Io module

Contents

Namespaces

namespace io
Handles Input-Output Operations. This contains general functions for reading in and writing out files.

Functions

auto file_exists(const std::string& name) -> bool
auto tokenizer(std::string line) -> std::vector<std::string>
auto tokenizerDouble(std::string line) -> std::vector<double>
auto getTotalTimesteps(std::string filename, int* totalSteps) -> int
auto writeRDF(double* rdfArray, double binsize, int nbin, std::string filename = "rdf.dat") -> int

Function documentation

bool file_exists(const std::string& name)
#include <code/cpp/include/inputOutput.hpp>

Parameters
name in The name of the file

Function for checking if a file exists or not.

std::vector<std::string> tokenizer(std::string line)
#include <code/cpp/include/inputOutput.hpp>

Parameters
line in The string containing the line to be tokenized

Function for tokenizing line strings into words (strings) delimited by whitespace. This returns a vector with the words in it.

std::vector<double> tokenizerDouble(std::string line)
#include <code/cpp/include/inputOutput.hpp>

Parameters
line in The string containing the line to be tokenized

Function for tokenizing line strings into a vector of doubles.

int getTotalTimesteps(std::string filename, int* totalSteps)
#include <code/cpp/include/inputOutput.hpp>

Parameters
filename in The path of the LAMMPS trajectory file
totalSteps in Pointer to the total number of steps or frames in the trajectory
Returns an int value of 0 (successful file opening) or 1 (error)

Function for getting the total number of timesteps from a lammps trajectory. This also includes 'incomplete' frames, so it should be used with caution.

int writeRDF(double* rdfArray, double binsize, int nbin, std::string filename = "rdf.dat")
#include <code/cpp/include/inputOutput.hpp>

Parameters
rdfArray in The array containing the calculated $g(r)$
binsize in The bin-width or bin size of each bin, which is user-defined
nbin in The total number of bins in the $g(r)$ histogram
filename in (Optional argument) Specifies a user-defined file output name, which will be saved inside a directory called 'output' in the top-level directory of the code folder.
Returns an int value of 0 (success) or 1 (error)

Writes out a file containing the r and g(r) values