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protocols::branch_angle::BranchParam1 Class Reference

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

#include <BranchParam1.hh>

Inheritance diagram for protocols::branch_angle::BranchParam1:
Inheritance graph
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Public Member Functions

 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_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< (BranchParam1 const &a, BranchParam1 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 three bonded neighbors

Constructor & Destructor Documentation

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 
)
inline

Member Function Documentation

core::Real protocols::branch_angle::BranchParam1::m1_b1_Ktheta ( ) const
inline

get Ktheta for mainchain atom 1 - branching atom 1 angle

References m1_b1_Ktheta_.

core::Real protocols::branch_angle::BranchParam1::m1_b1_theta0 ( ) const
inline

get theta0 for mainchain atom 1 - branching atom 1 angle

References m1_b1_theta0_.

core::Real protocols::branch_angle::BranchParam1::m1_m2_Ktheta ( ) const
inline

get Ktheta for mainchain atom 1 - mainchain atom 1 angle

References m1_m2_Ktheta_.

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

core::Real protocols::branch_angle::BranchParam1::m1_m2_theta0 ( ) const
inline

get theta0 for mainchain atom 1 - mainchain atom 1 angle

References m1_m2_theta0_.

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

core::Real protocols::branch_angle::BranchParam1::m2_b1_Ktheta ( ) const
inline

get Ktheta for mainchain atom 2 - branching atom 1 angle

References m2_b1_Ktheta_.

core::Real protocols::branch_angle::BranchParam1::m2_b1_theta0 ( ) const
inline

get theta0 for mainchain atom 2 - branching atom 1 angle

References m2_b1_theta0_.

Friends And Related Function Documentation

bool operator< ( BranchParam1 const &  a,
BranchParam1 const &  b 
)
friend

a is LOWER than b by a given tolerance

Member Data Documentation

core::Real protocols::branch_angle::BranchParam1::m1_b1_Ktheta_
protected

Referenced by m1_b1_Ktheta().

core::Real protocols::branch_angle::BranchParam1::m1_b1_theta0_
protected

Referenced by m1_b1_theta0().

core::Real protocols::branch_angle::BranchParam1::m1_m2_Ktheta_
protected

Referenced by m1_m2_Ktheta().

core::Real protocols::branch_angle::BranchParam1::m1_m2_theta0_
protected

Referenced by m1_m2_theta0().

core::Real protocols::branch_angle::BranchParam1::m2_b1_Ktheta_
protected

Referenced by m2_b1_Ktheta().

core::Real protocols::branch_angle::BranchParam1::m2_b1_theta0_
protected

Referenced by m2_b1_theta0().

core::Real protocols::branch_angle::BranchParam1::tolerance_
protected

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