BALL::RelNumberOfRotatableBonds Class Reference

#include <BALL/QSAR/simpleDescriptors.h>

Inheritance diagram for BALL::RelNumberOfRotatableBonds:

List of all members.

Public Member Functions
Constructors and Destructors
	RelNumberOfRotatableBonds ()
	RelNumberOfRotatableBonds (const RelNumberOfRotatableBonds &rnrb)
virtual	~RelNumberOfRotatableBonds ()
Assignment
RelNumberOfRotatableBonds &	operator= (const RelNumberOfRotatableBonds &rnrb)
Accessors
double	compute (AtomContainer &ac)

---

Detailed Description

This descriptor returns the fraction of rotatble bonds. It is calculated by deviding the number of rotatable bonds by the number of bonds

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Constructor & Destructor Documentation

BALL::RelNumberOfRotatableBonds::RelNumberOfRotatableBonds

(

)

Default constructor

BALL::RelNumberOfRotatableBonds::RelNumberOfRotatableBonds

(

const RelNumberOfRotatableBonds &

rnrb

)

Copy constructor

virtual BALL::RelNumberOfRotatableBonds::~RelNumberOfRotatableBonds

(

)

[virtual]

Destructor

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Member Function Documentation

double BALL::RelNumberOfRotatableBonds::compute

(

AtomContainer &

ac

)

[virtual]

Reimplemented from BALL::Descriptor.

RelNumberOfRotatableBonds& BALL::RelNumberOfRotatableBonds::operator=

(

const RelNumberOfRotatableBonds &

rnrb

)

Assignment operator