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protocols::sparta Namespace Reference

Classes

class  ANN
 
class  ChemicalShiftEvaluator
 
class  ChemicalShiftEvaluatorCreator
 creator for the ChemicalShiftsEvaluatorCreator class More...
 
class  GDB
 
struct  CORdata
 
struct  RingData
 
class  PDB
 
class  Sparta
 

Typedefs

typedef boost::unordered_map
< std::string, std::string > 
GDB_Entry
 
typedef float Vec3 [3]
 
typedef float Mat3 [3][3]
 
typedef boost::unordered_map
< int, boost::unordered_map
< int, double > > 
DoubleD2
 
typedef boost::unordered_map
< int, double > 
DoubleD1
 
typedef struct
protocols::sparta::CORdata 
PDB_Entry
 
typedef boost::unordered_map
< int, PDB_Entry
Mol
 
typedef boost::unordered_map
< int, Mol
Mols
 
typedef utility::vector0
< std::string > 
StringList
 
typedef boost::unordered_map
< float, boost::unordered_map
< float, float > > 
PHIPSI_ERR_SURF
 

Functions

static basic::Tracer tr ("protocols.sparta")
 
static basic::Tracer tr ("protocols.sparta")
 
void calc_per_residue_scores (boost::unordered_map< int, std::string > &atom_names, GDB &Pred_Sum, GDB &REF_CS_Tab, GDB &COMP_Tab, utility::vector1< float > &per_residue_scores)
 
Real compareRef_fxn (boost::unordered_map< int, std::string > &names, GDB &Pred_Sum, GDB &REF_CS_Tab, GDB &COMP_Tab)
 
float getDiff (float ang1, float ang2)
 
float getAVG (utility::vector0< float > &v1)
 
float getSTD (utility::vector0< float > &v1)
 
float getRMS (utility::vector0< float > &v1, utility::vector0< float > &v2)
 
char * itoa (int n, char *buff, int)
 
char * ftoa (float n, char *buff, char f, int prec)
 
int MKDIR (const char *dirName)
 
bool isDirExists (const string &Dir)
 
std::string simplifyWhiteSpace (const std::string &str)
 
int contains (const std::string &str, const std::string &c)
 
int contains (const string &str, const char &c)
 
bool isDigit (const char &c)
 
bool isSpace (const char &c)
 
StringList split (const char sep, const string &str)
 
StringList split (const string &sep, const string &str)
 
StringList split_WhiteSpace (const string &str)
 
char * section (const string &str, const char &sep, char *buff, int start, int end)
 

Typedef Documentation

typedef boost::unordered_map<int, double> protocols::sparta::DoubleD1
typedef boost::unordered_map<int, boost::unordered_map<int, double> > protocols::sparta::DoubleD2
typedef boost::unordered_map< std::string, std::string > protocols::sparta::GDB_Entry
typedef float protocols::sparta::Mat3[3][3]
typedef boost::unordered_map<int, PDB_Entry> protocols::sparta::Mol
typedef boost::unordered_map<int, Mol> protocols::sparta::Mols
typedef boost::unordered_map<float, boost::unordered_map<float, float> > protocols::sparta::PHIPSI_ERR_SURF
typedef float protocols::sparta::Vec3[3]

Function Documentation

void protocols::sparta::calc_per_residue_scores ( boost::unordered_map< int, std::string > &  atom_names,
GDB &  Pred_Sum,
GDB &  REF_CS_Tab,
GDB &  COMP_Tab,
utility::vector1< float > &  per_residue_scores 
)
core::Real protocols::sparta::compareRef_fxn ( boost::unordered_map< int, std::string > &  names,
GDB &  Pred_Sum,
GDB &  REF_CS_Tab,
GDB &  COMP_Tab 
)
int protocols::sparta::contains ( const std::string &  str,
const std::string &  c 
)
int protocols::sparta::contains ( const string &  str,
const char &  c 
)
char * protocols::sparta::ftoa ( float  n,
char *  buff,
char  f,
int  prec 
)
float protocols::sparta::getAVG ( utility::vector0< float > &  v1)

Referenced by calc_per_residue_scores(), and getSTD().

float protocols::sparta::getDiff ( float  ang1,
float  ang2 
)
float protocols::sparta::getRMS ( utility::vector0< float > &  v1,
utility::vector0< float > &  v2 
)

Referenced by calc_per_residue_scores().

float protocols::sparta::getSTD ( utility::vector0< float > &  v1)

References getAVG().

bool protocols::sparta::isDigit ( const char &  c)
bool protocols::sparta::isDirExists ( const string &  Dir)
bool protocols::sparta::isSpace ( const char &  c)

Referenced by simplifyWhiteSpace().

char * protocols::sparta::itoa ( int  n,
char *  buff,
int   
)
int protocols::sparta::MKDIR ( const char *  dirName)
char * protocols::sparta::section ( const string &  str,
const char &  sep,
char *  buff,
int  start,
int  end 
)
std::string protocols::sparta::simplifyWhiteSpace ( const std::string &  str)
StringList protocols::sparta::split ( const char  sep,
const string &  str 
)
StringList protocols::sparta::split ( const string &  sep,
const string &  str 
)
StringList protocols::sparta::split_WhiteSpace ( const string &  str)
static basic::Tracer protocols::sparta::tr ( "protocols.sparta"  )
static
static basic::Tracer protocols::sparta::tr ( "protocols.sparta"  )
static