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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 returns the principle moment of inertia calculated from the filed coordinates!
Definition at line 1394 of file simpleDescriptors.h.
| BALL::PrincipalMomentOfInertia::PrincipalMomentOfInertia | ( | ) |
Default constructor
| BALL::PrincipalMomentOfInertia::PrincipalMomentOfInertia | ( | const PrincipalMomentOfInertia & | pmi | ) |
Copy constructor
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virtual |
Destrcutor
| PrincipalMomentOfInertia& BALL::PrincipalMomentOfInertia::operator= | ( | const PrincipalMomentOfInertia & | pmi | ) |
Assignment operator
1.8.7