protocols::ligand_docking::Ligand_info Struct Reference

#include <Rotate.hh>

Collaboration diagram for protocols::ligand_docking::Ligand_info:

Public Member Functions
	Ligand_info ()
	Ligand_info (core::conformation::ResidueCOPs const residues, int atr, int rep)
	Ligand_info (core::conformation::ResidueCOPs const residues, std::pair< int, int > scores, core::kinematics::Jump jump)
bool	operator< (Ligand_info const ligand_info) const
bool	operator< (std::pair< int, int > const scores) const
core::conformation::ResidueCOPs const &	get_residues () const

Public Attributes
core::conformation::ResidueCOPs	residues
core::conformation::ResidueCOPs	tag_along_residues
int	atr
int	rep
core::kinematics::Jump	jump

Detailed Description

Definition at line 57 of file Rotate.hh.

Constructor & Destructor Documentation

protocols::ligand_docking::Ligand_info::Ligand_info

(

)

Definition at line 72 of file Rotate.cc.

protocols::ligand_docking::Ligand_info::Ligand_info	(	core::conformation::ResidueCOPs const	residues,
		int	atr,
		int	rep
	)

Definition at line 74 of file Rotate.cc.

protocols::ligand_docking::Ligand_info::Ligand_info	(	core::conformation::ResidueCOPs const	residues,
		std::pair< int, int >	scores,
		core::kinematics::Jump	jump
	)

Definition at line 77 of file Rotate.cc.

Member Function Documentation

core::conformation::ResidueCOPs const & protocols::ligand_docking::Ligand_info::get_residues

(

)

const

Definition at line 88 of file Rotate.cc.

References residues.

Referenced by protocols::ligand_docking::check_RMSD().

bool protocols::ligand_docking::Ligand_info::operator<

(

Ligand_info const

ligand_info)

const

Definition at line 81 of file Rotate.cc.

References atr, and rep.

bool protocols::ligand_docking::Ligand_info::operator<

(

std::pair< int, int > const

scores)

const

Definition at line 84 of file Rotate.cc.

Member Data Documentation

int protocols::ligand_docking::Ligand_info::atr

Definition at line 60 of file Rotate.hh.

Referenced by protocols::ligand_docking::check_score(), protocols::ligand_docking::Rotate::create_random_rotation(), and operator<().

core::kinematics::Jump protocols::ligand_docking::Ligand_info::jump

Definition at line 62 of file Rotate.hh.

Referenced by protocols::ligand_docking::Rotate::create_random_rotation().

int protocols::ligand_docking::Ligand_info::rep

Definition at line 61 of file Rotate.hh.

Referenced by protocols::ligand_docking::check_score(), protocols::ligand_docking::Rotate::create_random_rotation(), and operator<().

core::conformation::ResidueCOPs protocols::ligand_docking::Ligand_info::residues

Definition at line 58 of file Rotate.hh.

Referenced by protocols::ligand_docking::Rotate::create_random_rotation(), and get_residues().

core::conformation::ResidueCOPs protocols::ligand_docking::Ligand_info::tag_along_residues

Definition at line 59 of file Rotate.hh.

Referenced by protocols::ligand_docking::Rotate::create_random_rotation().

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The documentation for this struct was generated from the following files:

• src/protocols/ligand_docking/Rotate.hh
• src/protocols/ligand_docking/Rotate.cc