BALL 1.5.0
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BALL::FragmentDB::NormalizeNamesProcessor Class Reference

#include <BALL/STRUCTURE/fragmentDB.h>

Inheritance diagram for BALL::FragmentDB::NormalizeNamesProcessor:
BALL::UnaryProcessor< Fragment > BALL::UnaryFunctor< Fragment, Processor::Result >

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 StringgetNamingStandard ()
 
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< Fragment, Processor::Result >
typedef Processor::Result result_type
 
typedef Fragment argument_type
 
typedef Fragmentargument_reference
 
typedef const Fragmentconst_argument_reference
 
typedef Fragmentargument_pointer
 
typedef const Fragmentconst_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 BALL::FragmentDB::NormalizeNamesProcessor::~NormalizeNamesProcessor ( )
virtual

Destructor

Member Function Documentation

◆ finish()

virtual bool BALL::FragmentDB::NormalizeNamesProcessor::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 Processor::Result BALL::FragmentDB::NormalizeNamesProcessor::operator() ( Fragment & fragment)
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 bool BALL::FragmentDB::NormalizeNamesProcessor::start ( )
virtual

Start method

Reimplemented from BALL::UnaryProcessor< Fragment >.