Public Member Functions | Public Attributes | Static Public Attributes | List of all members
protocols::cluster::calibur::SimPDB Class Reference

#include <SimPDB.hh>

Public Member Functions

void read ()
 SimPDB (std::string const &aProteinFileName)
 SimPDB (std::string const &aProteinFileName, int const len)
 ~SimPDB ()
 SimPDB ()
 SimPDB (int len)

Public Attributes

std::string protein_file_name_
int num_residue_
std::vector< core::Realcalpha_vector_

Static Public Attributes

static int s_residue = 1
static int e_residue = LONGEST_CHAIN
static char * chains = strdup("AC ")
static PreloadedPDBpreloadedPDB = nullptr
static bool preloadPDB = true

Constructor & Destructor Documentation

◆ SimPDB() [1/4]

protocols::cluster::calibur::SimPDB::SimPDB ( std::string const &  aProteinFileName)

◆ SimPDB() [2/4]

protocols::cluster::calibur::SimPDB::SimPDB ( std::string const &  aProteinFileName,
int const  len 

◆ ~SimPDB()

protocols::cluster::calibur::SimPDB::~SimPDB ( )

◆ SimPDB() [3/4]

protocols::cluster::calibur::SimPDB::SimPDB ( )

◆ SimPDB() [4/4]

protocols::cluster::calibur::SimPDB::SimPDB ( int  len)

References calpha_vector_, and num_residue_.

Member Function Documentation

◆ read()

void protocols::cluster::calibur::SimPDB::read ( )

Member Data Documentation

◆ calpha_vector_

std::vector<core::Real> protocols::cluster::calibur::SimPDB::calpha_vector_

Referenced by read(), and SimPDB().

◆ chains

char * protocols::cluster::calibur::SimPDB::chains = strdup("AC ")

◆ e_residue

int protocols::cluster::calibur::SimPDB::e_residue = LONGEST_CHAIN

Referenced by read().

◆ num_residue_

int protocols::cluster::calibur::SimPDB::num_residue_

Referenced by read(), and SimPDB().

◆ preloadedPDB

PreloadedPDB * protocols::cluster::calibur::SimPDB::preloadedPDB = nullptr

This feature allows the preloading of SimPDB objects. SimPDB will then be obtained from preloadedPDB instead of from disk.

Referenced by protocols::cluster::calibur::Clustering::readDecoyNames(), and SimPDB().

◆ preloadPDB

bool protocols::cluster::calibur::SimPDB::preloadPDB = true

◆ protein_file_name_

std::string protocols::cluster::calibur::SimPDB::protein_file_name_

Referenced by read(), and SimPDB().

◆ s_residue

int protocols::cluster::calibur::SimPDB::s_residue = 1

These parameters control how PDB files are to be loaded. They do not apply to silent file, which are assumed to be pre-processed.

Referenced by read().

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