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core::chemical::PatchCase Class Reference

A single case of a patch, eg proline Nterminus is a case of NtermProteinFull. More...

#include <Patch.hh>

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Public Member Functions

virtual ~PatchCase ()
 Automatically generated virtual destructor for class deriving directly from ReferenceCount. More...
 
bool applies_to (ResidueType const &rsd) const
 whether the PatchCase is applicable to this ResidueType? More...
 
virtual ResidueTypeOP apply (ResidueType const &rsd_in) const
 returns patched residue, 0 if patch failed More...
 
void add_operation (PatchOperationOP operation)
 add one more operation in this PatchCase More...
 
ResidueSelectorselector ()
 to which ResidueTypes this PatchCase applies to? More...
 

Private Attributes

ResidueSelector selector_
 to which ResidueTypes this PatchCase applies to? More...
 
utility::vector1
< PatchOperationOP
operations_
 operations to done in this PatchCase More...
 

Detailed Description

A single case of a patch, eg proline Nterminus is a case of NtermProteinFull.

Constructor & Destructor Documentation

core::chemical::PatchCase::~PatchCase ( )
virtual

Automatically generated virtual destructor for class deriving directly from ReferenceCount.

Auto-generated virtual destructor

Member Function Documentation

void core::chemical::PatchCase::add_operation ( PatchOperationOP  operation)
inline

add one more operation in this PatchCase

References operations_.

Referenced by core::chemical::apply_adducts_to_residue().

bool core::chemical::PatchCase::applies_to ( ResidueType const &  rsd) const
inline

whether the PatchCase is applicable to this ResidueType?

References selector_.

ResidueTypeOP core::chemical::PatchCase::apply ( ResidueType const &  rsd_in) const
virtual

returns patched residue, 0 if patch failed

First clone the base ResidueType. Then patching for this case is done by applying all the operations. Finally call finalize() to update all primary and derived data for the new ResidueType

References core::chemical::ResidueType::clone(), and operations_.

Referenced by core::chemical::apply_adducts_to_residue().

ResidueSelector& core::chemical::PatchCase::selector ( )
inline

to which ResidueTypes this PatchCase applies to?

References selector_.

Member Data Documentation

utility::vector1< PatchOperationOP > core::chemical::PatchCase::operations_
private

operations to done in this PatchCase

Referenced by add_operation(), and apply().

ResidueSelector core::chemical::PatchCase::selector_
private

to which ResidueTypes this PatchCase applies to?

Referenced by applies_to(), and selector().


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