BALL::RelNumberOfRotatableBonds Class Reference

#include <BALL/QSAR/simpleDescriptors.h>

Inheritance diagram for BALL::RelNumberOfRotatableBonds:

[legend]

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

Definition at line 967 of file simpleDescriptors.h.

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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