CDPL.ForceField.MMFF94HeavyToHydrogenAtomTypeMap Class Reference

Inheritance diagram for CDPL.ForceField.MMFF94HeavyToHydrogenAtomTypeMap:

Classes
class	Entry

Public Member Functions
None	__init__ ()
	Initializes the MMFF94HeavyToHydrogenAtomTypeMap instance.
None	__init__ (MMFF94HeavyToHydrogenAtomTypeMap map)
	Initializes a copy of the MMFF94HeavyToHydrogenAtomTypeMap instance map. More...
int	getObjectID ()
	Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
None	addEntry (str parent_type, str h_atom_type)
bool	removeEntry (str parent_type)
object	getEntry (str parent_type)
None	clear ()
int	getNumEntries ()
list	getEntries ()
None	load (Base.IStream is)
None	loadDefaults ()
MMFF94HeavyToHydrogenAtomTypeMap	assign (MMFF94HeavyToHydrogenAtomTypeMap map)
	Replaces the current state of self with a copy of the state of the MMFF94HeavyToHydrogenAtomTypeMap instance map. More...

Static Public Member Functions
None	set (MMFF94HeavyToHydrogenAtomTypeMap map)
MMFF94HeavyToHydrogenAtomTypeMap	get ()

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

Constructor & Destructor Documentation

__init__()

None CDPL.ForceField.MMFF94HeavyToHydrogenAtomTypeMap.__init__

(

MMFF94HeavyToHydrogenAtomTypeMap

map

)

Initializes a copy of the MMFF94HeavyToHydrogenAtomTypeMap instance map.

Parameters

map	The MMFF94HeavyToHydrogenAtomTypeMap instance to copy.

Member Function Documentation

getObjectID()

int CDPL.ForceField.MMFF94HeavyToHydrogenAtomTypeMap.getObjectID

(

)

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

Different Python MMFF94HeavyToHydrogenAtomTypeMap 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 MMFF94HeavyToHydrogenAtomTypeMap 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.MMFF94HeavyToHydrogenAtomTypeMap.addEntry	(	str	parent_type,
		str	h_atom_type
	)

Parameters

parent_type
h_atom_type

removeEntry()

bool CDPL.ForceField.MMFF94HeavyToHydrogenAtomTypeMap.removeEntry

(

str

parent_type

)

Parameters

parent_type

Returns

getEntry()

object CDPL.ForceField.MMFF94HeavyToHydrogenAtomTypeMap.getEntry

(

str

parent_type

)

Parameters

parent_type

Returns

getNumEntries()

int CDPL.ForceField.MMFF94HeavyToHydrogenAtomTypeMap.getNumEntries

(

)

Returns

getEntries()

list CDPL.ForceField.MMFF94HeavyToHydrogenAtomTypeMap.getEntries

(

)

Returns

load()

None CDPL.ForceField.MMFF94HeavyToHydrogenAtomTypeMap.load

(

Base.IStream

is

)

Parameters

is

assign()

MMFF94HeavyToHydrogenAtomTypeMap CDPL.ForceField.MMFF94HeavyToHydrogenAtomTypeMap.assign

(

MMFF94HeavyToHydrogenAtomTypeMap

map

)

Replaces the current state of self with a copy of the state of the MMFF94HeavyToHydrogenAtomTypeMap instance map.

Parameters

map	The MMFF94HeavyToHydrogenAtomTypeMap instance to copy.

Returns

self

set()

None CDPL.ForceField.MMFF94HeavyToHydrogenAtomTypeMap.set ( MMFF94HeavyToHydrogenAtomTypeMap  map )

static

Parameters

map

get()

MMFF94HeavyToHydrogenAtomTypeMap CDPL.ForceField.MMFF94HeavyToHydrogenAtomTypeMap.get ( )

static

Parameters

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Returns