Rosetta  2021.16
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Pages
Public Member Functions | Private Attributes | List of all members
protocols::antibody::design::CDRGraftDesignOptions Class Reference

Class that holds CDRGraftDesign Options. Now that GraftDesign is not a separate 'thing', this should be split into CDRGraftOptions and CDRMinOptions eventually. More...

#include <CDRGraftDesignOptions.hh>

Inheritance diagram for protocols::antibody::design::CDRGraftDesignOptions:
Inheritance graph
[legend]

Public Member Functions

 CDRGraftDesignOptions ()
 
 CDRGraftDesignOptions (CDRNameEnum cdr)
 
 CDRGraftDesignOptions (CDRGraftDesignOptions const &src)
 
 ~CDRGraftDesignOptions () override
 
void set_cdr (CDRNameEnum cdr)
 Set the CDR type for this instance of options. More...
 
void design (bool design)
 Should this CDR be designed? More...
 
bool design () const
 Should this CDR be designed? More...
 
void weight (core::Real weight)
 Set the weight we will use for choosing this particular CDR for design. More...
 
core::Real weight () const
 Return the weight we will use for choosing this particular CDR for design. More...
 
void mintype (MinTypeEnum mintype)
 Options are: relax, minimize, repack, dualspace. Default is repack for time, but relax is the best. More...
 
MinTypeEnum mintype () const
 
void min_neighbor_sc (bool min_neighbor_sc)
 Minimize neighbor sidechains? More...
 
bool min_neighbor_sc () const
 
void min_sc (bool min_sc)
 Minimize sidechains during minimization (relax/min/etc) (default True? More...
 
bool min_sc () const
 
void min_rb (bool min_rb)
 Use rigid body optimization during minimization of the CDR (Minimize jump bt antigen and antibody)? More...
 
bool min_rb () const
 
void neighbor_min (utility::vector1< CDRNameEnum > neighbor_min)
 Set other CDRs to minimize when this CDR is minimized. More...
 
void neighbor_min_add (CDRNameEnum cdr)
 
void neighbor_min_clear ()
 
utility::vector1< CDRNameEnumneighbor_min () const
 
CDRGraftDesignOptionsOP clone () const
 
void set_defaults ()
 Set defaults - !!! these are not the defaults from the database default instruction file. Use the parser to parse those instructions if you wish. More...
 

Private Attributes

bool cdr_
 
bool design_
 
MinTypeEnum mintype_
 
bool min_neighbor_sc_
 
bool min_sc_
 
bool min_rb_
 
utility::vector1< CDRNameEnumneighbor_min_
 
core::Real cdr_weight_
 

Detailed Description

Class that holds CDRGraftDesign Options. Now that GraftDesign is not a separate 'thing', this should be split into CDRGraftOptions and CDRMinOptions eventually.

Constructor & Destructor Documentation

protocols::antibody::design::CDRGraftDesignOptions::CDRGraftDesignOptions ( )

References set_defaults().

protocols::antibody::design::CDRGraftDesignOptions::CDRGraftDesignOptions ( CDRNameEnum  cdr)

References set_defaults().

protocols::antibody::design::CDRGraftDesignOptions::CDRGraftDesignOptions ( CDRGraftDesignOptions const &  src)
default
protocols::antibody::design::CDRGraftDesignOptions::~CDRGraftDesignOptions ( )
overridedefault

Member Function Documentation

CDRGraftDesignOptionsOP protocols::antibody::design::CDRGraftDesignOptions::clone ( ) const
void protocols::antibody::design::CDRGraftDesignOptions::design ( bool  design)

Should this CDR be designed?

References design(), and design_.

bool protocols::antibody::design::CDRGraftDesignOptions::design ( ) const
inline

Should this CDR be designed?

References design_.

Referenced by design().

void protocols::antibody::design::CDRGraftDesignOptions::min_neighbor_sc ( bool  min_neighbor_sc)

Minimize neighbor sidechains?

