BALL 1.5.0
molecularSurfaceGrid.h
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1// -*- Mode: C++; tab-width: 2; -*-
2// vi: set ts=2:
3//
4// $Id: molecularSurfaceGrid.h,v 1.15 2005/12/23 17:01:59 amoll Exp $
5//
6
7#ifndef BALL_SOLVATION_MOLECULARSURFACEGRID_H
8#define BALL_SOLVATION_MOLECULARSURFACEGRID_H
9
10#ifndef BALL_COMMON_H
11# include <BALL/common.h>
12#endif
13
14#ifndef BALL_MATHS_VECTOR3_H
15# include <BALL/MATHS/vector3.h>
16#endif
17
18#ifndef BALL_KERNEL_SYSTEM_H
19# include <BALL/KERNEL/system.h>
20#endif
21
22#ifndef BALL_DATATYPE_REGULARDATA3D_H
24#endif
25
26namespace BALL
27{
28
29 // Define the entry values for an SES or SAS grid
30 BALL_EXPORT extern const char CCONN__INSIDE;
31 BALL_EXPORT extern const char CCONN__OUTSIDE;
32 BALL_EXPORT extern const char CCONN__INSIDE_PROBE;
33
38 (const Vector3& lower, const Vector3& upper,
39 float spacing, const System& system, float probe_radius);
40
45 (const Vector3& lower, const Vector3& upper,
46 float spacing, const System& system, float probe_radius);
47
48
49} // namespace BALL
50
51#endif // BALL_SOLVATION_MOLECULARSURFACEGRID_H
BALL_EXPORT TRegularData3D< char > * calculateSESGrid(const Vector3 &lower, const Vector3 &upper, float spacing, const System &system, float probe_radius)
BALL_EXPORT TRegularData3D< char > * calculateSASGrid(const Vector3 &lower, const Vector3 &upper, float spacing, const System &system, float probe_radius)
Definition: constants.h:13
BALL_EXPORT const char CCONN__OUTSIDE
BALL_EXPORT const char CCONN__INSIDE
BALL_EXPORT const char CCONN__INSIDE_PROBE
#define BALL_EXPORT
Definition: COMMON/global.h:50