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protocols::toolbox::match_enzdes_util::InvrotTreeNodeBase Class Referenceabstract

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:
Inheritance graph
[legend]

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 (core::Size location)
 
core::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_
 
core::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
InvrotTreeNodeBaseOP protocols::toolbox::match_enzdes_util::InvrotTreeNodeBase::get_self_ptr ( )
inline
InvrotTreeNodeBaseCAP protocols::toolbox::match_enzdes_util::InvrotTreeNodeBase::get_self_weak_ptr ( ) const
inline
InvrotTreeNodeBaseAP protocols::toolbox::match_enzdes_util::InvrotTreeNodeBase::get_self_weak_ptr ( )
inline
core::Size protocols::toolbox::match_enzdes_util::InvrotTreeNodeBase::location_in_parent_node ( ) const
inline
InvrotTreeNodeBaseCAP protocols::toolbox::match_enzdes_util::InvrotTreeNodeBase::parent_node ( ) const
inline
void protocols::toolbox::match_enzdes_util::InvrotTreeNodeBase::set_location_in_parent_node ( core::Size  location)
inline

Member Data Documentation

core::Size protocols::toolbox::match_enzdes_util::InvrotTreeNodeBase::location_in_parent_node_
private
InvrotTreeNodeBaseCAP protocols::toolbox::match_enzdes_util::InvrotTreeNodeBase::parent_node_
private

Referenced by parent_node().


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