ESBTL::Radius_of_atom< NT, Atom > Class Template Reference

#include <atom_classifier.h>

List of all members.

Public Types
typedef Atom	Query_type
typedef std::string	Key_type
typedef NT	Value_type
Public Member Functions
	Radius_of_atom (const NT &radius, const unsigned &index)
NT	value () const
	Radius_of_atom (std::stringstream &ss, unsigned index)
Static Public Member Functions
template<class Dictionary , class Vector_properties >
static unsigned	default_loader (Dictionary &dict, Vector_properties &vect)
static std::string	make_key (const Atom &atom)
template<class Dictionary >
static unsigned	add_classification (std::stringstream &ss, Dictionary &dict)
static void	handle_extra (std::stringstream &)
static int &	index_of_default ()

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Detailed Description

template<class NT, class Atom>
class ESBTL::Radius_of_atom< NT, Atom >

A property class associating a radius to an atom.

Template Parameters:

NT	is the number type used for the radius.
Atom	is the atom type.

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Member Typedef Documentation

template<class NT, class Atom>

typedef std::string ESBTL::Radius_of_atom< NT, Atom >::Key_type

The type of the hash key

template<class NT, class Atom>

typedef Atom ESBTL::Radius_of_atom< NT, Atom >::Query_type

The type on which the queries are made,

template<class NT, class Atom>

typedef NT ESBTL::Radius_of_atom< NT, Atom >::Value_type

The number type of the property stored, here the radius.

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Constructor & Destructor Documentation

template<class NT, class Atom>

ESBTL::Radius_of_atom< NT, Atom >::Radius_of_atom	(	const NT &	radius,
		const unsigned &	index
	)		[inline]

Constructor

Parameters:

radius	is the radius associated to this property class.
index	is the index of the property.

template<class NT, class Atom>

ESBTL::Radius_of_atom< NT, Atom >::Radius_of_atom	(	std::stringstream &	ss,
		unsigned	index
	)		[inline]

Constructor

Parameters:

ss	is a string stream containing information about the property. ss must contains the radius associated to index (ex: 1.4).
index	is the index of the property.

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Member Function Documentation

template<class NT, class Atom>

template<class Dictionary >

static unsigned ESBTL::Radius_of_atom< NT, Atom >::add_classification	(	std::stringstream &	ss,
		Dictionary &	dict
	)		[inline, static]

Function adding the classification of an atom type.

Template Parameters:

Dictionary

an associative container, mapping a Query_type to the index of a property.

Parameters:

ss	is a string stream containing the classification of an atom type. ss must contains in this order the residue name, the atom name and the index of the property (ex: ALA N 5)
dict	is the container mapping atoms to the index of a property.

template<class NT, class Atom>

template<class Dictionary , class Vector_properties >

static unsigned ESBTL::Radius_of_atom< NT, Atom >::default_loader	(	Dictionary &	dict,
		Vector_properties &	vect
	)		[inline, static]

Function filling default radius of atoms. Current implementation uses radii from Tsai J, Taylor R, Chothia C, Gerstein M. J Mol Biol. 1999 Jul 2;290(1):253-66.

Template Parameters:

Dictionary	an associative container, mapping a Query_type to the index of a property.
Vector_properties	is a vector storing the properties.

Parameters:

dict	is the container mapping atoms to the index of a property.
vect	is a vector storing properties.

template<class NT, class Atom>

static void ESBTL::Radius_of_atom< NT, Atom >::handle_extra

(

std::stringstream &

)

[inline, static]

Unused function in that class (but definition needed by the classifier).

Parameters:

ss	a string stream.

template<class NT, class Atom>

static int& ESBTL::Radius_of_atom< NT, Atom >::index_of_default

(

)

[inline, static]

Function indicating the index of the property assigned to an unknown atom type. By default this value is -1, which indicate to the classifier that unknown atoms are not expected.

template<class NT, class Atom>

static std::string ESBTL::Radius_of_atom< NT, Atom >::make_key

(

const Atom &

atom

)

[inline, static]

Function defining a unique identifier of an atom type.

Parameters:

atom	is an atom.

template<class NT, class Atom>

NT ESBTL::Radius_of_atom< NT, Atom >::value

(

)

const [inline]

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

• atom_classifier.h