Rosetta
Public Member Functions | Public Attributes | List of all members
Hit Struct Reference
Inheritance diagram for Hit:
Inheritance graph
[legend]

Public Member Functions

 Hit (int is, int ir, int cb, int sm)
 
 Hit (Real _cbc, int _iss, int _irt, int _sym)
 
 Hit (int is, int ir, Real cb, int sm)
 
 Hit (int is, int ir, int cb, int sm)
 
 Hit (int is, int ir, int cb, int sm)
 
 Hit (int _iss, int _irt, Real _score, int _sym)
 
 Hit (int is, int ir, int cb, int sm)
 
 Hit (int is, int ir, int cb, int sm)
 
 Hit (int is, int ir, Real cb, int sm)
 
 Hit (Real sc, Size ic, Real i1, Real i2, bool id, Mat r, Vec c)
 
 Hit ()
 
 Hit (Size, Size, Real i11, Real i12, Real i21, Real i22, bool id)
 
 Hit ()
 
 Hit (Vec c, Vec a, Vec o, Size irs, Size jrs, Size _itype, Size _jtype, Real ic1, Real ic2, Real jc1, Real jc2)
 
 Hit (Real _iori, Real _irot, Real _islide, Real _score)
 
 Hit (int is, int ir, Real cb, int sm)
 
 Hit (int is, int ir, int cb, int sm)
 
 Hit (int is, int ir, Real cb, int sm)
 
 Hit (int iq, Real cb, int sm)
 
 Hit ()
 
 Hit (core::conformation::Residue const &r1, core::conformation::Residue const &r2, core::kinematics::Stub &stb, Real pd1=0.0, Real pd2=0.0, bool frnt_in=false, bool negori=false)
 
void apply (Pose &wp) const
 
 Hit (core::conformation::Residue const &r1, core::conformation::Residue const &r2, core::kinematics::Stub &stb, Real pd1=0.0, Real pd2=0.0, bool frnt_in=false, bool negori=false)
 
void apply (Pose &wp) const
 
 Hit (core::conformation::Residue const &r1, core::conformation::Residue const &r2)
 
- Public Member Functions inherited from utility::VirtualBase
 VirtualBase ()=default
 Default constructor. More...
 
virtual ~VirtualBase ()=default
 The virtual destructor is one of the main reasons for the VirtualBase class. More...
 
 VirtualBase (VirtualBase const &)=default
 
 VirtualBase (VirtualBase &&)=default
 
VirtualBase & operator= (VirtualBase const &)=default
 
VirtualBase & operator= (VirtualBase &&)=default
 

Public Attributes

int iss
 
int irt
 
int cbc
 
int sym
 
core::kinematics::Stub s1
 
core::kinematics::Stub s2
 
Real cbc
 
Real rscore
 
Real rmsd
 
Xform x1
 
Xform x2
 
Real score
 
core::kinematics::Stub stub
 
int islide
 
Xform s1
 
Xform s2
 
Real xscore
 
Size ihis
 
Size jhis
 
Size khis
 
Size lhis
 
Real ch1
 
Real ch2
 
Size icys
 
bool idsf
 
Mat rotn
 
Vec rcen
 
Size jcys
 
Real c11
 
Real c12
 
Real c21
 
Real c22
 
bool idmr
 
Size rsd
 
Size cbc
 
Real chi1
 
Real chi2
 
Vec axs
 
Vec cen
 
bool sym
 
Vec ori
 
Size ir
 
Size jr
 
Size itype
 
Size jtype
 
Real ich1
 
Real ich2
 
Real jch1
 
Real jch2
 
Real iori
 
Real irot
 
Real islide
 
Real sicscore
 
int iqg
 
Real dang
 
Real ddis
 
Real backoff
 
Xform x3
 
Xform x4
 
Size rsd1
 
Size rsd2
 
Real phid1
 
Real phid2
 
Real k1
 
Real k2
 
Real k3
 
Real k4
 
Real c1
 
Real c2
 
Real c3
 
core::chemical::AA aa1
 
core::chemical::AA aa2
 
bool frnt
 
bool nego
 
core::conformation::Residue const rsd1
 
core::conformation::Residue const rsd2
 

Constructor & Destructor Documentation

◆ Hit() [1/23]

Hit::Hit ( int  is,
int  ir,
int  cb,
int  sm 
)
inline

◆ Hit() [2/23]

Hit::Hit ( Real  _cbc,
int  _iss,
int  _irt,
int  _sym 
)
inline

References test.T008_Serialization::iss.

