BALL  1.4.1
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List of all members
BALL::PrincipalMomentOfInertiaZ Class Reference

#include <BALL/QSAR/simpleDescriptors.h>

Inheritance diagram for BALL::PrincipalMomentOfInertiaZ:
BALL::SimpleBase BALL::Descriptor BALL::UnaryProcessor< AtomContainer > BALL::UnaryFunctor< AtomContainer, Processor::Result >

Public Member Functions

Constructor and Destrcutors
 PrincipalMomentOfInertiaZ ()
 PrincipalMomentOfInertiaZ (const PrincipalMomentOfInertiaZ &pmiz)
virtual ~PrincipalMomentOfInertiaZ ()
Assignment
PrincipalMomentOfInertiaZoperator= (const PrincipalMomentOfInertiaZ &pmiz)
- Public Member Functions inherited from BALL::SimpleBase
 SimpleBase ()
 SimpleBase (const SimpleBase &sb)
 SimpleBase (const String &name)
 SimpleBase (const String &name, const String &unit)
virtual ~SimpleBase ()
virtual SimpleBaseoperator= (const SimpleBase &sb)
void computeAllDescriptors (AtomContainer &ac)
void setDataFolder (const char *folder)
- Public Member Functions inherited from BALL::Descriptor
 Descriptor ()
 Descriptor (const Descriptor &descriptor)
 Descriptor (const String &name)
 Descriptor (const String &name, const String &unit)
virtual ~Descriptor ()
Descriptoroperator= (const Descriptor &descriptor)
Processor::Result operator() (AtomContainer &ac)
const StringgetName () const
void setName (const String &name)
void setUnit (const String &name)
const StringgetUnit () const
virtual double compute (AtomContainer &ac)
- Public Member Functions inherited from BALL::UnaryProcessor< AtomContainer >
 UnaryProcessor ()
 UnaryProcessor (const UnaryProcessor &)
virtual ~UnaryProcessor ()
virtual bool start ()
virtual bool finish ()

Additional Inherited Members

- Public Types inherited from BALL::UnaryFunctor< AtomContainer, Processor::Result >
typedef Processor::Result result_type
typedef AtomContainer argument_type
typedef AtomContainerargument_reference
typedef const AtomContainerconst_argument_reference
typedef AtomContainerargument_pointer
typedef const AtomContainerconst_argument_pointer
- Protected Member Functions inherited from BALL::SimpleBase
void calculate_ (AtomContainer &ac)
bool isValid_ (AtomContainer &ac)
Predicates

Detailed Description

This descriptor adds up the z-axis component of the principal moment of interia over all atoms, calculated from the filed coordinates!

Definition at line 1501 of file simpleDescriptors.h.

Constructor & Destructor Documentation

BALL::PrincipalMomentOfInertiaZ::PrincipalMomentOfInertiaZ ( )

Default constructor

BALL::PrincipalMomentOfInertiaZ::PrincipalMomentOfInertiaZ ( const PrincipalMomentOfInertiaZ pmiz)

Copy constructor

virtual BALL::PrincipalMomentOfInertiaZ::~PrincipalMomentOfInertiaZ ( )
virtual

Destructor

Member Function Documentation

PrincipalMomentOfInertiaZ& BALL::PrincipalMomentOfInertiaZ::operator= ( const PrincipalMomentOfInertiaZ pmiz)

Assignment operator