spaceGroupParameters.h

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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 
{
  class BALL_EXPORT SpaceGroupParameters 
    : public ParameterSection
  {
    public:

    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