CDPL.ForceField.MMFF94SymbolicAtomTypePatternTable.Entry Class Reference

Inheritance diagram for CDPL.ForceField.MMFF94SymbolicAtomTypePatternTable.Entry:

Public Member Functions
None	__init__ (Entry entry)
	Initializes a copy of the Entry instance entry. More...
None	__init__ (Chem.MolecularGraph ptn, str sym_type, bool fallback)
	Initializes the Entry instance. More...
int	getObjectID ()
	Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
Entry	assign (Entry entry)
	Replaces the current state of self with a copy of the state of the Entry instance entry. More...
Chem.MolecularGraph	getPattern ()
str	getSymbolicType ()
bool	isFallbackType ()

Properties
	objectID = property(getObjectID)
	symbolicType = property(getSymbolicType)
	pattern = property(getPattern)
	fallbackType = property(isFallbackType)

Constructor & Destructor Documentation

__init__() [1/2]

None CDPL.ForceField.MMFF94SymbolicAtomTypePatternTable.Entry.__init__

(

Entry

entry

)

Initializes a copy of the Entry instance entry.

Parameters

entry

The Entry instance to copy.

__init__() [2/2]

None CDPL.ForceField.MMFF94SymbolicAtomTypePatternTable.Entry.__init__	(	Chem.MolecularGraph	ptn,
		str	sym_type,
		bool	fallback
	)

Initializes the Entry instance.

Parameters

ptn
sym_type
fallback

Member Function Documentation

getObjectID()

int CDPL.ForceField.MMFF94SymbolicAtomTypePatternTable.Entry.getObjectID

(

)

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

Different Python Entry 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 Entry 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.

assign()

Entry CDPL.ForceField.MMFF94SymbolicAtomTypePatternTable.Entry.assign

(

Entry

entry

)

Replaces the current state of self with a copy of the state of the Entry instance entry.

Parameters

entry

The Entry instance to copy.

Returns

self

getPattern()

Chem.MolecularGraph CDPL.ForceField.MMFF94SymbolicAtomTypePatternTable.Entry.getPattern

(

)

Returns

getSymbolicType()

str CDPL.ForceField.MMFF94SymbolicAtomTypePatternTable.Entry.getSymbolicType

(

)

Returns

isFallbackType()

bool CDPL.ForceField.MMFF94SymbolicAtomTypePatternTable.Entry.isFallbackType

(

)

Returns