AveFileReader¶

class pylimer_tools_cpp.AveFileReader(self: pylimer_tools_cpp.AveFileReader, file_path: str)¶

Bases: pybind11_object

Alternative implementation of the data file reader implemented in pylimer_tools.read_lammps_output_file.read_averages_file().

This implementation is better for certain use cases, worse for others. In the end, only performance and memory usage are different. For moderately sized and small files, we recommend to use the Python interface instead.

Initialize the AveFileReader with a file path.

Parameters:: file_path – Path to the averages file to read

Methods Summary

`autocorrelate_column`(self, column_index, ...)	Do autocorrelation on one particular column for a specified set of delta indices.
`autocorrelate_column_difference`(self, ...)	Do autocorrelation on the difference between two particular columns for a specified set of delta indices.
`get_column_names`(self)	Get the names of all columns in the file.
`get_data`(self)	Get all data from the file.
`get_nr_of_columns`(self)	Get the number of columns in the file.
`get_nr_of_rows`(self)	Get the number of data rows in the file.

Methods Documentation

autocorrelate_column(self: pylimer_tools_cpp.AveFileReader, column_index: int, delta_indices: list[int]) → list[float]¶

Do autocorrelation on one particular column for a specified set of delta indices.

Assumes the data is equally spaced.

Parameters:

column_index – Index of the column to autocorrelate
delta_indices – List of delta indices for the autocorrelation

Returns:

Autocorrelation values for the specified deltas

autocorrelate_column_difference(self: pylimer_tools_cpp.AveFileReader, column_index1: int, column_index2: int, delta_indices: list[int]) → list[float]¶