BALL 1.5.0
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#include <BALL/QSAR/simpleDescriptors.h>
Additional Inherited Members | |
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typedef ResultType | result_type |
typedef ArgumentType | argument_type |
typedef ArgumentType & | argument_reference |
typedef const ArgumentType & | const_argument_reference |
typedef ArgumentType * | argument_pointer |
typedef const ArgumentType * | const_argument_pointer |
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bool | isValid_ (AtomContainer &ac) |
void | calculate_ (AtomContainer &ac) |
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This descriptor counts the number of rotatable bonds, a bond ia rotatble if it is heavy, not in a ring and not bounds lone atoms like halogens.
Definition at line 932 of file simpleDescriptors.h.
BALL::NumberOfRotatableBonds::NumberOfRotatableBonds | ( | ) |
Default constructor
BALL::NumberOfRotatableBonds::NumberOfRotatableBonds | ( | const NumberOfRotatableBonds & | nrb | ) |
Copy constructor
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virtual |
Destructors
NumberOfRotatableBonds & BALL::NumberOfRotatableBonds::operator= | ( | const NumberOfRotatableBonds & | nrb | ) |
Assignment operator