CDPL.ForceField.MMFF94AromaticAtomTypeDefinitionTable Class Reference

Inheritance diagram for CDPL.ForceField.MMFF94AromaticAtomTypeDefinitionTable:

Classes
class	Entry

Public Member Functions
None	__init__ ()
	Initializes the MMFF94AromaticAtomTypeDefinitionTable instance.
None	__init__ (MMFF94AromaticAtomTypeDefinitionTable table)
	Initializes a copy of the MMFF94AromaticAtomTypeDefinitionTable instance table. More...
int	getObjectID ()
	Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
None	addEntry (str old_type, str aro_type, int atomic_no, int ring_size, int het_atom_dist, bool im_cation, bool n5_anion)
None	removeEntry (int idx)
Entry	getEntry (int idx)
None	clear ()
int	getNumEntries ()
list	getEntries ()
None	load (Base.IStream is)
None	loadDefaults ()
MMFF94AromaticAtomTypeDefinitionTable	assign (MMFF94AromaticAtomTypeDefinitionTable table)
	Replaces the current state of self with a copy of the state of the MMFF94AromaticAtomTypeDefinitionTable instance table. More...

Static Public Member Functions
None	set (MMFF94AromaticAtomTypeDefinitionTable table)
MMFF94AromaticAtomTypeDefinitionTable	get ()

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

Constructor & Destructor Documentation

__init__()

None CDPL.ForceField.MMFF94AromaticAtomTypeDefinitionTable.__init__

(

MMFF94AromaticAtomTypeDefinitionTable

table

)

Initializes a copy of the MMFF94AromaticAtomTypeDefinitionTable instance table.

Parameters

table

The MMFF94AromaticAtomTypeDefinitionTable instance to copy.

Member Function Documentation

getObjectID()

int CDPL.ForceField.MMFF94AromaticAtomTypeDefinitionTable.getObjectID

(

)

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

Different Python MMFF94AromaticAtomTypeDefinitionTable 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 MMFF94AromaticAtomTypeDefinitionTable 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.MMFF94AromaticAtomTypeDefinitionTable.addEntry	(	str	old_type,
		str	aro_type,
		int	atomic_no,
		int	ring_size,
		int	het_atom_dist,
		bool	im_cation,
		bool	n5_anion
	)

Parameters

old_type
aro_type
atomic_no
ring_size
het_atom_dist
im_cation
n5_anion

removeEntry()

None CDPL.ForceField.MMFF94AromaticAtomTypeDefinitionTable.removeEntry

(

int

idx

)

Parameters

idx

getEntry()

Entry CDPL.ForceField.MMFF94AromaticAtomTypeDefinitionTable.getEntry

(

int

idx

)

Parameters

idx

Returns

getNumEntries()

int CDPL.ForceField.MMFF94AromaticAtomTypeDefinitionTable.getNumEntries

(

)

Returns

getEntries()

list CDPL.ForceField.MMFF94AromaticAtomTypeDefinitionTable.getEntries

(

)

Returns

load()

None CDPL.ForceField.MMFF94AromaticAtomTypeDefinitionTable.load

(

Base.IStream

is

)

Parameters

is

assign()

MMFF94AromaticAtomTypeDefinitionTable CDPL.ForceField.MMFF94AromaticAtomTypeDefinitionTable.assign

(

MMFF94AromaticAtomTypeDefinitionTable

table

)

Replaces the current state of self with a copy of the state of the MMFF94AromaticAtomTypeDefinitionTable instance table.

Parameters

table

The MMFF94AromaticAtomTypeDefinitionTable instance to copy.

Returns

self

set()

None CDPL.ForceField.MMFF94AromaticAtomTypeDefinitionTable.set ( MMFF94AromaticAtomTypeDefinitionTable  table )

static

Parameters

table

get()

MMFF94AromaticAtomTypeDefinitionTable CDPL.ForceField.MMFF94AromaticAtomTypeDefinitionTable.get ( )

static

Parameters

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Returns