Rosetta 3.4
Public Member Functions
protocols::ligand_docking::ResidueTorsionRestraints Class Reference

Manages harmonic restraints on torsions, so they can be turned off for packing. More...

#include <ResidueTorsionRestraints.hh>

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List of all members.

Public Member Functions

 ResidueTorsionRestraints (core::pose::Pose &pose, core::Size resid, core::Real stddev_degrees)
 Establishes initial constraints set -- constraints start off enabled.
virtual ~ResidueTorsionRestraints ()
virtual void enable (core::pose::Pose &pose)
 Constrain residue torsions for specified pose.
virtual void disable (core::pose::Pose &pose)
 Remove residue torsions constraints added by this object (if any).
bool operator== (const ResidueTorsionRestraints &other)

Detailed Description

Manages harmonic restraints on torsions, so they can be turned off for packing.

Restraints are created when object is created, so they start off enabled. I had to change from a PoseOP in the constructor to Pose references in enable/disable because Movers only get Pose references, not PoseOPs. Do not try to use one of these with multiple different poses, or surely the C++ gods will smite thee.


Constructor & Destructor Documentation

protocols::ligand_docking::ResidueTorsionRestraints::ResidueTorsionRestraints ( core::pose::Pose pose,
core::Size  resid,
core::Real  stddev_degrees 
)

Establishes initial constraints set -- constraints start off enabled.

References enable().

virtual protocols::ligand_docking::ResidueTorsionRestraints::~ResidueTorsionRestraints ( ) [inline, virtual]

Member Function Documentation

void protocols::ligand_docking::ResidueTorsionRestraints::disable ( core::pose::Pose pose) [virtual]

Remove residue torsions constraints added by this object (if any).

References core::conformation::Residue::chi(), core::pose::Pose::constraint_set(), and core::pose::Pose::residue().

void protocols::ligand_docking::ResidueTorsionRestraints::enable ( core::pose::Pose pose) [virtual]

Constrain residue torsions for specified pose.

References core::conformation::Residue::chi(), core::pose::Pose::constraint_set(), and core::pose::Pose::residue().

Referenced by ResidueTorsionRestraints().

bool protocols::ligand_docking::ResidueTorsionRestraints::operator== ( const ResidueTorsionRestraints other)

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