Atom::Impl Struct Reference

#include <indigox/classes/molecule_impl.hpp>

Collaboration diagram for Atom::Impl:

Public Member Functions
	Impl ()=default
	Impl (const Molecule &mol, const Element &elem, double x, double y, double z, std::string n)
template<typename Archive >
void	serialise (Archive &archive, const uint32_t)

Public Attributes
Atom::AtomAngles	angles
Atom::AtomBonds	bonds
int32_t	charge_group_id
Atom::AtomDihedrals	dihedrals
Element	element
FFAtom	forcefield_type
int32_t	formal_charge
int32_t	implicit_hydrogens
Molecule	molecule
std::string	name
double	partial_charge
Eigen::Vector3d	position
int32_t	residue_id
std::string	residue_name
Stereo	stereochemistry
int64_t	tag
int64_t	unique_id

Constructor & Destructor Documentation

Impl() [1/2]

Impl ( )

default

Impl() [2/2]

Impl	(	const Molecule &	mol,
		const Element &	elem,
		double	x,
		double	y,
		double	z,
		std::string	n
	)

Member Function Documentation

serialise()

void serialise	(	Archive &	archive,
		const uint32_t
	)

Member Data Documentation

angles

Atom::AtomAngles angles

bonds

Atom::AtomBonds bonds

charge_group_id

int32_t charge_group_id

dihedrals

Atom::AtomDihedrals dihedrals

element

Element element

forcefield_type

FFAtom forcefield_type

formal_charge

int32_t formal_charge

implicit_hydrogens

int32_t implicit_hydrogens

molecule

Molecule molecule

name

std::string name

partial_charge

double partial_charge

position

Eigen::Vector3d position

residue_id

int32_t residue_id

residue_name

std::string residue_name

stereochemistry

Stereo stereochemistry

tag

int64_t tag

unique_id

int64_t unique_id

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The documentation for this struct was generated from the following file:

• include/indigox/classes/molecule_impl.hpp