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

#include <Patch.hh>

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...

ResidueSelector &	selector ()
	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_.