BALL
1.4.79
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#include <BALL/QSAR/simpleDescriptors.h>
Additional Inherited Members | |
Public Types inherited from BALL::UnaryFunctor< AtomContainer, Processor::Result > | |
typedef Processor::Result | result_type |
typedef AtomContainer | argument_type |
typedef AtomContainer & | argument_reference |
typedef const AtomContainer & | const_argument_reference |
typedef AtomContainer * | argument_pointer |
typedef const AtomContainer * | const_argument_pointer |
Protected Member Functions inherited from BALL::SimpleBase | |
bool | isValid_ (AtomContainer &ac) |
void | calculate_ (AtomContainer &ac) |
Predicates |
This descriptor adds up the y-axis component of the principal moment of inertia over all atoms, calculated from the filed coordinates!
Definition at line 1465 of file simpleDescriptors.h.
BALL::PrincipalMomentOfInertiaY::PrincipalMomentOfInertiaY | ( | ) |
Default constructor
BALL::PrincipalMomentOfInertiaY::PrincipalMomentOfInertiaY | ( | const PrincipalMomentOfInertiaY & | pmiy | ) |
Copy constructor
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virtual |
Destructor
PrincipalMomentOfInertiaY& BALL::PrincipalMomentOfInertiaY::operator= | ( | const PrincipalMomentOfInertiaY & | pmiy | ) |
Assignment operator