BALL::AssignShiftProcessor Class Reference
[NMR spectra and related classes]
#include <BALL/NMR/assignShiftProcessor.h>
Inheritance diagram for BALL::AssignShiftProcessor:
Public Member Functions | |
Constructors and Destructors | |
| AssignShiftProcessor () | |
| AssignShiftProcessor (const vector< NMRAtomData > &atom_data) | |
| AssignShiftProcessor (const AssignShiftProcessor &processor) | |
| virtual | ~AssignShiftProcessor () |
Processor specific functions. | |
| virtual bool | start () |
| virtual Processor::Result | operator() (Composite &composite) |
Accessors | |
| void | setFragmentDB (const FragmentDB *db) |
| const FragmentDB * | getFragmentDB () |
| bool | isValid () const |
Protected Attributes | |
| StringHashMap< float > | shift_table_ |
| const std::vector< NMRAtomData > & | atom_data_ |
| const Molecule * | molecule_ |
| Position | number_of_fragment_ |
| FragmentDB * | fragment_db_ |
Detailed Description
Set a property called chemical_shift. You have to set the FragmentDB after you create an instance of this processor.
Constructor & Destructor Documentation
| BALL::AssignShiftProcessor::AssignShiftProcessor | ( | ) |
Default constructor
| BALL::AssignShiftProcessor::AssignShiftProcessor | ( | const vector< NMRAtomData > & | atom_data | ) |
Detailed constructor.
| BALL::AssignShiftProcessor::AssignShiftProcessor | ( | const AssignShiftProcessor & | processor | ) |
Copy constructor.
| virtual BALL::AssignShiftProcessor::~AssignShiftProcessor | ( | ) | [virtual] |
Destructor
Member Function Documentation
| const FragmentDB* BALL::AssignShiftProcessor::getFragmentDB | ( | ) |
| bool BALL::AssignShiftProcessor::isValid | ( | ) | const |
Return the state of the object
| virtual Processor::Result BALL::AssignShiftProcessor::operator() | ( | Composite & | composite | ) | [virtual] |
Application method
Reimplemented from BALL::UnaryProcessor< Composite >.
| void BALL::AssignShiftProcessor::setFragmentDB | ( | const FragmentDB * | db | ) |
| virtual bool BALL::AssignShiftProcessor::start | ( | ) | [virtual] |
Start method.
Reimplemented from BALL::UnaryProcessor< Composite >.
Member Data Documentation
const std::vector<NMRAtomData>& BALL::AssignShiftProcessor::atom_data_ [protected] |
FragmentDB* BALL::AssignShiftProcessor::fragment_db_ [protected] |
const Molecule* BALL::AssignShiftProcessor::molecule_ [protected] |
StringHashMap<float> BALL::AssignShiftProcessor::shift_table_ [protected] |