#include <BCLFragmentHandler.hh>
Public Member Functions | |
| BCLFragmentHandler () | |
| default constructor More... | |
| MutableResidueTypeCOP | get_rosetta_restype () const |
| construct with BCL fragment More... | |
| IndexVDMapping const & | get_index_to_vd () const |
| Get how the most recently created ResidueType corresponds to the underlying fragment. More... | |
| VDIndexMapping const & | get_vd_to_index () const |
| Get mapping of restype vertex descriptors to indices of the bcl fragments. More... | |
| core::Size | get_nbr () const |
| Get the atom used as the neighbor atom when restype is generated. More... | |
| void | set_rosetta_restype (MutableResidueTypeCOP restype) |
| Set the BCL molecule. More... | |
| void | set_nbr (core::Size nbr) |
| Which atom in the fragment to use as the neighbor atom when the a restype is generated. More... | |
Private Attributes | |
| MutableResidueTypeCOP | rosetta_restype_ |
| molecule in Rosetta format More... | |
| IndexVDMapping | index_to_vd_ |
| How the fragment indices map to the most recently created ResidueType. More... | |
| VDIndexMapping | vd_to_index_ |
| Mapping of restype vertex descriptors to indices of the bcl fragments Uses utility::get_undefined_size() for non-represented BCL indices. More... | |
| core::Size | nbr_ |
| Which index in the fragment is used for the neighbor atom. utility::get_undefined_size() means autodetermine. More... | |
Constructor & Destructor Documentation
◆ BCLFragmentHandler()
| core::chemical::bcl::BCLFragmentHandler::BCLFragmentHandler | ( | ) |
default constructor
Member Function Documentation
◆ get_index_to_vd()
| IndexVDMapping const & core::chemical::bcl::BCLFragmentHandler::get_index_to_vd | ( | ) | const |
Get how the most recently created ResidueType corresponds to the underlying fragment.
References index_to_vd_.
◆ get_nbr()
| core::Size core::chemical::bcl::BCLFragmentHandler::get_nbr | ( | ) | const |
Get the atom used as the neighbor atom when restype is generated.
References nbr_.
◆ get_rosetta_restype()
| MutableResidueTypeCOP core::chemical::bcl::BCLFragmentHandler::get_rosetta_restype | ( | ) | const |
construct with BCL fragment
Return a Rosetta molecule as a MutableResidueType.
construct with Rosetta residue
Return the BCL molecule as a standard FragmentComplete
Return a Rosetta molecule as a MutableResidueType
References rosetta_restype_.
◆ get_vd_to_index()
| VDIndexMapping const & core::chemical::bcl::BCLFragmentHandler::get_vd_to_index | ( | ) | const |
Get mapping of restype vertex descriptors to indices of the bcl fragments.
References vd_to_index_.
Referenced by protocols::rotamer_gen::FragmentRotamers::apply().
◆ set_nbr()
| void core::chemical::bcl::BCLFragmentHandler::set_nbr | ( | core::Size | nbr | ) |
Which atom in the fragment to use as the neighbor atom when the a restype is generated.
References protocols::sic_dock::scores::nbr, and nbr_.
◆ set_rosetta_restype()
| void core::chemical::bcl::BCLFragmentHandler::set_rosetta_restype | ( | MutableResidueTypeCOP | restype | ) |
Set the BCL molecule.
Set the Rosetta molecule.
Set the Rosetta molecule
References rosetta_restype_.
Member Data Documentation
◆ index_to_vd_
|
private |
How the fragment indices map to the most recently created ResidueType.
Referenced by get_index_to_vd().
◆ nbr_
|
private |
◆ rosetta_restype_
|
private |
molecule in Rosetta format
Referenced by get_rosetta_restype(), and set_rosetta_restype().
◆ vd_to_index_
|
private |
Mapping of restype vertex descriptors to indices of the bcl fragments Uses utility::get_undefined_size() for non-represented BCL indices.
Referenced by get_vd_to_index().
The documentation for this class was generated from the following files:
- src/core/chemical/bcl/BCLFragmentHandler.hh
- src/core/chemical/bcl/BCLFragmentHandler.cc
