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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
BALL_EXPORT
#define BALL_EXPORT
Definition COMMON/global.h:50
BALL::ParameterSection::ParameterSection
ParameterSection()
BALL::Parameters
Definition parameters.h:25
BALL::SpaceGroupParameters::symops_
std::vector< Matrix4x4 > symops_
Definition spaceGroupParameters.h:38
BALL::SpaceGroupParameters::clear
virtual void clear()
BALL::SpaceGroupParameters::extractSpaceGroup
virtual bool extractSpaceGroup(Parameters &parameters, const Position iucr_no)
BALL::SpaceGroupParameters::extractSpaceGroup
virtual bool extractSpaceGroup(Parameters &parameters, const String &space_group)
BALL::SpaceGroupParameters::~SpaceGroupParameters
virtual ~SpaceGroupParameters()
BALL::SpaceGroupParameters::SpaceGroupParameters
SpaceGroupParameters()
BALL::String
Definition string.h:57
matrix44.h
BALL
Definition constants.h:13
BALL::Position
BALL_SIZE_TYPE Position
Definition COMMON/global.h:140
parameterSection.h