Open Babel: spectrophore.h File Reference

Classes | Namespaces | Defines

# spectrophore.h File Reference

Class to compute Spectrophores™. More...

`#include <set>`
`#include <openbabel/mol.h>`

Go to the source code of this file.

## Classes
class | OBSpectrophore
| Class to compute Spectrophores™. More...
## Namespaces
namespace | OpenBabel
## Defines
#define | MIN(x, y) (((x) < (y)) ? (x) : (y))
#define | MAX(x, y) (((x) > (y)) ? (x) : (y))
#define | N_PROPERTIES 4

## Detailed Description

Class to compute Spectrophores™.

Author:
  Hans De Winter

Date:
  2010-06-30

Version:
  1

## Define Documentation

#define MIN | ( |  | x,
|  |  | y
| ) |  | (((x) < (y)) ? (x) : (y))

Referenced by OBSpectrophore::_getBox(), and OBSpectrophore::_updateSpectrophore().

#define MAX | ( |  | x,
|  |  | y
| ) |  | (((x) > (y)) ? (x) : (y))

Referenced by OBSpectrophore::_getBox().

#define N_PROPERTIES 4

Referenced by OBSpectrophore::_getEnergies(), OBSpectrophore::_initiateSpectrophore(), OBSpectrophore::_updateSpectrophore(), and OBSpectrophore::GetSpectrophore().

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