core::pack::scmin::AtomTreeCollection Class Reference

A collection of ResidueAtomTreeCollection objects for an entire design task. More...

#include <AtomTreeCollection.hh>

Inheritance diagram for core::pack::scmin::AtomTreeCollection:

Collaboration diagram for core::pack::scmin::AtomTreeCollection:

Public Member Functions
	AtomTreeCollection (pose::Pose const &pose, rotamer_set::RotamerSets const &)
	construct a forest More...
	AtomTreeCollection (pose::Pose const &pose, task::PackerTask const &)
	construct a forest – only use when no RotamerSets is constructed More...
	AtomTreeCollection (pose::Pose const &pose, rotamer_set::RotamerSet const &rset, Size resid)
	construct a single ResidueAtomTreeCollection from an existing RotamerSet More...
	AtomTreeCollection (pose::Pose const &pose, task::ResidueLevelTask const &rltask, Size resid)
	construct a single ResidueAtomTreeCollection – only use when no RotamerSet is constructed More...
virtual	~AtomTreeCollection ()
ResidueAtomTreeCollection &	moltenres_atomtree_collection (Size moltenresid)
ResidueAtomTreeCollection &	residue_atomtree_collection (Size resid)
ResidueAtomTreeCollectionOP	residue_atomtree_collection_op (Size resid)

Private Attributes
utility::vector1< Size >	resid_2_moltenresid_
utility::vector1< Size >	moltenresid_2_resid_
utility::vector1 < ResidueAtomTreeCollectionOP >	res_collections_

Detailed Description

A collection of ResidueAtomTreeCollection objects for an entire design task.

Definition at line 187 of file AtomTreeCollection.hh.

Constructor & Destructor Documentation

core::pack::scmin::AtomTreeCollection::AtomTreeCollection	(	pose::Pose const &	pose,
		rotamer_set::RotamerSets const &	rsets
	)

construct a forest

Definition at line 352 of file AtomTreeCollection.cc.

References core::pack::rotamer_set::RotamerSets::moltenres_2_resid(), moltenresid_2_resid_, core::pack::rotamer_set::RotamerSets::nmoltenres(), res_collections_, resid_2_moltenresid_, and core::pack::rotamer_set::RotamerSets::rotamer_set_for_moltenresidue().

core::pack::scmin::AtomTreeCollection::AtomTreeCollection	(	pose::Pose const &	pose,
		task::PackerTask const &	task
	)

construct a forest – only use when no RotamerSets is constructed

Definition at line 372 of file AtomTreeCollection.cc.

References core::pack::task::PackerTask::being_packed(), core::pose::Pose::conformation(), moltenresid_2_resid_, res_collections_, resid_2_moltenresid_, core::pose::Pose::residue(), core::pack::task::PackerTask::residue_task(), and core::pose::Pose::total_residue().

core::pack::scmin::AtomTreeCollection::AtomTreeCollection	(	pose::Pose const &	pose,
		rotamer_set::RotamerSet const &	rset,
		Size	resid
	)

construct a single ResidueAtomTreeCollection from an existing RotamerSet

Definition at line 392 of file AtomTreeCollection.cc.

References res_collections_.

core::pack::scmin::AtomTreeCollection::AtomTreeCollection	(	pose::Pose const &	pose,
		task::ResidueLevelTask const &	rltask,
		Size	resid
	)

construct a single ResidueAtomTreeCollection – only use when no RotamerSet is constructed

Definition at line 402 of file AtomTreeCollection.cc.

References core::pose::Pose::conformation(), res_collections_, and core::pose::Pose::residue().

core::pack::scmin::AtomTreeCollection::~AtomTreeCollection ( )

virtual

Definition at line 412 of file AtomTreeCollection.cc.

Member Function Documentation

ResidueAtomTreeCollection & core::pack::scmin::AtomTreeCollection::moltenres_atomtree_collection

(

Size

moltenresid)

Definition at line 415 of file AtomTreeCollection.cc.

References res_collections_.

ResidueAtomTreeCollection & core::pack::scmin::AtomTreeCollection::residue_atomtree_collection

(

Size

resid)

Definition at line 421 of file AtomTreeCollection.cc.

References residue_atomtree_collection_op().

ResidueAtomTreeCollectionOP core::pack::scmin::AtomTreeCollection::residue_atomtree_collection_op

(

Size

resid)

Definition at line 427 of file AtomTreeCollection.cc.

References res_collections_, and resid_2_moltenresid_.

Referenced by residue_atomtree_collection().

Member Data Documentation

utility::vector1< Size > core::pack::scmin::AtomTreeCollection::moltenresid_2_resid_

private

Definition at line 228 of file AtomTreeCollection.hh.

Referenced by AtomTreeCollection().

utility::vector1< ResidueAtomTreeCollectionOP > core::pack::scmin::AtomTreeCollection::res_collections_

private

Definition at line 229 of file AtomTreeCollection.hh.

Referenced by AtomTreeCollection(), moltenres_atomtree_collection(), and residue_atomtree_collection_op().

utility::vector1< Size > core::pack::scmin::AtomTreeCollection::resid_2_moltenresid_

private

Definition at line 227 of file AtomTreeCollection.hh.

Referenced by AtomTreeCollection(), and residue_atomtree_collection_op().

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

• src/core/pack/scmin/AtomTreeCollection.hh
• src/core/pack/scmin/AtomTreeCollection.cc