/usr/include/BALL/SOLVATION/molecularSurfaceGrid.h is in libball1.4-dev 1.4.3~beta1-4.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 | // -*- 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;
/** calculateSESGrid
\ingroup Solvation
*/
BALL_EXPORT TRegularData3D<char>* calculateSESGrid
(const Vector3& lower, const Vector3& upper,
float spacing, const System& system, float probe_radius);
/** calculateSASGrid
\ingroup Solvation
*/
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
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