OpenStructure
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ost::qa Namespace Reference

Namespaces

namespace  atom
namespace  impl

Data Structures

struct  AllAtomPotentialOpts
 interaction statistics options More...
class  AllAtomPotential
class  AminoAcidSetIterator
class  AminoAcidSet
 Amino acid bit set. More...
class  Histogram
 histogram specialization for multi classifier More...
class  Index< 1 >
class  Index< 2 >
class  Index< 3 >
class  Index< 4 >
class  Index< 5 >
class  Index< 6 >
class  Index< 7 >
class  IndexIterator
class  InteractionStatistics
class  ClassifierBase
 Base class for classifiers. More...
class  IntegralClassifier
 Classifier for integral classes. More...
class  ContinuousClassifier
 Classifier for real valued classes. More...
struct  Classifier< int >
struct  Classifier< Real >
struct  Classifier< impl::NullType >
struct  NullFind
struct  IndexFind< C, impl::NullType, I >
struct  IndexFind
struct  NumberOfClasses< impl::NullType >
struct  NumberOfClasses
class  MultiClassifier
 generic n-dimensional classifier More...
struct  PackingPotentialOpts
class  PackingPotential
 packing (solvent accessibility) potential More...
class  PackingStatistics
class  ReducedPotential
 reduced model statistical potential operating on the residue level More...
struct  ReducedStatOptions
 aggregates the option for the reduced model statistics More...
class  ReducedStatistics
struct  TorsionPotentialOptsSolis
 torsion potential options More...
class  TorsionPotentialSolis
 Torsion potential. More...
class  TorsionStatisticsSolis
 sequence dependent torsion statistics More...
struct  TorsionPotentialOpts
 torsion potential options More...
class  TorsionPotential
 Torsion potential. More...
class  TorsionStatistics
 sequence dependent torsion statistics More...

Typedefs

typedef boost::shared_ptr
< AllAtomPotential
AllAtomPotentialPtr
typedef Histogram< int, int, RealInteractionHistogram
typedef boost::shared_ptr
< InteractionStatistics
InteractionStatisticsPtr
typedef boost::shared_ptr
< PackingPotential
PackingPotentialPtr
typedef Histogram< int, int > PackingHistogram
typedef boost::shared_ptr
< PackingStatistics
PackingStatisticsPtr
typedef boost::shared_ptr
< ReducedPotential
ReducedPotentialPtr
typedef MultiClassifier< float,
int, int, float, float > 
ReducedEnergies
typedef boost::shared_ptr
< ReducedStatistics
ReducedStatisticsPtr
typedef Histogram< int, int,
float, float > 
ReducedHistogram
typedef std::vector< AminoAcidSetAminoAcidAlphabet
typedef boost::shared_ptr
< TorsionPotentialSolis
TorsionPotentialSolisPtr
typedef boost::shared_ptr
< TorsionStatisticsSolis
TorsionStatisticsSolisPtr
typedef boost::shared_ptr
< TorsionPotential
TorsionPotentialPtr
typedef boost::shared_ptr
< TorsionStatistics
TorsionStatisticsPtr

Enumerations

enum  AminoAcid {
  Ala, Arg, Asn, Asp,
  Gln, Glu, Lys, Ser,
  Cys, Met, Trp, Tyr,
  Thr, Val, Ile, Leu,
  Gly, Pro, His, Phe,
  Xxx
}

Functions

DLLEXPORT_OST_QA AminoAcid ResidueToAminoAcid (const mol::ResidueHandle &r)
DLLEXPORT_OST_QA String AminoAcidToResidueName (AminoAcid aa)
DLLEXPORT_OST_QA String OneLetterCodeToResidueName (char olc)
DLLEXPORT_OST_QA AminoAcid OneLetterCodeToAminoAcid (char olc)
char DLLEXPORT_OST_QA ResidueNameToOneLetterCode (String rn)
DLLEXPORT_OST_QA std::ostream & operator<< (std::ostream &os, const AminoAcidSet &aa_set)
DLLEXPORT_OST_QA atom::ChemType GetAtomTypeByName (AminoAcid amino_acid, const String &aname)
Real DLLEXPORT_OST_QA ClashScore (const mol::EntityView &ent_a, const mol::EntityView &ent_b)
Real DLLEXPORT_OST_QA ClashScore (const mol::EntityHandle &ent_a, const mol::EntityView &ent_b)
Real DLLEXPORT_OST_QA ClashScore (const mol::AtomHandle &atom, const mol::EntityView &ent_b)
Real DLLEXPORT_OST_QA StericEnergy (const geom::Vec3 &pos1, Real r1, const geom::Vec3 &pos2, Real r2)

