PackingStatistics Class Reference

#include <packing_statistics.hh>

Inherits ost::mol::EntityVisitor.

Public Member Functions
	PackingStatistics (Real cutoff, int max_counts, int bucket_size)
	PackingStatistics ()
int	GetBucketSize () const
int	GetMaxCounts () const
Real	GetCutoffDistance () const
void	Extract (mol::EntityView view, const mol::EntityViewList &views)
void	SaveToFile (const String &filename)
virtual bool	VisitAtom (const mol::AtomHandle &atom)
uint64_t	GetCount (AminoAcid aa) const
uint64_t	GetCount (AminoAcid aa, int count) const
uint64_t	GetTotalCount () const
uint64_t	GetCount (int count) const
template<typename DS >
void	Serialize (DS &ds)
Static Public Member Functions
static PackingStatisticsPtr	LoadFromFile (const String &filename)
Data Fields
Real	cutoff_
int	max_counts_
int	bucket_size_

---

Detailed Description

Definition at line 35 of file packing_statistics.hh.

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Constructor & Destructor Documentation

PackingStatistics	(	Real	cutoff,
		int	max_counts,
		int	bucket_size
	)

PackingStatistics

(

)

---

Member Function Documentation

void Extract	(	mol::EntityView	view,
		const mol::EntityViewList &	views
	)

extract packing statistics of entity view.

For each peptide residue in view, the total number of CB (CA for glycine) in views are counted.

int GetBucketSize

(

)

const

Get bucket size for counts, i.e. 2 indicates that a residue with 6 and 7 seven CB within the cutoff radius have the same packing.

uint64_t GetCount

(

int

count

)

const

uint64_t GetCount	(	AminoAcid	aa,
		int	count
	)			const

uint64_t GetCount

(

AminoAcid

aa

)

const

Real GetCutoffDistance

(

)

const

Get cutoff radius of sphere around CB.

int GetMaxCounts

(

)

const

Get maximal count of CB atoms inside cutoff distance. larger values are truncated.

uint64_t GetTotalCount

(

)

const

static PackingStatisticsPtr LoadFromFile

(

const String &

filename

)

[static]

void SaveToFile

(

const String &

filename

)

void Serialize

(

DS &

ds

)

[inline]

Definition at line 70 of file packing_statistics.hh.

virtual bool VisitAtom

(

const mol::AtomHandle &

a

)

[virtual]

Atom callback.

Reimplemented from EntityVisitor.

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Field Documentation

int bucket_size_

Definition at line 80 of file packing_statistics.hh.

Real cutoff_

Definition at line 78 of file packing_statistics.hh.

int max_counts_

Definition at line 79 of file packing_statistics.hh.

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

• stage/include/ost/qa/packing_statistics.hh