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// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
#ifndef BALL_XRAY_SPACEGROUPPARAMETERS_H
#define BALL_XRAY_SPACEGROUPPARAMETERS_H
#ifndef BALL_FORMAT_PARAMETERSECTION_H
# include <BALL/FORMAT/parameterSection.h>
#endif
#ifndef BALL_MATHS_MATRIX44_H
# include <BALL/MATHS/matrix44.h>
#endif
namespace BALL
{
/** SpaceGroupParameters.
\ingroup XRay
*/
class BALL_EXPORT SpaceGroupParameters
: public ParameterSection
{
public:
/** Default constructor.
*/
SpaceGroupParameters();
virtual ~SpaceGroupParameters();
virtual void clear();
virtual bool extractSpaceGroup(Parameters& parameters, const String& space_group);
virtual bool extractSpaceGroup(Parameters& parameters, const Position iucr_no);
//std::vector<Matrix4x4> getSymMatrices();
protected:
std::vector<Matrix4x4> symops_;
};
} // namespace BALL
#endif // BALL_XRAY_SPACEGROUPPARAMETERS_H
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