Rosetta 3.5
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Pages
Namespaces | Constant Groups | Typedefs | Functions
adduct_util.hh File Reference
#include <core/chemical/ResidueType.fwd.hh>
#include <utility/options/StringVectorOption.fwd.hh>
#include <map>

Namespaces

 core
 A class for defining atom parameters, known as atom_types.
 
 core::chemical
 

Constant Groups

 core
 A class for defining atom parameters, known as atom_types.
 
 core::chemical
 

Typedefs

typedef std::map< std::string,
int
core::chemical::AdductMap
 

Functions

std::map< std::string, intcore::chemical::parse_adduct_string (utility::options::StringVectorOption &add_vec)
 Convert input string to map of adducts->max usage. More...
 
void core::chemical::error_check_requested_adducts (AdductMap const &add_map, ResidueTypeCOPs const &rsd_types)
 Make sure requested adducts exist in some residue. More...
 
ResidueTypeOP core::chemical::apply_adducts_to_residue (ResidueType const &rsd, utility::vector1< bool > &add_mask)
 Apply adducts to residue using a boolean mask. More...
 

Detailed Description

Author
Jim Havranek