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ResidueTypeSelector.hh File Reference
#include <core/chemical/ResidueTypeSelector.fwd.hh>
#include <core/chemical/ResidueTypeBase.hh>
#include <core/chemical/carbohydrates/CarbohydrateInfo.hh>
#include <core/chemical/ResidueProperties.hh>
#include <utility/vector1.hh>

Classes

class  core::chemical::ResidueTypeSelectorSingle
 A base class for defining a ResidueTypeSelector by a single criterion. More...
 
class  core::chemical::Selector_AA
 Does the residue belong to ANY of these AAs? More...
 
class  core::chemical::Selector_CMDFLAG
 Is a certain string in the command-line option -chemical:allow_patch present ? this selector does actually not depend on the residuetype it is queried for. More...
 
class  core::chemical::Selector_BASENAME
 Does the residue have to ANY of these basenames? More...
 
class  core::chemical::Selector_NAME3
 Does the residue have ANY of these three-letter codes? More...
 
class  core::chemical::Selector_HAS_ATOMS
 Does the residue have ALL of the listed atoms?: More...
 
class  core::chemical::Selector_PROPERTY
 Does the residue have ANY of these properties? More...
 
class  core::chemical::Selector_VARIANT_TYPE
 Does the residue have ANY of variant types? More...
 
class  core::chemical::Selector_UPPER_ATOM
 Does the main chain of this residue follow from the given position label? More...
 
class  core::chemical::Selector_MATCH_VARIANTS
 Does the residue have ALL of the variant types and no more. More...
 
class  core::chemical::Selector_NO_VARIANTS
 Does the residue have NO variant types? More...
 
class  core::chemical::Selector_NAME1
 Does the residue belong to ANY of these one-letter codes? More...
 
class  core::chemical::ResidueTypeSelector
 A class picking out a subset of ResidueType by multiple criteria. More...
 

Namespaces

 core
 A class for reading in the atom type properties.
 
 core::chemical
 

Functions

ResidueTypeSelectorSingleOP core::chemical::residue_selector_single_from_line (std::string const &line)
 create a singe ResidueTypeSelector from an input line. More...
 

Detailed Description

Author
Phil Bradley
The ResidueTypeSelector is an object the picks out a subset of ResidueTypes, via a
bool operator[](ResidueTypeBase const &) method.  It is implemented as a logical AND of individual constraints,
each of which typically has an OR structure.  The system allows NOT at the beginning.

AA aa1 aa2 aa3
VARIANT_TYPE type1 type2 type3
PROPERTY property1 property2

So, e.g., the lines

PROPERTY PROTEIN
AA PRO GLY
NAME3 HPR
NOT VARIANT_TYPE PHOSPHO TERMINUS

would define a selector that matched residues with property PROTEIN, with aa types
pro or gly, with a three-letter code of HPR and not of variant type PHOSPHO or TERMINUS

The individual constraints that make up the ResidueTypeSelector object are subclasses of
ResidueTypeSelectorSingle; ResidueTypeSelector has a vector1 of ResidueTypeSelectorSingleOP's
Note
This is NOT a ResidueSelector! This file predates ResidueSelectors.