Residue type class

template<>
struct std::hash<mdk::ResType>

#include <ResType.hpp>

A std::hash instantiation for ResType, allows us to use ResType as keys in STL maps.

Public Functions

inline size_t operator()(mdk::ResType const &resType) const

namespace mdk

Enums

enum ResTypeIdx

Underlying residue type index.

Values:

enumerator ALA

enumerator ARG

enumerator ASN

enumerator ASP

enumerator CYS

enumerator GLU

enumerator GLN

enumerator GLY

enumerator HIS

enumerator ILE

enumerator LEU

enumerator LYS

enumerator MET

enumerator PHE

enumerator PRO

enumerator SER

enumerator THR

enumerator TRP

enumerator TYR

enumerator VAL

class ResType

#include <ResType.hpp>

An object representing a residue type, along with a number of facilities, conversions from/to other types etc. At this moment, it is equivalent with the amino acids, but one may want to add other pseudo-atoms, sites, water molecules or groups etc. so we thought it wiser to separate the two.

Public Functions

ResType() = default

inline explicit constexpr ResType(ResTypeIdx code)

explicit operator ResTypeIdx const&() const

inline constexpr ResType(int8_t x)

operator int8_t() const

explicit ResType(std::string const &name)

explicit operator std::string() const

double mass() const

Private Members

ResTypeIdx code

Friends

friend struct std::hash< ResType >

namespace std

template<> ResType >

#include <ResType.hpp>

A std::hash instantiation for ResType, allows us to use ResType as keys in STL maps.

Public Functions

inline size_t operator()(mdk::ResType const &resType) const