BALL  1.5.0
spaceGroupParameters.h
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1 // -*- Mode: C++; tab-width: 2; -*-
2 // vi: set ts=2:
3 
4 #ifndef BALL_XRAY_SPACEGROUPPARAMETERS_H
5 #define BALL_XRAY_SPACEGROUPPARAMETERS_H
6 
7 #ifndef BALL_FORMAT_PARAMETERSECTION_H
9 #endif
10 
11 #ifndef BALL_MATHS_MATRIX44_H
12 # include <BALL/MATHS/matrix44.h>
13 #endif
14 
15 namespace BALL
16 {
22  : public ParameterSection
23  {
24  public:
25 
29 
31  virtual void clear();
32  virtual bool extractSpaceGroup(Parameters& parameters, const String& space_group);
33  virtual bool extractSpaceGroup(Parameters& parameters, const Position iucr_no);
34  //std::vector<Matrix4x4> getSymMatrices();
35 
36  protected:
37 
38  std::vector<Matrix4x4> symops_;
39  };
40 } // namespace BALL
41 
42 #endif // BALL_XRAY_SPACEGROUPPARAMETERS_H
BALL::Parameters
Definition: parameters.h:25
BALL_EXPORT
#define BALL_EXPORT
Definition: COMMON/global.h:50
BALL::SpaceGroupParameters::SpaceGroupParameters
SpaceGroupParameters()
BALL::SpaceGroupParameters::extractSpaceGroup
virtual bool extractSpaceGroup(Parameters &parameters, const Position iucr_no)
parameterSection.h
BALL::SpaceGroupParameters::~SpaceGroupParameters
virtual ~SpaceGroupParameters()
BALL::SpaceGroupParameters::symops_
std::vector< Matrix4x4 > symops_
Definition: spaceGroupParameters.h:38
BALL::String
Definition: string.h:57
BALL::SpaceGroupParameters::clear
virtual void clear()
BALL
Definition: constants.h:13
BALL::SpaceGroupParameters::extractSpaceGroup
virtual bool extractSpaceGroup(Parameters &parameters, const String &space_group)
BALL_SIZE_TYPE
BALL::SpaceGroupParameters
Definition: spaceGroupParameters.h:23
BALL::ParameterSection
Definition: parameterSection.h:40
matrix44.h