core::chemical::SetICoor Class Reference

set an atom's AtomICoord More...

#include <PatchOperation.hh>

Inheritance diagram for core::chemical::SetICoor:

Collaboration diagram for core::chemical::SetICoor:

Public Member Functions
	SetICoor (std::string const &atom_in, Real const phi_in, Real const theta_in, Real const d_in, std::string const &stub1_in, std::string const &stub2_in, std::string const &stub3_in)
	constructor More...
bool	apply (ResidueType &rsd) const
	set an atom's AtomICoord More...
Public Member Functions inherited from core::chemical::PatchOperation
virtual	~PatchOperation ()
	Automatically generated virtual destructor for class deriving directly from ReferenceCount. More...

Private Attributes
std::string	atom_
	atom's name More...
Real	phi_
	AtomICoord data. More...
Real	theta_
Real	d_
std::string	stub1_
std::string	stub2_
std::string	stub3_

Detailed Description

set an atom's AtomICoord

Definition at line 607 of file PatchOperation.hh.

Constructor & Destructor Documentation

core::chemical::SetICoor::SetICoor ( std::string const &  atom_in, Real const  phi_in, Real const  theta_in, Real const  d_in, std::string const &  stub1_in, std::string const &  stub2_in, std::string const &  stub3_in  )

inline

constructor

Definition at line 610 of file PatchOperation.hh.

Member Function Documentation

bool core::chemical::SetICoor::apply ( ResidueType &  rsd) const

virtual

set an atom's AtomICoord

Implements core::chemical::PatchOperation.

Definition at line 73 of file PatchOperation.cc.

References atom_, d_, core::chemical::expand_icoor_atom_name(), phi_, core::chemical::ResidueType::set_icoor(), stub1_, stub2_, stub3_, and theta_.

Referenced by protocols::ligand_docking::AddHydrogen::apply().

Member Data Documentation

std::string core::chemical::SetICoor::atom_

private

atom's name

Definition at line 634 of file PatchOperation.hh.

Referenced by apply().

Real core::chemical::SetICoor::d_

private

Definition at line 638 of file PatchOperation.hh.

Referenced by apply().

Real core::chemical::SetICoor::phi_

private

AtomICoord data.

Definition at line 636 of file PatchOperation.hh.

Referenced by apply().

std::string core::chemical::SetICoor::stub1_

private

Definition at line 639 of file PatchOperation.hh.

Referenced by apply().

std::string core::chemical::SetICoor::stub2_

private

Definition at line 640 of file PatchOperation.hh.

Referenced by apply().

std::string core::chemical::SetICoor::stub3_

private

Definition at line 641 of file PatchOperation.hh.

Referenced by apply().

Real core::chemical::SetICoor::theta_

private

Definition at line 637 of file PatchOperation.hh.

Referenced by apply().

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

• src/core/chemical/PatchOperation.hh
• src/core/chemical/PatchOperation.cc