BALL::AssignShiftProcessor Class Reference
[NMR spectra
and related classes]
Set
a property called chemical_shift. More...
#include <assignShiftProcessor.h>
Inheritance diagram for BALL::AssignShiftProcessor:
[legend]
Public Member Functions |
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Constructors and Destructors
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| AssignShiftProcessor () | |
| Default constructor. |
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| AssignShiftProcessor (const vector< NMRAtomData > &atom_data) | |
| Detailed constructor. |
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| AssignShiftProcessor (const AssignShiftProcessor &processor) | |
| Copy constructor. |
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| virtual | ~AssignShiftProcessor () |
| Destructor. |
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Processor specific functions.
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| virtual bool | start () |
| Start method. |
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| virtual Processor::Result | operator() (Composite &composite) |
| Application method. |
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Accessors
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| void | setFragmentDB (const FragmentDB *db) |
| const FragmentDB * | getFragmentDB () |
| bool | isValid () const |
| Return the state of the
object. |
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Protected Attributes |
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| 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.
