Fills the particle vector from various sources, e.g., files or JSON array. More...

#include <molecule.h>

Public Member Functions
	MoleculeStructureReader (bool read_charges=true)

void	readFile (ParticleVector &particles, const std::string &filename) const
	reads atom types, positions and optionally charges from a file

void	readJson (ParticleVector &particles, const json &j) const
	a director determining the executive method based on JSON content

Static Protected Member Functions
static void	readArray (ParticleVector &particles, const json &j_particles)
	reads array with atom types and positions

static void	readFasta (ParticleVector &particles, const json &j)
	reads a FASTA sequence with harmonic bond parameters

Detailed Description

Fills the particle vector from various sources, e.g., files or JSON array.

The documentation for this class was generated from the following files:

Public Member Functions