Rosetta 3.4
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core::pose::PDBPoseMap Class Reference

PDBPoseMap can be queried with PDB information (chain, sequence position) and returns a pose's resid position. Useful for handing input/output in terms of PDB positions. Can be tucked into the pose for repeated access, or generated just-in-time for a single use. Basically a wrapper class for std::map. More...

#include <PDBPoseMap.hh>

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List of all members.

Classes

struct  ResidueKey
 sortable residue key internal to PDBPoseMap

Public Types

typedef core::Size Size

Public Member Functions

 PDBPoseMap ()
 default constructor
 PDBPoseMap (PDBInfo const &info)
 PDBInfo constructor.
 PDBPoseMap (PDBPoseMap const &map)
 copy constructor
virtual ~PDBPoseMap ()
 default destructor
PDBPoseMapoperator= (PDBPoseMap const &m)
 copy assignment
Size size () const
 number of mappings
Size find (char const chain, int const pdb_res, char const ins_code= ' ') const
 lookup pose numbering
void insert (char const chain, int const pdb_res, char const ins_code, Size const pose_res)
 insert pdb -> pose number mapping
bool conditional_erase (char const chain, int const pdb_res, char const ins_code, Size const pose_res)
 remove mapping for pdb residue key only if Pose residue matches
void erase (char const chain, int const pdb_res, char const ins_code)
 forcibly remove mapping for pdb residue key
void clear ()
 clear the current mapping data
void fill (PDBInfo const &info)
 fill with corresponding pdb -> pose residue mapping

Detailed Description

PDBPoseMap can be queried with PDB information (chain, sequence position) and returns a pose's resid position. Useful for handing input/output in terms of PDB positions. Can be tucked into the pose for repeated access, or generated just-in-time for a single use. Basically a wrapper class for std::map.


Member Typedef Documentation


Constructor & Destructor Documentation

core::pose::PDBPoseMap::PDBPoseMap ( )

default constructor

core::pose::PDBPoseMap::PDBPoseMap ( PDBInfo const &  info)

PDBInfo constructor.

References fill().

core::pose::PDBPoseMap::PDBPoseMap ( PDBPoseMap const &  map)

copy constructor

core::pose::PDBPoseMap::~PDBPoseMap ( ) [virtual]

default destructor


Member Function Documentation

void core::pose::PDBPoseMap::clear ( ) [inline]

clear the current mapping data

Referenced by core::pose::PDBInfo::rebuild_pdb2pose().

bool core::pose::PDBPoseMap::conditional_erase ( char const  chain,
int const  pdb_res,
char const  ins_code,
Size const  pose_res 
) [inline]

remove mapping for pdb residue key only if Pose residue matches

Parameters:
[in]chainchain id
[in]pdb_respdb residue numbering
[in]ins_codeinsertion code, use ' ' if no insertion code
[in]pose_resthe mapped Pose residue
Returns:
true if key-value pair erase, false otherwise

Referenced by core::pose::PDBInfo::chain(), core::pose::PDBInfo::icode(), core::pose::PDBInfo::number(), and core::pose::PDBInfo::set_resinfo().

void core::pose::PDBPoseMap::erase ( char const  chain,
int const  pdb_res,
char const  ins_code 
) [inline]

forcibly remove mapping for pdb residue key

Parameters:
[in]chainchain id
[in]pdb_respdb residue numbering
[in]ins_codeinsertion code, use ' ' if no insertion code

Referenced by core::pose::PDBInfo::copy(), and core::pose::PDBInfo::delete_res().

void core::pose::PDBPoseMap::fill ( PDBInfo const &  info)

fill with corresponding pdb -> pose residue mapping

Note:
does not clear any currently existing mapping data

References core::pose::PDBInfo::chain(), core::pose::PDBInfo::icode(), insert(), core::pose::PDBInfo::nres(), and core::pose::PDBInfo::number().

Referenced by PDBPoseMap(), and core::pose::PDBInfo::rebuild_pdb2pose().

Size core::pose::PDBPoseMap::find ( char const  chain,
int const  pdb_res,
char const  ins_code = ' ' 
) const [inline]

lookup pose numbering

Parameters:
[in]chainchain id
[in]pdb_respdb residue numbering
[in]ins_codeinsertion code
Returns:
pose numbering for residue, returns 0 if not found

Referenced by protocols::dna::RestrictDesignToProteinDNAInterface::apply(), core::pose::PDBInfo::pdb2pose(), and protocols::anchored_design::Anchor::read_anchorfile().

void core::pose::PDBPoseMap::insert ( char const  chain,
int const  pdb_res,
char const  ins_code,
Size const  pose_res 
)

insert pdb -> pose number mapping

Parameters:
[in]chainchain id
[in]pdb_respdb residue numbering
[in]ins_codeinsertion code, use ' ' if no insertion code
[in]pose_respose numbering for residue
Remarks:
if the chain is equal to the PDBInfo's empty record character, the insertion will be skipped

References core::pose::PDBInfo::empty_record().

Referenced by core::pose::PDBInfo::append_res(), core::pose::PDBInfo::chain(), core::pose::PDBInfo::copy(), core::pose::PDBInfo::delete_res(), fill(), core::pose::PDBInfo::icode(), core::pose::PDBInfo::number(), core::pose::PDBInfo::prepend_res(), and core::pose::PDBInfo::set_resinfo().

PDBPoseMap & core::pose::PDBPoseMap::operator= ( PDBPoseMap const &  m)

copy assignment

Size core::pose::PDBPoseMap::size ( ) const [inline]

number of mappings


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