CDPL.ConfGen.TorsionRuleMatch Class Reference

Inheritance diagram for CDPL.ConfGen.TorsionRuleMatch:

Classes
class	AtomArray

Public Member Functions
None	__init__ (TorsionRuleMatch match)
	Initializes a copy of the TorsionRuleMatch instance match. More...
None	__init__ (TorsionRule rule, Chem.Bond bond, Chem.Atom atom1, Chem.Atom atom2, Chem.Atom atom3, Chem.Atom atom4)
	Initializes the TorsionRuleMatch instance. More...
int	getObjectID ()
	Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
AtomArray	getAtoms ()
Chem.Bond	getBond ()
TorsionRule	getRule ()
TorsionRuleMatch	assign (TorsionRuleMatch match)
	Replaces the current state of self with a copy of the state of the TorsionRuleMatch instance match. More...

Properties
	objectID = property(getObjectID)
	rule = property(getRule)
	bond = property(getBond)
	atoms = property(getAtoms)

Constructor & Destructor Documentation

__init__() [1/2]

None CDPL.ConfGen.TorsionRuleMatch.__init__

(

TorsionRuleMatch

match

)

Initializes a copy of the TorsionRuleMatch instance match.

Parameters

match

The TorsionRuleMatch instance to copy.

__init__() [2/2]

None CDPL.ConfGen.TorsionRuleMatch.__init__	(	TorsionRule	rule,
		Chem.Bond	bond,
		Chem.Atom	atom1,
		Chem.Atom	atom2,
		Chem.Atom	atom3,
		Chem.Atom	atom4
	)

Initializes the TorsionRuleMatch instance.

Parameters

rule
bond
atom1
atom2
atom3
atom4

Member Function Documentation

getObjectID()

int CDPL.ConfGen.TorsionRuleMatch.getObjectID

(

)

Returns the numeric identifier (ID) of the wrapped C++ class instance.

Different Python TorsionRuleMatch instances may reference the same underlying C++ class instance. The commonly used Python expression a is not b thus cannot tell reliably whether the two TorsionRuleMatch instances a and b reference different C++ objects. The numeric identifier returned by this method allows to correctly implement such an identity test via the simple expression a.getObjectID() != b.getObjectID().

Returns

The numeric ID of the internally referenced C++ class instance.

getAtoms()

AtomArray CDPL.ConfGen.TorsionRuleMatch.getAtoms

(

)

Returns

getBond()

Chem.Bond CDPL.ConfGen.TorsionRuleMatch.getBond

(

)

Returns

getRule()

TorsionRule CDPL.ConfGen.TorsionRuleMatch.getRule

(

)

Returns

assign()

TorsionRuleMatch CDPL.ConfGen.TorsionRuleMatch.assign

(

TorsionRuleMatch

match

)

Replaces the current state of self with a copy of the state of the TorsionRuleMatch instance match.

Parameters

match

The TorsionRuleMatch instance to copy.

Returns

self