tesliper.extraction

Classes for reading and parsing files.

Abstract Base Class for parsers, as well as concrete parser implementations are defined in this subpackage. It also contains a Soxhlet class that is designed to orchestrate batch data extraction.

Modules

tesliper.extraction.gaussian_parser

Paser for Gaussian output files.

tesliper.extraction.parameters_parser

Parser for reading spectra calculation parameters from file.

tesliper.extraction.parser_base

This module contains a definition of Abstract Base Class for file parsers.

tesliper.extraction.soxhlet

A tool for batch parsing files from specified directory.

tesliper.extraction.spectra_parser

Parser for spectra files.