiftModule & | operator= (const ShiftModule &module) |
void | setName (const String &name) |
const String & | getName () const |
void | setParameters (Parameters ¶meters) |
const Parameters * | getParameters () const |
virtual void | init () |
virtual bool | finish () |
bool | isValid () const |
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UnaryProcessor () | |
UnaryProcessor (const UnaryProcessor &) | |
virtual | ~UnaryProcessor () |
Protected Attributes | |
Expression | expression_ |
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PeakListType | peak_list_ |
PeakType | default_peak_ |
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String | module_name_ |
Parameters * | parameters_ |
bool | valid_ |
Additional Inherited Members | |
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typedef PeakListType::PeakType | PeakType |
The peak type. More... | |
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typedef Processor::Result | result_type |
typedef Composite | argument_type |
typedef Composite & | argument_reference |
typedef const Composite & | const_argument_reference |
typedef Composite * | argument_pointer |
typedef const Composite * | const_argument_pointer |
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static const char * | PROPERTY__SHIFT |
static const char * | PROPERTY__EXPERIMENTAL__SHIFT |
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.
BALL::SimpleExperiment1D::SimpleExperiment1D | ( | ) |
Default constructor.
BALL::SimpleExperiment1D::SimpleExperiment1D | ( | const SimpleExperiment1D & | experiment | ) |
Copy constructor.
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virtual |
Destructor.
const Expression& BALL::SimpleExperiment1D::getExpression | ( | ) | const |
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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 >.
void BALL::SimpleExperiment1D::setExpression | ( | const String & | expression | ) |
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virtual |
Initialize the experiment. This method simply clears the internal peak list.
Reimplemented from BALL::ShiftModule.
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protected |
Definition at line 209 of file experiment.h.