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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The vertex adjacency equality si calculateed using the formula: (-(1-f) \log_2(1-f) - f \log_2 f ), where $f$ is defined as: ( f = \frac{(n^2 -2m)}{n^2}), where $n$ is the number of heavy atoms and $m$ is the number of heavy bonds. If $f$ is not in $(0,1)$ then $0$ is returned.
Definition at line 1054 of file simpleDescriptors.h.
BALL::VertexAdjacencyEquality::VertexAdjacencyEquality | ( | ) |
Default constructor
BALL::VertexAdjacencyEquality::VertexAdjacencyEquality | ( | const VertexAdjacencyEquality & | vae | ) |
Copy constructor
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virtual |
Destructor
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virtual |
Reimplemented from BALL::Descriptor.
VertexAdjacencyEquality& BALL::VertexAdjacencyEquality::operator= | ( | const VertexAdjacencyEquality & | vae | ) |
Assignment operator