BALL
1.4.79
include
BALL
XRAY
spaceGroupParameters.h
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// -*- Mode: C++; tab-width: 2; -*-
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// vi: set ts=2:
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#ifndef BALL_XRAY_SPACEGROUPPARAMETERS_H
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#define BALL_XRAY_SPACEGROUPPARAMETERS_H
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#ifndef BALL_FORMAT_PARAMETERSECTION_H
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# include <
BALL/FORMAT/parameterSection.h
>
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#endif
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#ifndef BALL_MATHS_MATRIX44_H
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# include <
BALL/MATHS/matrix44.h
>
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#endif
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namespace
BALL
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{
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class
BALL_EXPORT
SpaceGroupParameters
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:
public
ParameterSection
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{
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public
:
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SpaceGroupParameters
();
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virtual
~
SpaceGroupParameters
();
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virtual
void
clear();
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virtual
bool
extractSpaceGroup(
Parameters
& parameters,
const
String
& space_group);
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virtual
bool
extractSpaceGroup(
Parameters
& parameters,
const
Position
iucr_no);
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//std::vector<Matrix4x4> getSymMatrices();
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protected
:
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std::vector<Matrix4x4>
symops_
;
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};
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}
// namespace BALL
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#endif // BALL_XRAY_SPACEGROUPPARAMETERS_H
BALL::ParameterSection
Definition:
parameterSection.h:39
BALL::String
Definition:
string.h:61
parameterSection.h
matrix44.h
BALL::SpaceGroupParameters
Definition:
spaceGroupParameters.h:21
BALL::Parameters
Definition:
parameters.h:24
BALL_SIZE_TYPE
BALL
-*- Mode: C++; tab-width: 2; -*-
Definition:
constants.h:12
BALL::SpaceGroupParameters::symops_
std::vector< Matrix4x4 > symops_
Definition:
spaceGroupParameters.h:38
BALL_EXPORT
#define BALL_EXPORT
Definition:
COMMON/global.h:50
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