BALL::AssignRadiusProcessor Class Reference
[Miscellaneous]

#include <BALL/STRUCTURE/defaultProcessors.h>

Inheritance diagram for BALL::AssignRadiusProcessor:

Public Member Functions
	AssignRadiusProcessor ()
	Default constructor.
	AssignRadiusProcessor (const String &filename) throw (Exception::FileNotFound)
virtual bool	start ()
virtual bool	finish ()
virtual Processor::Result	operator() (Atom &atom)
void	setFilename (const String &filename) throw (Exception::FileNotFound)
String &	getFilename ()
Size	getNumberOfAssignments ()
Size	getNumberOfErrors ()
Protected Member Functions
bool	buildTable_ () throw (Exception::FileNotFound)
Protected Attributes
String	filename_
StringHashMap< float >	table_
Size	number_of_errors_
Size	number_of_assignments_

Detailed Description

Assigns the radius to each atom. This processor reads a radius table from a file and assigns each atom a radius according to its name and the name of the fragment the atom is contained in.

Definition at line 62 of file defaultProcessors.h.

Constructor & Destructor Documentation

BALL::AssignRadiusProcessor::AssignRadiusProcessor ( )

Default constructor.

BALL::AssignRadiusProcessor::AssignRadiusProcessor ( const String & filename ) throw (Exception::FileNotFound)

Detailled constructor. If the file can not be found in the actual path, FileNotFound is thrown.

Member Function Documentation

bool BALL::AssignRadiusProcessor::buildTable_ ( ) throw (Exception::FileNotFound) [protected]

virtual bool BALL::AssignRadiusProcessor::finish ( ) [virtual]

Finish method. Allways returns true and does nothing.

Reimplemented from BALL::UnaryProcessor< Atom >.

String& BALL::AssignRadiusProcessor::getFilename ( )

Return the current filename

Size BALL::AssignRadiusProcessor::getNumberOfAssignments ( )

Return the number of assigned atoms.

Size BALL::AssignRadiusProcessor::getNumberOfErrors ( )

Return the number of unassignable atoms. Only the atoms from the container, which cannot be matched, count as errors. The unmatched atoms from the file dont care.

virtual Processor::Result BALL::AssignRadiusProcessor::operator() ( Atom & atom ) [virtual]

Applicator method The full names of all atoms in the container are compared to the atomnames from the file. For all matching atoms, the radii from the file are set. If for an atom from the container no matching atom from the file can be found, a warning is displayed and the number of errors increases. If in the file, the is a nonmatching atom, nothing happens.