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core::chemical::mainchain_potential Namespace Reference

Classes

class  MainchainScoreTable
 

Typedefs

typedef
utility::pointer::shared_ptr
< MainchainScoreTable
MainchainScoreTableOP
 
typedef
utility::pointer::shared_ptr
< MainchainScoreTable const > 
MainchainScoreTableCOP
 

Functions

static basic::Tracer TR ("core.chemical.mainchain_potential.MainchainScoreTable")
 
static basic::Tracer TR ("core.chemical.mainchain_potential.util")
 
void read_rama_map_file_shapovalov (std::string const &filename, utility::vector1< std::string > const &res_type_names, bool const use_polycubic_interpolation, std::map< std::string, MainchainScoreTableCOP > &mainchain_score_table_map)
 Read a Shapovalov/Ramachandran-style mainchain torsion file, parse it for mainchain potentials corresponding to a vector of ResidueType names, and return a map of (name->MainchainScoreTableCOP). More...
 
void read_rama_map_file_shapovalov (std::string const &filename, bool const use_polycubic_interpolation, utility::vector1< std::pair< std::string, MainchainScoreTableOP > > &newtables)
 Read a Shapovalov/Ramachandran-style mainchain torsion file, parse it for all the mainchain potentials that it contains, and return a vector of pairs of (map name, MainchainScoreTableOP). More...
 

Typedef Documentation

Function Documentation

void core::chemical::mainchain_potential::read_rama_map_file_shapovalov ( std::string const &  filename,
utility::vector1< std::string > const &  res_type_names,
bool const  use_polycubic_interpolation,
std::map< std::string, MainchainScoreTableCOP > &  mainchain_score_table_map 
)

Read a Shapovalov/Ramachandran-style mainchain torsion file, parse it for mainchain potentials corresponding to a vector of ResidueType names, and return a map of (name->MainchainScoreTableCOP).

Parameters
[in]filenameThe name of the file to read.
[in]res_type_namesA vector of ResidueType names that this function will seek data for.
[in]use_polycubic_interpolationShould the MainchainScoreTables use polycubic interpolation?
[out]mainchain_score_table_mapThe output map of (name->MainchainScoreTableCOP).

References protocols::abinitio::filename().

Referenced by core::scoring::ScoringManager::get_rama_prepro_mainchain_torsion_potential().

void core::chemical::mainchain_potential::read_rama_map_file_shapovalov ( std::string const &  filename,
bool const  use_polycubic_interpolation,
utility::vector1< std::pair< std::string, MainchainScoreTableOP > > &  newtables 
)

Read a Shapovalov/Ramachandran-style mainchain torsion file, parse it for all the mainchain potentials that it contains, and return a vector of pairs of (map name, MainchainScoreTableOP).

Parameters
[in]filenameThe name of the file to read.
[in]use_polycubic_interpolationShould the MainchainScoreTables use polycubic interpolation?
[out]newtablesThe output vector of pairs of (name, MainchainScoreTableOP).

References protocols::abinitio::filename().

static basic::Tracer core::chemical::mainchain_potential::TR ( "core.chemical.mainchain_potential.util"  )
static
static basic::Tracer core::chemical::mainchain_potential::TR ( "core.chemical.mainchain_potential.MainchainScoreTable"  )
static