protocols::toolbox::match_enzdes_util::InvrotTreeNodeBase Class Reference

abstract base class for an inverse rotamer tree node. Exists so that the target node (InvrotTreeTarget) and the different geom cst nodes (InvrotTreeNode) have a common base class. This is necessary so that a node can point at its parent node in a tree without having to worry about whether that is a target or a regular node More...

#include <InvrotTreeNodeBase.hh>

Inheritance diagram for protocols::toolbox::match_enzdes_util::InvrotTreeNodeBase:

Public Member Functions
	InvrotTreeNodeBase (InvrotTreeNodeBaseCAP parent_node)
	~InvrotTreeNodeBase () override
InvrotTreeNodeBaseCOP	get_self_ptr () const
	self pointers More...
InvrotTreeNodeBaseOP	get_self_ptr ()
InvrotTreeNodeBaseCAP	get_self_weak_ptr () const
InvrotTreeNodeBaseAP	get_self_weak_ptr ()
InvrotTreeNodeBaseCAP	parent_node () const
void	set_location_in_parent_node (Size location)
Size	location_in_parent_node () const
virtual core::scoring::constraints::ConstraintCOP	generate_constraints (core::pose::Pose const &pose, AllowedSeqposForGeomCstCOP geomcst_seqpos) const =0
	nodes need to be able to generate constraints More...
virtual utility::vector1 < std::list < core::conformation::ResidueCOP > >	all_target_residues (InvrotTreeNodeBaseCAP child_node) const =0
	this function traverses up the tree and adds the target residue for every geomcst in the branch toward this node used for clash checking, i.e. in case where the interaction is lig<-geomcst1-<geomcst2-<geomcst3, we don't want geomcst2 rots that clash with the ligand, and we don't wand geomcst3 rots that clash with the ligand or geomcst1 res the child node argument usually represents the node that is asking for the target residues, i.e. the node that's calling this function More...
virtual void	collect_all_inverse_rotamers (utility::vector1< InvrotCollectorOP > &invrot_collectors) const =0
	convenience funtion to get all inverse rotamers in the tree puts all the inverse rotamers associated with this node into vector, and should call this function on daughter nodes uses std:vector because the targets will be put into 0th element needs vector of vector bc there can be different definitions of the tree More...

Private Attributes
InvrotTreeNodeBaseCAP	parent_node_
Size	location_in_parent_node_

Detailed Description

abstract base class for an inverse rotamer tree node. Exists so that the target node (InvrotTreeTarget) and the different geom cst nodes (InvrotTreeNode) have a common base class. This is necessary so that a node can point at its parent node in a tree without having to worry about whether that is a target or a regular node

Constructor & Destructor Documentation

protocols::toolbox::match_enzdes_util::InvrotTreeNodeBase::InvrotTreeNodeBase

(

InvrotTreeNodeBaseCAP

parent_node

)

protocols::toolbox::match_enzdes_util::InvrotTreeNodeBase::~InvrotTreeNodeBase ( )

overridedefault

Member Function Documentation

virtual utility::vector1< std::list< core::conformation::ResidueCOP > > protocols::toolbox::match_enzdes_util::InvrotTreeNodeBase::all_target_residues ( InvrotTreeNodeBaseCAP  child_node ) const

pure virtual

this function traverses up the tree and adds the target residue for every geomcst in the branch toward this node used for clash checking, i.e. in case where the interaction is lig<-geomcst1-<geomcst2-<geomcst3, we don't want geomcst2 rots that clash with the ligand, and we don't wand geomcst3 rots that clash with the ligand or geomcst1 res the child node argument usually represents the node that is asking for the target residues, i.e. the node that's calling this function

Implemented in protocols::toolbox::match_enzdes_util::InvrotTreeNode, and protocols::toolbox::match_enzdes_util::InvrotTarget.

virtual void protocols::toolbox::match_enzdes_util::InvrotTreeNodeBase::collect_all_inverse_rotamers ( utility::vector1< InvrotCollectorOP > &  invrot_collectors ) const

pure virtual

convenience funtion to get all inverse rotamers in the tree puts all the inverse rotamers associated with this node into vector, and should call this function on daughter nodes uses std:vector because the targets will be put into 0th element needs vector of vector bc there can be different definitions of the tree

Implemented in protocols::toolbox::match_enzdes_util::InvrotTreeNode, and protocols::toolbox::match_enzdes_util::InvrotTarget.

virtual core::scoring::constraints::ConstraintCOP protocols::toolbox::match_enzdes_util::InvrotTreeNodeBase::generate_constraints ( core::pose::Pose const &  pose, AllowedSeqposForGeomCstCOP  geomcst_seqpos  ) const

pure virtual

nodes need to be able to generate constraints

Implemented in protocols::toolbox::match_enzdes_util::InvrotTreeNode, and protocols::toolbox::match_enzdes_util::InvrotTarget.

InvrotTreeNodeBaseCOP protocols::toolbox::match_enzdes_util::InvrotTreeNodeBase::get_self_ptr ( ) const

inline

self pointers

Referenced by protocols::toolbox::match_enzdes_util::InvrotTarget::collect_all_inverse_rotamers(), and protocols::toolbox::match_enzdes_util::InvrotTreeNode::collect_all_inverse_rotamers().

InvrotTreeNodeBaseOP protocols::toolbox::match_enzdes_util::InvrotTreeNodeBase::get_self_ptr ( )

inline

InvrotTreeNodeBaseCAP protocols::toolbox::match_enzdes_util::InvrotTreeNodeBase::get_self_weak_ptr ( ) const

inline

Referenced by protocols::toolbox::match_enzdes_util::InvrotTreeNode::all_target_residues(), protocols::toolbox::match_enzdes_util::InvrotTreeNode::get_fixed_pt(), protocols::toolbox::match_enzdes_util::InvrotTreeNode::initialize_from_enzcst_io_and_invrots(), protocols::toolbox::match_enzdes_util::InvrotTarget::initialize_tree_nodes_from_enzcst_io(), and protocols::toolbox::match_enzdes_util::InvrotTreeNode::remove_invrots_clashing_with_parent_res().

InvrotTreeNodeBaseAP protocols::toolbox::match_enzdes_util::InvrotTreeNodeBase::get_self_weak_ptr ( )

inline

Size protocols::toolbox::match_enzdes_util::InvrotTreeNodeBase::location_in_parent_node ( ) const

inline

References location_in_parent_node_.

InvrotTreeNodeBaseCAP protocols::toolbox::match_enzdes_util::InvrotTreeNodeBase::parent_node ( ) const

inline

References parent_node_.

Referenced by protocols::toolbox::match_enzdes_util::InvrotTreeNode::all_target_residues(), protocols::toolbox::match_enzdes_util::InvrotTreeNode::get_fixed_pt(), and protocols::toolbox::match_enzdes_util::InvrotTreeNode::remove_invrots_clashing_with_parent_res().

void protocols::toolbox::match_enzdes_util::InvrotTreeNodeBase::set_location_in_parent_node ( Size  location )

inline

References location_in_parent_node_.

Member Data Documentation

Size protocols::toolbox::match_enzdes_util::InvrotTreeNodeBase::location_in_parent_node_

private

Referenced by location_in_parent_node(), and set_location_in_parent_node().

InvrotTreeNodeBaseCAP protocols::toolbox::match_enzdes_util::InvrotTreeNodeBase::parent_node_

private

Referenced by parent_node().

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

• src/protocols/toolbox/match_enzdes_util/InvrotTreeNodeBase.hh
• src/protocols/toolbox/match_enzdes_util/InvrotTreeNodeBase.cc