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adduct_util.cc File Reference
#include <core/chemical/adduct_util.hh>
#include <core/chemical/Patch.hh>
#include <numeric/conversions.hh>
#include <basic/Tracer.hh>
#include <core/chemical/VariantType.hh>
#include <utility/vector1.hh>
#include <utility/options/StringVectorOption.hh>

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
 

Functions

static basic::Tracer TR ("core.chemical.adduct_util")
 
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 (std::map< std::string, int > const &add_map, ResidueTypeCOPs const &rsd_types)
 Make sure any adducts requested actually exist. 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

Function Documentation

static basic::Tracer TR ( "core.chemical.adduct_util"  )
static