_CachedRMSD Class Reference

Public Member Functions
def	__init__
def	GetChainView1
def	GetChainView2
def	GetSuperposition
def	GetMappedRMSD

Data Fields
	ent_1
	ent_2

Detailed Description

Helper object for repetitive RMSD calculations.
Meant to speed up :func:`_GetChainMapping` but could also be used to replace
:func:`_GetMappedRMSD` in :func:`_CheckClosedSymmetry`.

:param ent_1: See :attr:`QSscorer.ent_to_cm_1`
:param ent_2: See :attr:`QSscorer.ent_to_cm_2`

Definition at line 2515 of file qsscoring.py.

Constructor & Destructor Documentation

def __init__	(		self,
			ent_1,
			ent_2
	)

Definition at line 2523 of file qsscoring.py.

Member Function Documentation

def GetChainView1	(		self,
			cname
	)

Get cached view on chain *cname* for :attr:`ent_1`.

Definition at line 2531 of file qsscoring.py.

def GetChainView2	(		self,
			cname
	)

Get cached view on chain *cname* for :attr:`ent_2`.

Definition at line 2537 of file qsscoring.py.

def GetMappedRMSD	(		self,
			chain_mapping,
			transformation
	)

:return: RMSD between complexes considering chain mapping.
:param chain_mapping: See :attr:`QSscorer.chain_mapping`.
:param transformation: Superposition transformation (e.g. res.transformation
                   for res = :func:`GetSuperposition`).

Definition at line 2559 of file qsscoring.py.

def GetSuperposition	(		self,
			c1,
			c2
	)

Get superposition result (no change in entities!) for *c1* to *c2*.
This invalidates cached RMSD results used in :func:`GetMappedRMSD`.

:param c1: chain name for :attr:`ent_1`.
:param c2: chain name for :attr:`ent_2`.

Definition at line 2543 of file qsscoring.py.

Field Documentation

ent_1

Definition at line 2525 of file qsscoring.py.

ent_2

Definition at line 2526 of file qsscoring.py.

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The documentation for this class was generated from the following file:

• stage/lib64/python2.7/site-packages/ost/mol/alg/qsscoring.py