BALL
1.5.0
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include
BALL
MOLMEC
COMMON
bendComponent.h
Go to the documentation of this file.
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// -*- Mode: C++; tab-width: 2; -*-
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// vi: set ts=2:
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//
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// Molecular Mechanics: Amber force field, bond stretch component
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#ifndef BALL_MOLMEC_COMMON_BENDCOMPONENT_H
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#define BALL_MOLMEC_COMMON_BENDCOMPONENT_H
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#ifndef BALL_COMMON_H
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# include <
BALL/common.h
>
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#endif
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#ifndef BALL_MOLMEC_COMMON_FORCEFIELDCOMPONENT_H
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# include <
BALL/MOLMEC/COMMON/forceFieldComponent.h
>
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#endif
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#ifndef BALL_MOLMEC_PARAMETER_QUADRATICANGLEBEND_H
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# include <
BALL/MOLMEC/PARAMETER/quadraticAngleBend.h
>
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#endif
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namespace
BALL
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{
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class
ForceField;
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class
BALL_EXPORT
BendComponent
:
public
ForceFieldComponent
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{
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public
:
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BALL_CREATE
(
BendComponent
)
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BendComponent
();
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BendComponent
(
ForceField
& force_field);
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virtual ~
BendComponent
();
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virtual
double
updateEnergy();
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virtual
void
updateForces();
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protected:
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/*_ @name Private Attributes
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*/
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//_@{
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/*_ pointer to the array of bends
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*/
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vector<
QuadraticAngleBend
::Data> bend_;
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QuadraticAngleBend
bend_parameters_;
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//_@}
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};
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}
// namespace BALL
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#endif
//BALL_MOLMEC_COMMON_BENDCOMPONENT_H
common.h
BALL_CREATE
#define BALL_CREATE(name)
Definition
create.h:62
forceFieldComponent.h
quadraticAngleBend.h
BALL
Definition
constants.h:13
BALL::BendComponent
Definition
bendComponent.h:29
BALL::ForceField
Definition
forceField.h:86
BALL::ForceFieldComponent
Definition
forceFieldComponent.h:35
BALL::QuadraticAngleBend
Definition
quadraticAngleBend.h:30
BALL_EXPORT
#define BALL_EXPORT
Definition
COMMON/global.h:50
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