◆ Hit() [3/23]

Hit::Hit ( int  is,
int  ir,
Real  cb,
int  sm 
)
inline

◆ Hit() [4/23]

Hit::Hit ( int  is,
int  ir,
int  cb,
int  sm 
)
inline

◆ Hit() [5/23]

Hit::Hit ( int  is,
int  ir,
int  cb,
int  sm 
)
inline

◆ Hit() [6/23]

Hit::Hit ( int  _iss,
int  _irt,
Real  _score,
int  _sym 
)
inline

◆ Hit() [7/23]

Hit::Hit ( int  is,
int  ir,
int  cb,
int  sm 
)
inline

◆ Hit() [8/23]

Hit::Hit ( int  is,
int  ir,
int  cb,
int  sm 
)
inline

◆ Hit() [9/23]

Hit::Hit ( int  is,
int  ir,
Real  cb,
int  sm 
)
inline

◆ Hit() [10/23]

Hit::Hit ( Real  sc,
Size  ic,
Real  i1,
Real  i2,
bool  id,
Mat  r,
Vec  c 
)
inline

◆ Hit() [11/23]

Hit::Hit ( )

◆ Hit() [12/23]

Hit::Hit ( Size  ,
Size  ,
Real  i11,
Real  i12,
Real  i21,
Real  i22,
bool  id 
)
inline

◆ Hit() [13/23]

Hit::Hit ( )
inline

◆ Hit() [14/23]

Hit::Hit ( Vec  c,
Vec  a,
Vec  o,
Size  irs,
Size  jrs,
Size  _itype,
Size  _jtype,
Real  ic1,
Real  ic2,
Real  jc1,
Real  jc2 
)
inline

◆ Hit() [15/23]

Hit::Hit ( Real  _iori,
Real  _irot,
Real  _islide,
Real  _score 
)
inline

◆ Hit() [16/23]

Hit::Hit ( int  is,
int  ir,
Real  cb,
int  sm 
)
inline

◆ Hit() [17/23]

Hit::Hit ( int  is,
int  ir,
int  cb,
int  sm 
)
inline

◆ Hit() [18/23]

Hit::Hit ( int  is,
int  ir,
Real  cb,
int  sm 
)
inline

◆ Hit() [19/23]

Hit::Hit ( int  iq,
Real  cb,
int  sm 
)
inline

◆ Hit() [20/23]

Hit::Hit ( )
inline

◆ Hit() [21/23]

Hit::Hit ( core::conformation::Residue const &  r1,
core::conformation::Residue const &  r2,
core::kinematics::Stub &  stb,
Real  pd1 = 0.0,
Real  pd2 = 0.0,
bool  frnt_in = false,
bool  negori = false 
)
inline

References aa1, aa2, c1, c2, c3, k1, k2, k3, k4, basic::options::OptionKeys::motifs::r1, basic::options::OptionKeys::motifs::r2, rsd1, and rsd2.

◆ Hit() [22/23]

Hit::Hit ( core::conformation::Residue const &  r1,
core::conformation::Residue const &  r2,
core::kinematics::Stub &  stb,
Real  pd1 = 0.0,
Real  pd2 = 0.0,
bool  frnt_in = false,
bool  negori = false 
)
inline

References aa1, aa2, c1, c2, c3, k1, k2, k3, k4, basic::options::OptionKeys::motifs::r1, basic::options::OptionKeys::motifs::r2, rsd1, and rsd2.

◆ Hit() [23/23]

Hit::Hit ( core::conformation::Residue const &  r1,
core::conformation::Residue const &  r2 
)
inline

Member Function Documentation

◆ apply() [1/2]

void Hit::apply ( Pose &  wp) const
inline

References aa1, aa2, c1, c2, c3, create_a3b_hbs::i, k1, k2, k3, k4, natoms(), phid1, phid2, numeric::rotation_matrix_degrees(), rsd1, rsd2, str(), and utility_exit_with_message.

Referenced by pyrosetta.distributed.tasks.rosetta_scripts.BaseRosettaScriptsTask::execute(), and main().

◆ apply() [2/2]

void Hit::apply ( Pose &  wp) const
inline

References aa1, aa2, c1, c2, c3, create_a3b_hbs::i, k1, k2, k3, k4, natoms(), phid1, phid2, numeric::rotation_matrix_degrees(), rsd1, rsd2, str(), and utility_exit_with_message.

Referenced by pyrosetta.distributed.tasks.rosetta_scripts.BaseRosettaScriptsTask::execute().

Member Data Documentation

◆ aa1

core::chemical::AA Hit::aa1

Referenced by apply(), and Hit().

◆ aa2

core::chemical::AA Hit::aa2

Referenced by apply(), and Hit().

