protocols::branch_angle::BranchParam2 Class Reference

a class to store bond angle energy parameters around a single atom atom with four bonded neighbors More...

#include <BranchParam2.hh>

Public Member Functions
	BranchParam2 (core::Real m1_m2_Ktheta, core::Real m1_m2_theta0, core::Real m1_b1_Ktheta, core::Real m1_b1_theta0, core::Real m2_b1_Ktheta, core::Real m2_b1_theta0, core::Real m1_b2_Ktheta, core::Real m1_b2_theta0, core::Real m2_b2_Ktheta, core::Real m2_b2_theta0, core::Real b1_b2_Ktheta, core::Real b1_b2_theta0, core::Real tolerance=0)
core::Real	m1_b2_Ktheta () const
	get Ktheta for mainchain atom 1 - branching atom 2 angle More...
core::Real	m1_b2_theta0 () const
	get theta0 for mainchain atom 1 - branching atom 2 angle More...
core::Real	m2_b2_Ktheta () const
	get Ktheta for mainchain atom 2 - branching atom 2 angle More...
core::Real	m2_b2_theta0 () const
	get theta0 for mainchain atom 2 - branching atom 2 angle More...
core::Real	b1_b2_Ktheta () const
	get Ktheta for branching atom 1 - branching atom 2 angle More...
core::Real	b1_b2_theta0 () const
	get theta0 for branching atom 1 - branching atom 2 angle More...
Public Member Functions inherited from protocols::branch_angle::BranchParam1
	BranchParam1 (core::Real m1_m2_Ktheta, core::Real m1_m2_theta0, core::Real m1_b1_Ktheta, core::Real m1_b1_theta0, core::Real m2_b1_Ktheta, core::Real m2_b1_theta0, core::Real tolerance=0)
core::Real	m1_m2_Ktheta () const
	get Ktheta for mainchain atom 1 - mainchain atom 1 angle More...
core::Real	m1_m2_theta0 () const
	get theta0 for mainchain atom 1 - mainchain atom 1 angle More...
core::Real	m1_b1_Ktheta () const
	get Ktheta for mainchain atom 1 - branching atom 1 angle More...
core::Real	m1_b1_theta0 () const
	get theta0 for mainchain atom 1 - branching atom 1 angle More...
core::Real	m2_b1_Ktheta () const
	get Ktheta for mainchain atom 2 - branching atom 1 angle More...
core::Real	m2_b1_theta0 () const
	get theta0 for mainchain atom 2 - branching atom 1 angle More...

Protected Attributes
core::Real	m1_b2_Ktheta_
core::Real	m1_b2_theta0_
core::Real	m2_b2_Ktheta_
core::Real	m2_b2_theta0_
core::Real	b1_b2_Ktheta_
core::Real	b1_b2_theta0_
Protected Attributes inherited from protocols::branch_angle::BranchParam1
core::Real	m1_m2_Ktheta_
core::Real	m1_m2_theta0_
core::Real	m1_b1_Ktheta_
core::Real	m1_b1_theta0_
core::Real	m2_b1_Ktheta_
core::Real	m2_b1_theta0_
core::Real	tolerance_

Friends
bool	operator< (BranchParam2 const &a, BranchParam2 const &b)
	a is LOWER than b by a given tolerance More...

Detailed Description

a class to store bond angle energy parameters around a single atom atom with four bonded neighbors

Constructor & Destructor Documentation

protocols::branch_angle::BranchParam2::BranchParam2 ( core::Real  m1_m2_Ktheta, core::Real  m1_m2_theta0, core::Real  m1_b1_Ktheta, core::Real  m1_b1_theta0, core::Real  m2_b1_Ktheta, core::Real  m2_b1_theta0, core::Real  m1_b2_Ktheta, core::Real  m1_b2_theta0, core::Real  m2_b2_Ktheta, core::Real  m2_b2_theta0, core::Real  b1_b2_Ktheta, core::Real  b1_b2_theta0, core::Real  tolerance = 0  )

inline

References tolerance.

Member Function Documentation

core::Real protocols::branch_angle::BranchParam2::b1_b2_Ktheta ( ) const

inline

get Ktheta for branching atom 1 - branching atom 2 angle

References b1_b2_Ktheta_.

Referenced by protocols::branch_angle::BranchAngleOptimizer::write_undefined_coef2().

core::Real protocols::branch_angle::BranchParam2::b1_b2_theta0 ( ) const

inline

get theta0 for branching atom 1 - branching atom 2 angle

References b1_b2_theta0_.

Referenced by protocols::branch_angle::BranchAngleOptimizer::write_undefined_coef2().

core::Real protocols::branch_angle::BranchParam2::m1_b2_Ktheta ( ) const

inline

get Ktheta for mainchain atom 1 - branching atom 2 angle

References m1_b2_Ktheta_.

Referenced by protocols::branch_angle::BranchAngleOptimizer::write_undefined_coef2().

core::Real protocols::branch_angle::BranchParam2::m1_b2_theta0 ( ) const

inline

get theta0 for mainchain atom 1 - branching atom 2 angle

References m1_b2_theta0_.

Referenced by protocols::branch_angle::BranchAngleOptimizer::write_undefined_coef2().

core::Real protocols::branch_angle::BranchParam2::m2_b2_Ktheta ( ) const

inline

get Ktheta for mainchain atom 2 - branching atom 2 angle

References m2_b2_Ktheta_.

Referenced by protocols::branch_angle::BranchAngleOptimizer::write_undefined_coef2().

core::Real protocols::branch_angle::BranchParam2::m2_b2_theta0 ( ) const

inline

get theta0 for mainchain atom 2 - branching atom 2 angle

References m2_b2_theta0_.

Referenced by protocols::branch_angle::BranchAngleOptimizer::write_undefined_coef2().

Friends And Related Function Documentation

bool operator< ( BranchParam2 const &  a, BranchParam2 const &  b  )

friend

a is LOWER than b by a given tolerance

Member Data Documentation

core::Real protocols::branch_angle::BranchParam2::b1_b2_Ktheta_

protected

Referenced by b1_b2_Ktheta().

core::Real protocols::branch_angle::BranchParam2::b1_b2_theta0_

protected

Referenced by b1_b2_theta0().

core::Real protocols::branch_angle::BranchParam2::m1_b2_Ktheta_

protected

Referenced by m1_b2_Ktheta().

core::Real protocols::branch_angle::BranchParam2::m1_b2_theta0_

protected

Referenced by m1_b2_theta0().

core::Real protocols::branch_angle::BranchParam2::m2_b2_Ktheta_

protected

Referenced by m2_b2_Ktheta().

core::Real protocols::branch_angle::BranchParam2::m2_b2_theta0_

protected

Referenced by m2_b2_theta0().

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The documentation for this class was generated from the following file:

• src/protocols/branch_angle/BranchParam2.hh