protocols::sic_dock::Rose Class Reference

#include <Rose.hh>

Public Types
typedef platform::Real	Real
typedef core::id::AtomID	AID
typedef core::pose::Pose	Pose
typedef core::pose::PoseCOP	PoseCOP
typedef core::pose::xyzStripeHashPose	Hash
typedef core::pose::xyzStripeHashPoseOP	HashOP
typedef core::pose::xyzStripeHashPoseCOP	HashCOP
typedef numeric::xyzTransform < Real >	X
typedef numeric::xyzMatrix< Real >	M
typedef numeric::xyzVector< Real >	V
typedef X const	XC
typedef M const	MC
typedef V const	VC
typedef X const &	XCR
typedef M const &	MCR
typedef V const &	VCR
typedef Rose const &	RCR

Public Member Functions
	Rose (PoseCOP p)
	Rose (PoseCOP p, core::pose::PoseCoordPickMode const &coord_picker)
	Rose (PoseCOP p, core::id::AtomID_Map< Real > const &clash_atoms)
	Rose (RCR r, XCR x_in)
virtual	~Rose ()=default
bool	clashes (VCR point) const
bool	clashes (RCR other) const
core::Size	contacts (RCR other) const
Rose	operator+ (VCR b)
Rose	operator- (VCR b)
Rose	operator* (XCR b)
Rose	operator* (MCR b)
XC	res_anchor (core::Size const &ir) const
XC	n_anchor () const
XC	c_anchor () const
void	align_n (XCR a)
void	align_c (XCR a)
void	dump_pdb (std::ostream &out) const
void	dump_pdb (std::string const &fname) const
void	dump_minimal_pdb (std::ostream &out, char chain='R')
PoseCOP	pose () const
bool	clashes_naive (RCR other) const
core::Size	contacts_naive (RCR other) const

Public Attributes
PoseCOP	p
HashCOP	h
X	x

Friends
bool	operator== (RCR a, RCR b)
bool	operator!= (RCR a, RCR b)
Rose	operator* (XCR a, RCR b)
Rose	operator* (MCR a, RCR b)

Member Typedef Documentation

typedef core::id::AtomID protocols::sic_dock::Rose::AID

typedef core::pose::xyzStripeHashPose protocols::sic_dock::Rose::Hash

typedef core::pose::xyzStripeHashPoseCOP protocols::sic_dock::Rose::HashCOP

typedef core::pose::xyzStripeHashPoseOP protocols::sic_dock::Rose::HashOP

typedef numeric::xyzMatrix<Real> protocols::sic_dock::Rose::M

typedef M const protocols::sic_dock::Rose::MC

typedef M const& protocols::sic_dock::Rose::MCR

typedef core::pose::Pose protocols::sic_dock::Rose::Pose

typedef core::pose::PoseCOP protocols::sic_dock::Rose::PoseCOP

typedef Rose const& protocols::sic_dock::Rose::RCR

typedef platform::Real protocols::sic_dock::Rose::Real

typedef numeric::xyzVector<Real> protocols::sic_dock::Rose::V

typedef V const protocols::sic_dock::Rose::VC

typedef V const& protocols::sic_dock::Rose::VCR

typedef numeric::xyzTransform<Real> protocols::sic_dock::Rose::X

typedef X const protocols::sic_dock::Rose::XC

typedef X const& protocols::sic_dock::Rose::XCR

Constructor & Destructor Documentation

protocols::sic_dock::Rose::Rose

(

PoseCOP

p

)

Referenced by operator*(), operator+(), and operator-().

protocols::sic_dock::Rose::Rose	(	PoseCOP	p,
		core::pose::PoseCoordPickMode const &	coord_picker
	)

protocols::sic_dock::Rose::Rose	(	PoseCOP	p,
		core::id::AtomID_Map< Real > const &	clash_atoms
	)

protocols::sic_dock::Rose::Rose ( RCR  r, XCR  x_in  )

inline

virtual protocols::sic_dock::Rose::~Rose ( )

virtualdefault

Member Function Documentation

void protocols::sic_dock::Rose::align_c ( XCR  a )

inline

References p, and x.

void protocols::sic_dock::Rose::align_n ( XCR  a )

inline

References p, and x.

XC protocols::sic_dock::Rose::c_anchor ( ) const

inline

References p, and res_anchor().

bool protocols::sic_dock::Rose::clashes ( VCR  point ) const

inline

References h, and x.

bool protocols::sic_dock::Rose::clashes

(

RCR

other

)

const

References protocols::match::upstream::b, and h.

bool protocols::sic_dock::Rose::clashes_naive

(

RCR

other

)

const

References h, protocols::hybridization::u, and x.

Size protocols::sic_dock::Rose::contacts

(

RCR

other

)

const

References protocols::match::upstream::b, and h.

Size protocols::sic_dock::Rose::contacts_naive

(

RCR

other

)

const

References h, protocols::hybridization::u, and x.

void protocols::sic_dock::Rose::dump_minimal_pdb	(	std::ostream &	out,
		char	chain = 'R'
	)

References core::chemical::element::F, core::chemical::element::I, p, and x.

void protocols::sic_dock::Rose::dump_pdb

(

std::ostream &

out

)

const

References pose().

void protocols::sic_dock::Rose::dump_pdb

(

std::string const &

fname

)

const

References pose().

XC protocols::sic_dock::Rose::n_anchor ( ) const

inline

References res_anchor().

Rose protocols::sic_dock::Rose::operator* ( XCR  b )

inline

References Rose(), and x.

Rose protocols::sic_dock::Rose::operator* ( MCR  b )

inline

References Rose(), and x.

Rose protocols::sic_dock::Rose::operator+ ( VCR  b )

inline

References Rose(), and x.

Rose protocols::sic_dock::Rose::operator- ( VCR  b )

inline

References Rose(), and x.

core::pose::PoseCOP protocols::sic_dock::Rose::pose

(

)

const

References p, and x.

Referenced by dump_pdb().

XC protocols::sic_dock::Rose::res_anchor ( core::Size const &  ir ) const

inline

References p, and x.

Referenced by c_anchor(), and n_anchor().

Friends And Related Function Documentation

bool operator!= ( RCR  a, RCR  b  )

friend

Rose operator* ( XCR  a, RCR  b  )

friend

Rose operator* ( MCR  a, RCR  b  )

friend

bool operator== ( RCR  a, RCR  b  )

friend

Member Data Documentation

HashCOP protocols::sic_dock::Rose::h

Referenced by clashes(), clashes_naive(), contacts(), and contacts_naive().

PoseCOP protocols::sic_dock::Rose::p

Referenced by align_c(), align_n(), c_anchor(), dump_minimal_pdb(), pose(), and res_anchor().

X protocols::sic_dock::Rose::x

Referenced by align_c(), align_n(), clashes(), clashes_naive(), contacts_naive(), dump_minimal_pdb(), operator*(), operator+(), operator-(), pose(), and res_anchor().

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

• src/protocols/sic_dock/Rose.hh
• src/protocols/sic_dock/Rose.cc