References min_neighbor_sc(), and min_neighbor_sc_.

bool protocols::antibody::design::CDRGraftDesignOptions::min_neighbor_sc ( ) const
inline

References min_neighbor_sc_.

Referenced by min_neighbor_sc().

void protocols::antibody::design::CDRGraftDesignOptions::min_rb ( bool  min_rb)

Use rigid body optimization during minimization of the CDR (Minimize jump bt antigen and antibody)?

Does nothing if repacking the cdr. Default False.

References min_rb(), and min_rb_.

bool protocols::antibody::design::CDRGraftDesignOptions::min_rb ( ) const
inline

References min_rb_.

Referenced by min_rb().

void protocols::antibody::design::CDRGraftDesignOptions::min_sc ( bool  min_sc)

Minimize sidechains during minimization (relax/min/etc) (default True?

References min_sc(), and min_sc_.

bool protocols::antibody::design::CDRGraftDesignOptions::min_sc ( ) const
inline

References min_sc_.

Referenced by min_sc().

void protocols::antibody::design::CDRGraftDesignOptions::mintype ( MinTypeEnum  mintype)

Options are: relax, minimize, repack, dualspace. Default is repack for time, but relax is the best.

References mintype(), and mintype_.

MinTypeEnum protocols::antibody::design::CDRGraftDesignOptions::mintype ( ) const
inline

References mintype_.

Referenced by mintype().

void protocols::antibody::design::CDRGraftDesignOptions::neighbor_min ( utility::vector1< CDRNameEnum neighbor_min)

Set other CDRs to minimize when this CDR is minimized.

References neighbor_min(), and neighbor_min_.

utility::vector1<CDRNameEnum> protocols::antibody::design::CDRGraftDesignOptions::neighbor_min ( ) const
inline

References neighbor_min_.

Referenced by neighbor_min().

void protocols::antibody::design::CDRGraftDesignOptions::neighbor_min_add ( CDRNameEnum  cdr)

References neighbor_min_.

void protocols::antibody::design::CDRGraftDesignOptions::neighbor_min_clear ( )

References neighbor_min_.

void protocols::antibody::design::CDRGraftDesignOptions::set_cdr ( CDRNameEnum  cdr)

Set the CDR type for this instance of options.

References cdr_.

void protocols::antibody::design::CDRGraftDesignOptions::set_defaults ( )

Set defaults - !!! these are not the defaults from the database default instruction file. Use the parser to parse those instructions if you wish.

References cdr_weight_, design_, min_neighbor_sc_, min_rb_, min_sc_, protocols::antibody::design::minimize, mintype_, and neighbor_min_.

Referenced by CDRGraftDesignOptions().

void protocols::antibody::design::CDRGraftDesignOptions::weight ( core::Real  weight)

Set the weight we will use for choosing this particular CDR for design.

References cdr_weight_, and weight().

core::Real protocols::antibody::design::CDRGraftDesignOptions::weight ( ) const
inline

Return the weight we will use for choosing this particular CDR for design.

References cdr_weight_.

Referenced by weight().

Member Data Documentation

bool protocols::antibody::design::CDRGraftDesignOptions::cdr_
private

Referenced by set_cdr().

core::Real protocols::antibody::design::CDRGraftDesignOptions::cdr_weight_
private

Referenced by set_defaults(), and weight().

bool protocols::antibody::design::CDRGraftDesignOptions::design_
private

Referenced by design(), and set_defaults().

bool protocols::antibody::design::CDRGraftDesignOptions::min_neighbor_sc_
private

Referenced by min_neighbor_sc(), and set_defaults().

bool protocols::antibody::design::CDRGraftDesignOptions::min_rb_
private

Referenced by min_rb(), and set_defaults().

bool protocols::antibody::design::CDRGraftDesignOptions::min_sc_
private

Referenced by min_sc(), and set_defaults().

MinTypeEnum protocols::antibody::design::CDRGraftDesignOptions::mintype_
private

Referenced by mintype(), and set_defaults().

utility::vector1<CDRNameEnum> protocols::antibody::design::CDRGraftDesignOptions::neighbor_min_
private

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