◆ axs

Vec Hit::axs

Referenced by design_hits(), dock(), ik_arg_asp_frnt(), ik_arg_asp_side(), ik_arg_glu_frnt(), and ik_arg_glu_side().

◆ backoff

Real Hit::backoff

◆ c1

Real Hit::c1

Referenced by apply(), and Hit().

◆ c11

Real Hit::c11

◆ c12

Real Hit::c12

◆ c2

Real Hit::c2

Referenced by apply(), and Hit().

◆ c21

Real Hit::c21

◆ c22

Real Hit::c22

◆ c3

Real Hit::c3

Referenced by apply(), and Hit().

◆ cbc [1/3]

Real Hit::cbc

◆ cbc [2/3]

Real Hit::cbc

◆ cbc [3/3]

Size Hit::cbc

◆ cen

Vec Hit::cen

Referenced by design_hits(), dock(), ik_arg_asp_frnt(), ik_arg_asp_side(), ik_arg_glu_frnt(), and ik_arg_glu_side().

◆ ch1

Real Hit::ch1

◆ ch2

Real Hit::ch2

◆ chi1

Real Hit::chi1

Referenced by design_hits().

◆ chi2

Real Hit::chi2

Referenced by design_hits().

◆ dang

Real Hit::dang

◆ ddis

Real Hit::ddis

◆ frnt

bool Hit::frnt

Referenced by main().

◆ ich1

Real Hit::ich1

Referenced by dock().

◆ ich2

Real Hit::ich2

Referenced by dock().

◆ icys

Size Hit::icys

◆ idmr

bool Hit::idmr

◆ idsf

bool Hit::idsf

◆ ihis

Size Hit::ihis

◆ iori

Real Hit::iori

◆ iqg

int Hit::iqg

◆ ir

Size Hit::ir

Referenced by dock().

◆ irot

Real Hit::irot

◆ irt

int Hit::irt

◆ islide [1/2]

int Hit::islide

◆ islide [2/2]

Real Hit::islide

◆ iss

int Hit::iss

◆ itype

Size Hit::itype

Referenced by dock().

◆ jch1

Real Hit::jch1

Referenced by dock().

◆ jch2

Real Hit::jch2

Referenced by dock().

◆ jcys

Size Hit::jcys

◆ jhis

Size Hit::jhis

◆ jr

Size Hit::jr

Referenced by dock().

◆ jtype

Size Hit::jtype

Referenced by dock().

◆ k1

Real Hit::k1

Referenced by apply(), and Hit().

◆ k2

Real Hit::k2

Referenced by apply(), and Hit().

◆ k3

Real Hit::k3

Referenced by apply(), and Hit().

◆ k4

Real Hit::k4

Referenced by apply(), and Hit().

◆ khis

Size Hit::khis

◆ lhis

Size Hit::lhis

◆ nego

bool Hit::nego

Referenced by main().

◆ ori

Vec Hit::ori

Referenced by dock(), ik_arg_asp_frnt(), ik_arg_asp_side(), ik_arg_glu_frnt(), and ik_arg_glu_side().

◆ phid1

Real Hit::phid1

Referenced by apply().

◆ phid2

Real Hit::phid2

Referenced by apply().

◆ rcen

Vec Hit::rcen

◆ rmsd

Real Hit::rmsd

◆ rotn

Mat Hit::rotn

◆ rscore

Real Hit::rscore

Referenced by dock().

◆ rsd

Size Hit::rsd

Referenced by design_hits().

◆ rsd1 [1/2]

Size Hit::rsd1

Referenced by apply(), Hit(), ik_arg_asp_frnt(), ik_arg_asp_side(), ik_arg_glu_frnt(), ik_arg_glu_side(), and main().

◆ rsd1 [2/2]

core::conformation::Residue const Hit::rsd1

◆ rsd2 [1/2]

Size Hit::rsd2

Referenced by apply(), Hit(), and main().

◆ rsd2 [2/2]

core::conformation::Residue const Hit::rsd2

◆ s1 [1/2]

core::kinematics::Stub Hit::s1

◆ s1 [2/2]

Xform Hit::s1

◆ s2 [1/2]

core::kinematics::Stub Hit::s2

◆ s2 [2/2]

Xform Hit::s2

◆ score

Real Hit::score

◆ sicscore

Real Hit::sicscore

◆ stub

core::kinematics::Stub Hit::stub

Referenced by main().

◆ sym [1/2]

int Hit::sym

Referenced by design_hits().

◆ sym [2/2]

bool Hit::sym

◆ x1

Xform Hit::x1

Referenced by dock().

◆ x2

Xform Hit::x2

Referenced by dock().

◆ x3

Xform Hit::x3

◆ x4

Xform Hit::x4

◆ xscore

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