CDPL.ForceField.MMFF94BondStretchingRuleParameterTable.Entry Class Reference

Inheritance diagram for CDPL.ForceField.MMFF94BondStretchingRuleParameterTable.Entry:

Public Member Functions
None	__init__ ()
	Initializes the Entry instance.
None	__init__ (Entry entry)
	Initializes a copy of the Entry instance entry. More...
None	__init__ (int atomic_no1, int atomic_no2, float force_const, float ref_length)
	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...
int	getAtomicNumber1 ()
int	getAtomicNumber2 ()
float	getForceConstant ()
float	getReferenceLength ()
bool	__nonzero__ ()
bool	__bool__ ()

Properties
	objectID = property(getObjectID)
	atomicNo1 = property(getAtomicNumber1)
	atomicNo2 = property(getAtomicNumber2)
	forceConstant = property(getForceConstant)
	referenceLength = property(getReferenceLength)

Constructor & Destructor Documentation

__init__() [1/2]

None CDPL.ForceField.MMFF94BondStretchingRuleParameterTable.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.MMFF94BondStretchingRuleParameterTable.Entry.__init__	(	int	atomic_no1,
		int	atomic_no2,
		float	force_const,
		float	ref_length
	)

Initializes the Entry instance.

Parameters

atomic_no1
atomic_no2
force_const
ref_length

Member Function Documentation

getObjectID()

int CDPL.ForceField.MMFF94BondStretchingRuleParameterTable.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.MMFF94BondStretchingRuleParameterTable.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

getAtomicNumber1()

int CDPL.ForceField.MMFF94BondStretchingRuleParameterTable.Entry.getAtomicNumber1

(

)

Returns

getAtomicNumber2()

int CDPL.ForceField.MMFF94BondStretchingRuleParameterTable.Entry.getAtomicNumber2

(

)

Returns

getForceConstant()

float CDPL.ForceField.MMFF94BondStretchingRuleParameterTable.Entry.getForceConstant

(

)

Returns

getReferenceLength()

float CDPL.ForceField.MMFF94BondStretchingRuleParameterTable.Entry.getReferenceLength

(

)

Returns

__nonzero__()

bool CDPL.ForceField.MMFF94BondStretchingRuleParameterTable.Entry.__nonzero__

(

)

Returns

__bool__()

bool CDPL.ForceField.MMFF94BondStretchingRuleParameterTable.Entry.__bool__

(

)

Returns