_CachedRMSD Class Reference

Public Member Functions
	__init__ (self, ent_1, ent_2)
	GetChainView1 (self, cname)
	GetChainView2 (self, cname)
	GetSuperposition (self, c1, c2)
	GetMappedRMSD (self, chain_mapping, transformation)

Data Fields
	ent_1
	ent_2

Protected Attributes
	_chain_views_1
	_chain_views_2
	_pair_rmsd

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 2550 of file qsscoring.py.

Constructor & Destructor Documentation

__init__()

__init__	(		self,
			ent_1,
			ent_2
	)

Definition at line 2558 of file qsscoring.py.

Member Function Documentation

GetChainView1()

GetChainView1	(		self,
			cname
	)

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

Definition at line 2566 of file qsscoring.py.

GetChainView2()

GetChainView2	(		self,
			cname
	)

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

Definition at line 2572 of file qsscoring.py.

GetMappedRMSD()

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 2594 of file qsscoring.py.

GetSuperposition()

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 2578 of file qsscoring.py.

Field Documentation

_chain_views_1

_chain_views_1

protected

Definition at line 2562 of file qsscoring.py.

_chain_views_2

_chain_views_2

protected

Definition at line 2563 of file qsscoring.py.

_pair_rmsd

_pair_rmsd

protected

Definition at line 2564 of file qsscoring.py.

ent_1

ent_1

Definition at line 2560 of file qsscoring.py.

ent_2

ent_2

Definition at line 2561 of file qsscoring.py.

---

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

• build-dev/stage/lib/python3.11/site-packages/ost/mol/alg/qsscoring.py