/usr/include/BALL/QSAR/surfaceBase.h is in libball1.4-dev 1.4.3~beta1-3.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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// vi: set ts=2:
//
//
#ifndef BALL_QSAR_SURFACEBASE_H
#define BALL_QSAR_SURFACEBASE_H
#ifndef BALL_QSAR_DESCRIPTOR_H
#include <BALL/QSAR/descriptor.h>
#endif
namespace BALL
{
/** Generic QSAR molecular surface descriptors class
\\
*/
class BALL_EXPORT SurfaceBase
: public Descriptor
{
public:
BALL_CREATE(SurfaceBase)
/** @name Constructors and Destructors
*/
//@{
/** Default constructor
*/
SurfaceBase();
/** Copy constructor
*/
SurfaceBase(const SurfaceBase& sb);
/** Named constructor
*/
SurfaceBase(const String& name);
/** Named unity constructor
*/
SurfaceBase(const String& name, const String& unit);
/** Destructor
*/
virtual ~SurfaceBase();
//@}
/** @name Accessors
*/
//@{
void computeAllDescriptors(AtomContainer& ac);
//@}
/** @name Assignment
*/
//@{
/** Assignment operator
*/
SurfaceBase& operator = (const SurfaceBase& sb);
//@}
protected:
/** @name Predicates
*/
//@{
bool isValid_(AtomContainer& ac);
//@}
/** @name Accessors
*/
//@{
void calculate_(AtomContainer& ac);
//@}
};
} // namespace BALL
#endif
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