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

Referenced by OBSpectrophore::_getBox().

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