#include <BALL/STRUCTURE/fragmentDB.h>
Inheritance diagram for BALL::FragmentDB::NormalizeNamesProcessor:
Public Member Functions | |
Constructors and Destructors | |
| NormalizeNamesProcessor () | |
| NormalizeNamesProcessor (FragmentDB &db) | |
| virtual | ~NormalizeNamesProcessor () |
Inspectors and Mutators | |
| void | setFragmentDB (FragmentDB &db) |
| void | setNamingStandard (const String &naming_standard) |
| const String & | getNamingStandard () |
| bool | matchName (String &res_name, String &atom_name, const NameMap &map) const |
 Public Member Functions inherited from BALL::UnaryProcessor< Fragment > | |
| UnaryProcessor () | |
| UnaryProcessor (const UnaryProcessor &) | |
| virtual | ~UnaryProcessor () |
Processor specific methods | |
| virtual bool | start () |
| virtual bool | finish () |
| virtual Processor::Result | operator() (Fragment &fragment) |
Additional Inherited Members | |
| Public Types inherited from BALL::UnaryFunctor< ArgumentType, ResultType > | |
| typedef ResultType | result_type |
| typedef ArgumentType | argument_type |
| typedef ArgumentType & | argument_reference |
| typedef const ArgumentType & | const_argument_reference |
| typedef ArgumentType * | argument_pointer |
| typedef const ArgumentType * | const_argument_pointer |
Detailed Description
Name normalization processor. This class is used to adopt all names in a molecular system to a given naming standard (usually the PDB standard).
Definition at line 254 of file fragmentDB.h.
Constructor & Destructor Documentation
◆ NormalizeNamesProcessor() [1/2]
| BALL::FragmentDB::NormalizeNamesProcessor::NormalizeNamesProcessor | ( | ) |
Default constructor
◆ NormalizeNamesProcessor() [2/2]
| BALL::FragmentDB::NormalizeNamesProcessor::NormalizeNamesProcessor | ( | FragmentDB & | db | ) |
Constructor
◆ ~NormalizeNamesProcessor()
|
virtual |
Destructor
Member Function Documentation
◆ finish()
|
virtual |
Finish method
Reimplemented from BALL::UnaryProcessor< Fragment >.
◆ getNamingStandard()
| const String& BALL::FragmentDB::NormalizeNamesProcessor::getNamingStandard | ( | ) |
Retrieve the current naming standard
◆ matchName()
| bool BALL::FragmentDB::NormalizeNamesProcessor::matchName | ( | String & | res_name, |
| String & | atom_name, | ||
| const NameMap & | map | ||
| ) | const |
Try to match a name in one of the maps
◆ operator()()
|
virtual |
Application method
Reimplemented from BALL::UnaryProcessor< Fragment >.
◆ setFragmentDB()
| void BALL::FragmentDB::NormalizeNamesProcessor::setFragmentDB | ( | FragmentDB & | db | ) |
Bind the processor to a fragment database.
◆ setNamingStandard()
| void BALL::FragmentDB::NormalizeNamesProcessor::setNamingStandard | ( | const String & | naming_standard | ) |
◆ start()
|
virtual |
Start method
Reimplemented from BALL::UnaryProcessor< Fragment >.