Typedef Documentation

typedef boost::shared_ptr<AllAtomPotential> AllAtomPotentialPtr

Definition at line 32 of file all_atom_potential.hh.

typedef std::vector< AminoAcidSet > AminoAcidAlphabet

Definition at line 33 of file solis_torsion_potential.hh.

typedef Histogram<int, int, Real> InteractionHistogram

histogram for interaction histogram

the meaning of the dimensions is: type of first interaction partner, type of second interaction partner, distance between the two paterns.

Definition at line 39 of file interaction_statistics.hh.

typedef boost::shared_ptr<InteractionStatistics> InteractionStatisticsPtr

Definition at line 40 of file interaction_statistics.hh.

typedef Histogram<int, int> PackingHistogram

two dimensional histogram the meaning of the histogram axes is: amino acid type, number of atoms inside of cutoff radius.

Definition at line 32 of file packing_statistics.hh.

typedef boost::shared_ptr<PackingPotential> PackingPotentialPtr

Definition at line 57 of file packing_potential.hh.

typedef boost::shared_ptr<PackingStatistics> PackingStatisticsPtr

Definition at line 33 of file packing_statistics.hh.

typedef MultiClassifier<float, int, int, float, float> ReducedEnergies

Definition at line 32 of file reduced_potential.hh.

typedef Histogram<int, int, float, float> ReducedHistogram

Definition at line 71 of file reduced_statistics.hh.

typedef boost::shared_ptr<ReducedPotential> ReducedPotentialPtr

Definition at line 28 of file reduced_potential.hh.

typedef boost::shared_ptr<ReducedStatistics> ReducedStatisticsPtr

Definition at line 65 of file reduced_statistics.hh.

typedef boost::shared_ptr<TorsionPotential> TorsionPotentialPtr

Definition at line 65 of file torsion_potential.hh.

typedef boost::shared_ptr<TorsionPotentialSolis> TorsionPotentialSolisPtr

Definition at line 61 of file solis_torsion_potential.hh.

typedef boost::shared_ptr<TorsionStatistics> TorsionStatisticsPtr

Definition at line 31 of file torsion_statistics.hh.

Definition at line 41 of file solis_torsion_statistics.hh.


Enumeration Type Documentation

enum AminoAcid
Enumerator:
Ala 
Arg 
Asn 
Asp 
Gln 
Glu 
Lys 
Ser 
Cys 
Met 
Trp 
Tyr 
Thr 
Val 
Ile 
Leu 
Gly 
Pro 
His 
Phe 
Xxx 

Definition at line 34 of file amino_acids.hh.


Function Documentation

DLLEXPORT_OST_QA String ost::qa::AminoAcidToResidueName ( AminoAcid  aa)
DLLEXPORT_OST_QA atom::ChemType ost::qa::GetAtomTypeByName ( AminoAcid  amino_acid,
const String aname 
)
DLLEXPORT_OST_QA AminoAcid ost::qa::OneLetterCodeToAminoAcid ( char  olc)
DLLEXPORT_OST_QA String ost::qa::OneLetterCodeToResidueName ( char  olc)
DLLEXPORT_OST_QA std::ostream& ost::qa::operator<< ( std::ostream &  os,
const AminoAcidSet &  aa_set 
)
char DLLEXPORT_OST_QA ost::qa::ResidueNameToOneLetterCode ( String  rn)
DLLEXPORT_OST_QA AminoAcid ost::qa::ResidueToAminoAcid ( const mol::ResidueHandle &  r)

from residue name to amino acid.

for non standard amino acids Xxx is returned.