Molecule Struct Reference

Struct for molecule data. More...

#include <Molecule.h>

Public Attributes
std::vector< Atom >	atoms
float	max_radius
Bounding-Box
glm::vec3	max_pos
glm::vec3	min_pos

Detailed Description

Struct for molecule data.

Member Data Documentation

atoms

std::vector<Atom> Molecule::atoms

Vector of all atoms of the molecule

max_pos

glm::vec3 Molecule::max_pos

Bounding box for the molecule. All atoms are between min_pos and max_pos

max_radius

float Molecule::max_radius

Maximum of van der Waals radii of the atoms of the molecule.

min_pos

glm::vec3 Molecule::min_pos

Bounding box for the molecule. All atoms are between min_pos and max_pos

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

• Molecule/Molecule.h