BALL::RandomCoilShiftProcessor Class Reference
[Shift modules]
#include <BALL/NMR/randomCoilShiftProcessor.h>
Public Member Functions | |
Constructors and Destructors | |
| RandomCoilShiftProcessor () | |
| RandomCoilShiftProcessor (const RandomCoilShiftProcessor &processor) | |
| virtual | ~RandomCoilShiftProcessor () |
Accessors | |
| virtual void | init () |
Processor specific functions. | |
| virtual Processor::Result | operator() (Composite &composite) |
Static Public Attributes | |
Enums and Constants | |
| static const char * | PROPERTY__RANDOM_COIL_SHIFT |
Protected Attributes | |
| StringHashMap< float > | shift_map_ |
Detailed Description
Random coil shift assignment processor.
Constructor & Destructor Documentation
| BALL::RandomCoilShiftProcessor::RandomCoilShiftProcessor | ( | ) |
Default constructor.
| BALL::RandomCoilShiftProcessor::RandomCoilShiftProcessor | ( | const RandomCoilShiftProcessor & | processor | ) |
Copy constructor.
| virtual BALL::RandomCoilShiftProcessor::~RandomCoilShiftProcessor | ( | ) | [virtual] |
Destructor
Member Function Documentation
| virtual void BALL::RandomCoilShiftProcessor::init | ( | ) | [virtual] |
Initialize the module. This method fails if no Parameters object was assigned or the parameter file does not contain the proper section (RandomCoilShifts). If it terminates correctly, the module is valid.
- See also:
- isValid
Reimplemented from BALL::ShiftModule.
| virtual Processor::Result BALL::RandomCoilShiftProcessor::operator() | ( | Composite & | composite | ) | [virtual] |
Application method. If current object is a Atom of kind Hydrogen its random coil shift has to be looked up in rc_table. Get Hydrogens residue name append ":" and its name, the lookup entry is reconstruced. If this entry is found within the table the randomcoil shift is added to the Hydrogens chemical shift. If this entry is not found the random coil shift is set to 1000 and added as well to the Hydrogens chemical shift, to mark that Hydrogen not to have a random coil shift table entry.
Reimplemented from BALL::UnaryProcessor< Composite >.
Member Data Documentation
const char* BALL::RandomCoilShiftProcessor::PROPERTY__RANDOM_COIL_SHIFT [static] |
A symbolic name for the random coil contribution to the chemical shift
- See also:
- ShiftModule::PROPERTY__SHIFT
StringHashMap<float> BALL::RandomCoilShiftProcessor::shift_map_ [protected] |