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Public Types | Public Member Functions | Static Public Member Functions
OMF Class Reference

#include <omf.hh>

Public Types

enum  OMFOption {
  DEFAULT_PEPLIB = 1, AVG_BFACTORS = 2, ROUND_BFACTORS = 4, SKIP_SS = 8,
  INFER_PEP_BONDS = 16, DEFAULT_PEPLIB = 1, AVG_BFACTORS = 2, ROUND_BFACTORS = 4,
  SKIP_SS = 8, INFER_PEP_BONDS = 16
}
 
enum  OMFOption {
  DEFAULT_PEPLIB = 1, AVG_BFACTORS = 2, ROUND_BFACTORS = 4, SKIP_SS = 8,
  INFER_PEP_BONDS = 16, DEFAULT_PEPLIB = 1, AVG_BFACTORS = 2, ROUND_BFACTORS = 4,
  SKIP_SS = 8, INFER_PEP_BONDS = 16
}
 

Public Member Functions

bool OptionSet (OMFOption opt) const
 
void ToFile (const String &fn) const
 
String ToString () const
 
ost::mol::EntityHandle GetAU () const
 
ost::mol::EntityHandle GetEntity () const
 
ost::mol::EntityHandle GetAUChain (const String &name) const
 
ost::mol::EntityHandle GetEntityChain (const String &name) const
 
int GetVersion () const
 
Real GetMaxError () const
 
String GetName () const
 
std::vector< String > GetChainNames () const
 
const geom::Vec3List & GetPositions (const String &cname) const
 
const std::vector< Real > & GetBFactors (const String &cname) const
 
std::vector< Real > GetAvgBFactors (const String &cname) const
 
String GetSequence (const String &cname) const
 
bool OptionSet (OMFOption opt) const
 
void ToFile (const String &fn) const
 
String ToString () const
 
ost::mol::EntityHandle GetAU () const
 
ost::mol::EntityHandle GetEntity () const
 
ost::mol::EntityHandle GetAUChain (const String &name) const
 
ost::mol::EntityHandle GetEntityChain (const String &name) const
 
int GetVersion () const
 
Real GetMaxError () const
 
String GetName () const
 
std::vector< String > GetChainNames () const
 
const geom::Vec3List & GetPositions (const String &cname) const
 
const std::vector< Real > & GetBFactors (const String &cname) const
 
std::vector< Real > GetAvgBFactors (const String &cname) const
 
String GetSequence (const String &cname) const
 

Static Public Member Functions

static OMFPtr FromEntity (const ost::mol::EntityHandle &ent, Real max_error=0.0, uint8_t options=0)
 
static OMFPtr FromFile (const String &fn)
 
static OMFPtr FromString (const String &s)
 
static int GetCurrentOMFVersion ()
 
static OMFPtr FromEntity (const ost::mol::EntityHandle &ent, Real max_error=0.0, uint8_t options=0)
 
static OMFPtr FromFile (const String &fn)
 
static OMFPtr FromString (const String &s)
 
static int GetCurrentOMFVersion ()
 

Detailed Description

Definition at line 180 of file omf.hh.

Member Enumeration Documentation

enum OMFOption
Enumerator
DEFAULT_PEPLIB 
AVG_BFACTORS 
ROUND_BFACTORS 
SKIP_SS 
INFER_PEP_BONDS 
DEFAULT_PEPLIB 
AVG_BFACTORS 
ROUND_BFACTORS 
SKIP_SS 
INFER_PEP_BONDS 

Definition at line 184 of file omf.hh.

enum OMFOption
Enumerator
DEFAULT_PEPLIB 
AVG_BFACTORS 
ROUND_BFACTORS 
SKIP_SS 
INFER_PEP_BONDS 
DEFAULT_PEPLIB 
AVG_BFACTORS 
ROUND_BFACTORS 
SKIP_SS 
INFER_PEP_BONDS 

Definition at line 184 of file omf.hh.

Member Function Documentation

static OMFPtr FromEntity ( const ost::mol::EntityHandle &  ent,
Real  max_error = 0.0,
uint8_t  options = 0 
)
static
static OMFPtr FromEntity ( const ost::mol::EntityHandle &  ent,
Real  max_error = 0.0,
uint8_t  options = 0 
)
static
static OMFPtr FromFile ( const String &  fn)
static
static OMFPtr FromFile ( const String &  fn)
static
static OMFPtr FromString ( const String &  s)
static
static OMFPtr FromString ( const String &  s)
static
ost::mol::EntityHandle GetAU ( ) const
ost::mol::EntityHandle GetAU ( ) const
ost::mol::EntityHandle GetAUChain ( const String &  name) const
ost::mol::EntityHandle GetAUChain ( const String &  name) const
std::vector<Real> GetAvgBFactors ( const String &  cname) const
std::vector<Real> GetAvgBFactors ( const String &  cname) const
const std::vector<Real>& GetBFactors ( const String &  cname) const
const std::vector<Real>& GetBFactors ( const String &  cname) const
std::vector<String> GetChainNames ( ) const
std::vector<String> GetChainNames ( ) const
static int GetCurrentOMFVersion ( )
inlinestatic

Definition at line 217 of file omf.hh.

static int GetCurrentOMFVersion ( )
inlinestatic

Definition at line 217 of file omf.hh.

ost::mol::EntityHandle GetEntity ( ) const
inline

Definition at line 205 of file omf.hh.

ost::mol::EntityHandle GetEntity ( ) const
inline

Definition at line 205 of file omf.hh.

ost::mol::EntityHandle GetEntityChain ( const String &  name) const
inline

Definition at line 211 of file omf.hh.

ost::mol::EntityHandle GetEntityChain ( const String &  name) const
inline

Definition at line 211 of file omf.hh.

Real GetMaxError ( ) const
inline

Definition at line 219 of file omf.hh.

Real GetMaxError ( ) const
inline

Definition at line 219 of file omf.hh.

String GetName ( ) const
inline

Definition at line 224 of file omf.hh.

String GetName ( ) const
inline

Definition at line 224 of file omf.hh.

const geom::Vec3List& GetPositions ( const String &  cname) const
const geom::Vec3List& GetPositions ( const String &  cname) const
String GetSequence ( const String &  cname) const
String GetSequence ( const String &  cname) const
int GetVersion ( ) const
inline

Definition at line 215 of file omf.hh.

int GetVersion ( ) const
inline

Definition at line 215 of file omf.hh.

bool OptionSet ( OMFOption  opt) const
inline

Definition at line 187 of file omf.hh.

bool OptionSet ( OMFOption  opt) const
inline

Definition at line 187 of file omf.hh.

void ToFile ( const String &  fn) const
void ToFile ( const String &  fn) const
String ToString ( ) const
String ToString ( ) const
The documentation for this class was generated from the following files:
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