PResources Class Reference

#include <PResources.h>

List of all members.

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Detailed Description

A resource manager allowing lookups and insertions of atom shells, block shells, block connections and residue shells by name.

Static Public Member Functions
static void	FreeResources ()
static PAtomShell *	GetAtomShell (const string &name)
static PBlockShell *	GetBlockShell (const string &name)
static PBlockConnection *	GetBlockConnection (const string &definedName, const string &toDefineName)
static PResidueShell *	GetResidueShell (const string &name)
static Real	GetEpsilonValue (const StringPair &elemPair)
static string	GetAtomIDMapping (const string &id, const string &resName)
static vector< string >	GetChiIndex (const string &resName, int chiIndex)
static vector< vector< Real > >	GetRotamer (const string &resName)
static int	GetRotamerSize (const string &resName)
static bool	ContainsAtomShell (const string &name)
static bool	ContainsBlockShell (const string &name)
static bool	ContainsBlockConnection (const string &definedName, const string &toDefineName)
static bool	ContainsResidueShell (const string &name)
static bool	ContainsAtomIDMapping (const string &id, const string &resName)
static bool	ContainsChiIndex (const string &resName, int chiIndex)
static bool	ContainsRotamer (const string &resName)
static int	numAtoms ()
static int	numBlocks ()
static int	numConnections ()
static int	numResidues ()
static int	numChiIndices (const string &resName)
static vector< string >	getAtomNames ()
static vector< string >	getBlockNames ()
static vector< StringPair >	getConnectionNames ()
static vector< string >	getResidueNames ()
Friends
class	PInit

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Member Function Documentation

void PResources::FreeResources

(

)

[static]

Empties the resource manager and frees all memory associated with existing resources.

PAtomShell * PResources::GetAtomShell

(

const string &

name

)

[static]

Returns the atom shell mapped to the specified name. Throws a resource error if the atom shell has not been inserted.

PBlockShell * PResources::GetBlockShell

(

const string &

name

)

[static]

Returns the block shell mapped to the specified name. Throws a resource error if the block shell has not been inserted.

PBlockConnection * PResources::GetBlockConnection	(	const string &	definedName,
		const string &	toDefineName
	)			[static]

Returns the block connection mapped to the specified pair of defined-toDefine blocks. Throws a resource error if this block connection has not been inserted.

PResidueShell * PResources::GetResidueShell

(

const string &

name

)

[static]

Returns the residue shell mapped to the specified name. Throws a resource error if the block shell has not been inserted.

Real PResources::GetEpsilonValue

(

const StringPair &

elemPair

)

[static]

Returns the epsilon (van der Waals energy coefficient) value for the specified element pair, e.g. ("C", "S").

string PResources::GetAtomIDMapping	(	const string &	id,
		const string &	resName
	)			[static]

Returns the new atom ID to use, if defined, when the specified id is read from PDB in a residue named resName.

vector< string > PResources::GetChiIndex	(	const string &	resName,
		int	chiIndex
	)			[static]

Returns the pair of atom IDs that form the specified chi angle in the specified residue.

vector< vector< Real > > PResources::GetRotamer

(

const string &

resName

)

[static]

Returns all rotamer data for the specified residue.

int PResources::GetRotamerSize

(

const string &

resName

)

[static]

Returns the number of rotamer configurations available for the specified residue.

static bool PResources::ContainsAtomShell

(

const string &

name

)

[inline, static]

Returns true if the resource manager contains the atom shell name, false otherwise.

static bool PResources::ContainsBlockShell

(

const string &

name

)

[inline, static]

Returns true if the resource manager contains the block shell name, falseotherwise.

static bool PResources::ContainsBlockConnection	(	const string &	definedName,
		const string &	toDefineName
	)			[inline, static]

Returns true if the resource manager contains a block connection between definedName and toDefineName, false otherwise.

static bool PResources::ContainsResidueShell

(

const string &

name

)

[inline, static]

Returns true if the resource manager contains the residue shell name, false otherwise.

static bool PResources::ContainsAtomIDMapping	(	const string &	id,
		const string &	resName
	)			[inline, static]

Returns true if the resource manager contains an atom ID mapping to use when atom id is read from PDB in a residue named resName, false otherwise.

static bool PResources::ContainsChiIndex	(	const string &	resName,
		int	chiIndex
	)			[inline, static]

Returns true if the resource manager contains a mapping for the specified chiIndex in the specified residue.

static bool PResources::ContainsRotamer

(

const string &

resName

)

[inline, static]

Returns true if the resource manager contains rotamer data for residue resName, false otherwise.

static int PResources::numAtoms

(

)

[inline, static]

Returns the number of atom shells currently in the resource manager.

static int PResources::numBlocks

(

)

[inline, static]

Returns the number of block shells currently in the resource manager.

static int PResources::numConnections

(

)

[inline, static]

Returns the number of block connections currently in the resource manager.

static int PResources::numResidues

(

)

[inline, static]

Returns the number of residue shells currently in the resource manager.

int PResources::numChiIndices

(

const string &

resName

)

[static]

Returns the number of chi indices in the resource manager for residue resName.

static vector<string> PResources::getAtomNames

(

)

[inline, static]

Returns the names of all atom shells currently in the resource manager.

static vector<string> PResources::getBlockNames

(

)

[inline, static]

Returns the names of all block shells currently in the resource manager.

static vector<StringPair> PResources::getConnectionNames

(

)

[inline, static]

Returns the names of all block connections currently in the resource manager.

static vector<string> PResources::getResidueNames

(

)

[inline, static]

Returns the names of all residue shells currently in the resource manager.

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Friends And Related Function Documentation

friend class PInit [friend]

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

• src/core/PResources.h
• src/core/PResources.cc

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