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Public Types | Public Member Functions | Public Attributes | Friends | List of all members
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< RealX
 
typedef numeric::xyzMatrix< RealM
 
typedef numeric::xyzVector< RealV
 
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

◆ AID

◆ Hash

◆ HashCOP

◆ HashOP

◆ M

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

◆ MC

◆ MCR

◆ Pose

◆ PoseCOP

◆ RCR

◆ Real

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

◆ V

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

◆ VC

◆ VCR

◆ X

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

◆ XC

◆ XCR

Constructor & Destructor Documentation

◆ Rose() [1/4]

protocols::sic_dock::Rose::Rose ( PoseCOP  p)

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

◆ Rose() [2/4]

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

◆ Rose() [3/4]

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

◆ Rose() [4/4]

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

◆ ~Rose()

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

Member Function Documentation

◆ align_c()

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

References core::pose::motif::a(), p, and x.

◆ align_n()

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

References core::pose::motif::a(), p, and x.

◆ c_anchor()

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

References p, and res_anchor().

◆ clashes() [1/2]

bool protocols::sic_dock::Rose::clashes ( RCR  other) const

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

◆ clashes() [2/2]

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

References h, and x.

◆ clashes_naive()

bool protocols::sic_dock::Rose::clashes_naive ( RCR  other) const

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

◆ contacts()

Size protocols::sic_dock::Rose::contacts ( RCR  other) const

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

◆ contacts_naive()

Size protocols::sic_dock::Rose::contacts_naive ( RCR  other) const

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

◆ dump_minimal_pdb()

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

◆ dump_pdb() [1/2]

void protocols::sic_dock::Rose::dump_pdb ( std::ostream &  out) const

◆ dump_pdb() [2/2]

void protocols::sic_dock::Rose::dump_pdb ( std::string const &  fname) const

References pose().

◆ n_anchor()

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

References res_anchor().

◆ operator*() [1/2]

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

◆ operator*() [2/2]

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

◆ operator+()

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

◆ operator-()

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

◆ pose()

core::pose::PoseCOP protocols::sic_dock::Rose::pose ( ) const

References p, and x.

Referenced by dump_pdb().

◆ res_anchor()

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

◆ operator!=

bool operator!= ( RCR  a,
RCR  b 
)
friend

◆ operator* [1/2]

Rose operator* ( MCR  a,
RCR  b 
)
friend

◆ operator* [2/2]

Rose operator* ( XCR  a,
RCR  b 
)
friend

◆ operator==

bool operator== ( RCR  a,
RCR  b 
)
friend

Member Data Documentation

◆ h

HashCOP protocols::sic_dock::Rose::h

◆ p

PoseCOP protocols::sic_dock::Rose::p

◆ x

X protocols::sic_dock::Rose::x

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