CDPL.ForceField.MMFF94SymbolicAtomTypePatternTable Class Reference

Inheritance diagram for CDPL.ForceField.MMFF94SymbolicAtomTypePatternTable:

Classes
class	Entry

Public Member Functions
None	__init__ ()
	Initializes the MMFF94SymbolicAtomTypePatternTable instance.
None	__init__ (MMFF94SymbolicAtomTypePatternTable table)
	Initializes a copy of the MMFF94SymbolicAtomTypePatternTable instance table. More...
int	getObjectID ()
	Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
None	addEntry (Chem.MolecularGraph ptn, str sym_type, bool fallback)
None	removeEntry (int idx)
Entry	getEntry (int idx)
None	clear ()
int	getNumEntries ()
list	getEntries ()
None	load (Base.IStream is)
None	loadDefaults ()
MMFF94SymbolicAtomTypePatternTable	assign (MMFF94SymbolicAtomTypePatternTable table)
	Replaces the current state of self with a copy of the state of the MMFF94SymbolicAtomTypePatternTable instance table. More...

Static Public Member Functions
None	set (MMFF94SymbolicAtomTypePatternTable table)
MMFF94SymbolicAtomTypePatternTable	get ()

Properties
	objectID = property(getObjectID)
	numEntries = property(getNumEntries)
	entries = property(getEntries)

Constructor & Destructor Documentation

__init__()

None CDPL.ForceField.MMFF94SymbolicAtomTypePatternTable.__init__

(

MMFF94SymbolicAtomTypePatternTable

table

)

Initializes a copy of the MMFF94SymbolicAtomTypePatternTable instance table.

Parameters

table

The MMFF94SymbolicAtomTypePatternTable instance to copy.

Member Function Documentation

getObjectID()

int CDPL.ForceField.MMFF94SymbolicAtomTypePatternTable.getObjectID

(

)

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

Different Python MMFF94SymbolicAtomTypePatternTable 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 MMFF94SymbolicAtomTypePatternTable 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.

addEntry()

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

Parameters

ptn
sym_type
fallback

removeEntry()

None CDPL.ForceField.MMFF94SymbolicAtomTypePatternTable.removeEntry

(

int

idx

)

Parameters

idx

getEntry()

Entry CDPL.ForceField.MMFF94SymbolicAtomTypePatternTable.getEntry

(

int

idx

)

Parameters

idx

Returns

getNumEntries()

int CDPL.ForceField.MMFF94SymbolicAtomTypePatternTable.getNumEntries

(

)

Returns

getEntries()

list CDPL.ForceField.MMFF94SymbolicAtomTypePatternTable.getEntries

(

)

Returns

load()

None CDPL.ForceField.MMFF94SymbolicAtomTypePatternTable.load

(

Base.IStream

is

)

Parameters

is

assign()

MMFF94SymbolicAtomTypePatternTable CDPL.ForceField.MMFF94SymbolicAtomTypePatternTable.assign

(

MMFF94SymbolicAtomTypePatternTable

table

)

Replaces the current state of self with a copy of the state of the MMFF94SymbolicAtomTypePatternTable instance table.

Parameters

table

The MMFF94SymbolicAtomTypePatternTable instance to copy.

Returns

self

set()

None CDPL.ForceField.MMFF94SymbolicAtomTypePatternTable.set ( MMFF94SymbolicAtomTypePatternTable  table )

static

Parameters

table

get()

MMFF94SymbolicAtomTypePatternTable CDPL.ForceField.MMFF94SymbolicAtomTypePatternTable.get ( )

static

Parameters

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Returns