Open Babel  3.0
Classes | Namespaces | Macros | Typedefs
rotor.h File Reference
#include <openbabel/parsmart.h>
#include <openbabel/typer.h>
#include <openbabel/bitvec.h>

Go to the source code of this file.

Classes

class  OBRotorRule
 
class  OBRotorRules
 
class  OBRotor
 
class  OBRotorList
 
class  OBRotorKeys
 

Namespaces

 OpenBabel
 

Macros

#define SQUARE(x)   ((x)*(x))
 

Typedefs

typedef std::vector< OBRotor * >::iterator OBRotorIterator
 

Detailed Description

Rotate torsional according to rotor rules.

Macro Definition Documentation

◆ SQUARE

#define SQUARE (   x)    ((x)*(x))