BALL
1.5.0
include
BALL
DOCKING
GENETICDOCK
rotateBonds.h
Go to the documentation of this file.
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// ----------------------------------------------------
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// $Maintainer: Marcel Schumann $
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// $Authors: Jan Fuhrmann, Marcel Schumann $
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// ----------------------------------------------------
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#ifndef BALL_DOCKING_GENETICDOCK_ROTATEBONDS_H
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#define BALL_DOCKING_GENETICDOCK_ROTATEBONDS_H
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#include <
BALL/KERNEL/system.h
>
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#include <
BALL/KERNEL/atom.h
>
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#include <
BALL/DATATYPE/hashSet.h
>
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#include <
BALL/KERNEL/protein.h
>
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#include <
BALL/DOCKING/COMMON/staticLigandFragment.h
>
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#include <vector>
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namespace
BALL
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{
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class
RotateBond;
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class
BALL_EXPORT
BALL_DEPRECATED
RotateBonds
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{
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public
:
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RotateBonds
(
const
vector<Bond*>* rotatable_bonds);
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RotateBonds
(
const
RotateBonds
& rb);
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RotateBonds
& operator= (
const
RotateBonds
& rb);
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~RotateBonds
();
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void
rotate
(std::vector<double> vec);
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int
numberBonds
();
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private
:
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std::vector<RotateBond*> bonds_;
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};
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}
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#endif
/* BALL_DOCKING_GENETICDOCK_ROTATEBONDS_H */
protein.h
atom.h
staticLigandFragment.h
hashSet.h
BALL
Definition:
constants.h:13
BALL::RotateBonds
Definition:
rotateBonds.h:23
BALL::RotateBonds::RotateBonds
RotateBonds(const vector< Bond * > *rotatable_bonds)
BALL::RotateBonds::numberBonds
int numberBonds()
BALL::RotateBonds::~RotateBonds
~RotateBonds()
BALL::RotateBonds::rotate
void rotate(std::vector< double > vec)
BALL::RotateBonds::RotateBonds
RotateBonds(const RotateBonds &rb)
BALL_DEPRECATED
#define BALL_DEPRECATED
Definition:
COMMON/global.h:64
BALL_EXPORT
#define BALL_EXPORT
Definition:
COMMON/global.h:50
system.h
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