BALL
1.4.79
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#include <BALL/STRUCTURE/fragmentDB.h>
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 |
Processor specific methods | |
virtual bool | start () |
virtual bool | finish () |
virtual Processor::Result | operator() (Fragment &fragment) |
Public Member Functions inherited from BALL::UnaryProcessor< Fragment > | |
UnaryProcessor () | |
UnaryProcessor (const UnaryProcessor &) | |
virtual | ~UnaryProcessor () |
Additional Inherited Members | |
Public Types inherited from BALL::UnaryFunctor< Fragment, Processor::Result > | |
typedef Processor::Result | result_type |
typedef Fragment | argument_type |
typedef Fragment & | argument_reference |
typedef const Fragment & | const_argument_reference |
typedef Fragment * | argument_pointer |
typedef const Fragment * | const_argument_pointer |
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.
BALL::FragmentDB::NormalizeNamesProcessor::NormalizeNamesProcessor | ( | ) |
Default constructor
BALL::FragmentDB::NormalizeNamesProcessor::NormalizeNamesProcessor | ( | FragmentDB & | db | ) |
Constructor
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virtual |
Destructor
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virtual |
Finish method
Reimplemented from BALL::UnaryProcessor< Fragment >.
const String& BALL::FragmentDB::NormalizeNamesProcessor::getNamingStandard | ( | ) |
Retrieve the current naming standard
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
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virtual |
Application method
Reimplemented from BALL::UnaryProcessor< Fragment >.
void BALL::FragmentDB::NormalizeNamesProcessor::setFragmentDB | ( | FragmentDB & | db | ) |
Bind the processor to a fragment database.
void BALL::FragmentDB::NormalizeNamesProcessor::setNamingStandard | ( | const String & | naming_standard | ) |
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virtual |
Start method
Reimplemented from BALL::UnaryProcessor< Fragment >.