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molecularSurfaceGrid.h
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// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
// $Id: molecularSurfaceGrid.h,v 1.15 2005/12/23 17:01:59 amoll Exp $
//
#ifndef BALL_SOLVATION_MOLECULARSURFACEGRID_H
#define BALL_SOLVATION_MOLECULARSURFACEGRID_H
#ifndef BALL_COMMON_H
# include <BALL/common.h>
#endif
#ifndef BALL_MATHS_VECTOR3_H
# include <BALL/MATHS/vector3.h>
#endif
#ifndef BALL_KERNEL_SYSTEM_H
# include <BALL/KERNEL/system.h>
#endif
#ifndef BALL_DATATYPE_REGULARDATA3D_H
# include <BALL/DATATYPE/regularData3D.h>
#endif
namespace BALL
{
// Define the entry values for an SES or SAS grid
BALL_EXPORT extern const char CCONN__INSIDE;
BALL_EXPORT extern const char CCONN__OUTSIDE;
BALL_EXPORT extern const char CCONN__INSIDE_PROBE;
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);
} // namespace BALL
#endif // BALL_SOLVATION_MOLECULARSURFACEGRID_H
BALL_EXPORT
#define BALL_EXPORT
Definition COMMON/global.h:50
system.h
BALL::System
Definition KERNEL/system.h:40
BALL::TRegularData3D
Definition regularData3D.h:46
common.h
BALL::calculateSESGrid
BALL_EXPORT TRegularData3D< char > * calculateSESGrid(const Vector3 &lower, const Vector3 &upper, float spacing, const System &system, float probe_radius)
BALL::calculateSASGrid
BALL_EXPORT TRegularData3D< char > * calculateSASGrid(const Vector3 &lower, const Vector3 &upper, float spacing, const System &system, float probe_radius)
BALL
Definition constants.h:13
BALL::CCONN__OUTSIDE
BALL_EXPORT const char CCONN__OUTSIDE
BALL::Vector3
TVector3< float > Vector3
Definition vector3.h:1084
BALL::CCONN__INSIDE
BALL_EXPORT const char CCONN__INSIDE
BALL::CCONN__INSIDE_PROBE
BALL_EXPORT const char CCONN__INSIDE_PROBE
regularData3D.h
vector3.h