CDPL.ConfGen.TorsionLibrary Class Reference

Inheritance diagram for CDPL.ConfGen.TorsionLibrary:

Public Member Functions
None	__init__ ()
	Initializes the TorsionLibrary instance.
None	__init__ (TorsionLibrary lib)
	Initializes a copy of the TorsionLibrary instance lib. More...
None	load (Base.IStream is)
None	loadDefaults ()
None	save (Base.OStream os)
TorsionLibrary	assign (TorsionLibrary lib)
	Replaces the current state of self with a copy of the state of the TorsionLibrary instance lib. More...
Public Member Functions inherited from CDPL.ConfGen.TorsionCategory
None	__init__ (TorsionCategory cat)
	Initializes a copy of the TorsionCategory instance cat. More...
int	getObjectID ()
	Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
TorsionCategory	assign (TorsionCategory cat)
	Replaces the current state of self with a copy of the state of the TorsionCategory instance cat. More...
str	getMatchPatternString ()
None	setMatchPatternString (str ptn_str)
Chem.MolecularGraph	getMatchPattern ()
None	setMatchPattern (Chem.MolecularGraph ptn)
int	getBondAtom1Type ()
None	setBondAtom1Type (int type)
int	getBondAtom2Type ()
None	setBondAtom2Type (int type)
str	getName ()
None	setName (str name)
int	getNumRules (bool recursive=False)
TorsionRule	getRule (int idx)
None	removeRule (int idx)
TorsionRule	addRule (TorsionRule rule)
RuleSequence	getRules ()
int	getNumCategories (bool recursive=False)
TorsionCategory	getCategory (int idx)
None	removeCategory (int idx)
TorsionCategory	addCategory (TorsionCategory cat)
CategorySequence	getCategories ()
None	clear ()
None	swap (TorsionCategory cat)

Static Public Member Functions
None	set (TorsionLibrary map)
TorsionLibrary	get ()

Additional Inherited Members
Properties inherited from CDPL.ConfGen.TorsionCategory
	objectID = property(getObjectID)
	rules = property(getRules)
	categories = property(getCategories)
	numRules = property(getNumRules)
	numCategories = property(getNumCategories)
	bondAtom1Type = property(getBondAtom1Type, setBondAtom1Type)
	bondAtom2Type = property(getBondAtom2Type, setBondAtom2Type)
	matchPatternString = property(getMatchPatternString, setMatchPatternString)
	matchPattern = property(getMatchPattern, setMatchPattern)
	name = property(getName, setName)

Constructor & Destructor Documentation

__init__()

None CDPL.ConfGen.TorsionLibrary.__init__

(

TorsionLibrary

lib

)

Initializes a copy of the TorsionLibrary instance lib.

Parameters

lib	The TorsionLibrary instance to copy.

Member Function Documentation

load()

None CDPL.ConfGen.TorsionLibrary.load

(

Base.IStream

is

)

Parameters

is

save()

None CDPL.ConfGen.TorsionLibrary.save

(

Base.OStream

os

)

Parameters

os

assign()

TorsionLibrary CDPL.ConfGen.TorsionLibrary.assign

(

TorsionLibrary

lib

)

Replaces the current state of self with a copy of the state of the TorsionLibrary instance lib.

Parameters

lib	The TorsionLibrary instance to copy.

Returns

self

set()

None CDPL.ConfGen.TorsionLibrary.set ( TorsionLibrary  map )

static

Parameters

map

get()

TorsionLibrary CDPL.ConfGen.TorsionLibrary.get ( )

static

Parameters

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Returns