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 returns the fraction of rotatble bonds. It is calculated by deviding the number of rotatable bonds by the number of bonds
Definition at line 967 of file simpleDescriptors.h.
BALL::RelNumberOfRotatableBonds::RelNumberOfRotatableBonds | ( | ) |
Default constructor
BALL::RelNumberOfRotatableBonds::RelNumberOfRotatableBonds | ( | const RelNumberOfRotatableBonds & | rnrb | ) |
Copy constructor
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virtual |
Destructor
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virtual |
Reimplemented from BALL::Descriptor.
RelNumberOfRotatableBonds & BALL::RelNumberOfRotatableBonds::operator= | ( | const RelNumberOfRotatableBonds & | rnrb | ) |
Assignment operator