BALL::ShiftModel Class Reference
[Shift model classes]
#include <BALL/NMR/shiftModel.h>
Public Types | |
Type definitions | |
| typedef List< ShiftModule * > | ModuleList |
| typedef void *(* | CreateMethod )() |
| typedef StringHashMap < CreateMethod > | CreateMethodMap |
Public Member Functions | |
Constructors and Destructors | |
| ShiftModel () | |
| ShiftModel (const String &filename) | |
| ShiftModel (const ShiftModel &model) | |
| virtual | ~ShiftModel () |
| void | clear () |
Accessors | |
| Parameters & | getParameters () |
| ModuleList & | getModuleList () |
| void | setFilename (const String &filename) throw (Exception::FileNotFound) |
| const String & | getFilename () const |
| void | registerModule (const String &name, CreateMethod method) throw (Exception::NullPointer) |
| void | unregisterModule (const String &name) |
Predicates | |
| bool | isValid () const |
| bool | isRegistered (const String &name) const |
Assignment | |
| const ShiftModel & | operator= (const ShiftModel &model) |
| const ShiftModel & | operator= (const String &filename) |
Processor related methods | |
| bool | start () |
| bool | finish () |
| Processor::Result | operator() (Composite &composite) |
Public Attributes | |
Public Attributes | |
| Options | options |
Static Public Attributes | |
Constants | |
| static const char * | MODULE_LIST_SECTION |
Protected Member Functions | |
| bool | init_ () throw (Exception::FileNotFound) |
| ShiftModule * | createModule_ (const String &type, const String &name) const |
| void | registerStandardModules_ () |
Protected Attributes | |
| Parameters | parameters_ |
| ModuleList | modules_ |
| CreateMethodMap | registered_modules_ |
| bool | valid_ |
Detailed Description
A class representing a complete parameterized NMR shift model. The model consists of a set of single contributions (e.g. ring curent, magnetic anisotropy, etc.). Each of these contributions is calculated by a separate ShiftModule object. ShiftModel contains a list of these processors and is also derived from ShiftModul. Hence, it can be applied to arbitrary kernel objects in the same fashion as ShiftModule s.
Member Typedef Documentation
| typedef void*(* BALL::ShiftModel::CreateMethod)() |
The creation method type. This type describes a method that can construct an object of type ShiftModule.
The creation method hash map type. This type is used internally to store the creation method corresponding to a certain symbolic name (usually the class name).
| typedef List<ShiftModule*> BALL::ShiftModel::ModuleList |
The module list type
Constructor & Destructor Documentation
| BALL::ShiftModel::ShiftModel | ( | ) |
Default Constructor
| BALL::ShiftModel::ShiftModel | ( | const String & | filename | ) |
Detailed Constructor
| BALL::ShiftModel::ShiftModel | ( | const ShiftModel & | model | ) |
Copy constructor
| virtual BALL::ShiftModel::~ShiftModel | ( | ) | [virtual] |
Destructor
Member Function Documentation
| void BALL::ShiftModel::clear | ( | ) | [virtual] |
Clear method. This method destructs all shift modules in the module list. Then, it clears the module list, the parameters, and the options.
Reimplemented from BALL::ShiftModule.
| ShiftModule* BALL::ShiftModel::createModule_ | ( | const String & | type, | |
| const String & | name | |||
| ) | const [protected] |
| bool BALL::ShiftModel::finish | ( | ) | [virtual] |
Finish method
Reimplemented from BALL::ShiftModule.
| const String& BALL::ShiftModel::getFilename | ( | ) | const |
Return the parameter filename.
| ModuleList& BALL::ShiftModel::getModuleList | ( | ) |
Return the list of modules
| Parameters& BALL::ShiftModel::getParameters | ( | ) |
| bool BALL::ShiftModel::init_ | ( | ) | throw (Exception::FileNotFound) [protected] |
Check whether a module of this name is registered
| bool BALL::ShiftModel::isValid | ( | ) | const |
Validity flag
Reimplemented from BALL::ShiftModule.
| Processor::Result BALL::ShiftModel::operator() | ( | Composite & | composite | ) | [virtual] |
Application method
Reimplemented from BALL::UnaryProcessor< Composite >.
| const ShiftModel& BALL::ShiftModel::operator= | ( | const String & | filename | ) |
Assignment operator (via filename).
| const ShiftModel& BALL::ShiftModel::operator= | ( | const ShiftModel & | model | ) |
Assignment operator
| void BALL::ShiftModel::registerModule | ( | const String & | name, | |
| CreateMethod | method | |||
| ) | throw (Exception::NullPointer) |
Register a new module type.
| void BALL::ShiftModel::registerStandardModules_ | ( | ) | [protected] |
| void BALL::ShiftModel::setFilename | ( | const String & | filename | ) | throw (Exception::FileNotFound) |
Set the parameter filename.
| bool BALL::ShiftModel::start | ( | ) | [virtual] |
Start method
Reimplemented from BALL::ShiftModule.
| void BALL::ShiftModel::unregisterModule | ( | const String & | name | ) |
Unregister a module type.
Member Data Documentation
const char* BALL::ShiftModel::MODULE_LIST_SECTION [static] |
The name of the section containing the module types and names of the model
ModuleList BALL::ShiftModel::modules_ [protected] |
Parameters BALL::ShiftModel::parameters_ [protected] |
Reimplemented from BALL::ShiftModule.
CreateMethodMap BALL::ShiftModel::registered_modules_ [protected] |
bool BALL::ShiftModel::valid_ [protected] |
Reimplemented from BALL::ShiftModule.