aiida_vasp.parsers.content_parsers.win

The .win parser interface.

Module Contents

Classes

BaseKeyValueParser	Common codebase for all parser utilities.
KeyValueParser
WinParser	Parses wannier90 input.

API

class aiida_vasp.parsers.content_parsers.win.BaseKeyValueParser

Common codebase for all parser utilities.

empty_line = 'compile(...)'

classmethod line(fobj_or_str, d_type=str)

Grab a line from a file object or string and convert it to d_type (default: str).

classmethod splitlines(fobj_or_str, d_type=float)

Split a chunk of text into a list of lines and convert each line to d_type (default: float).

class aiida_vasp.parsers.content_parsers.win.KeyValueParser

Bases: aiida_vasp.parsers.content_parsers.win.BaseKeyValueParser

This baseclass has some utility functions for parsing files that are (mostly) in a key = value format. This class does not integrate with the VaspParser class currently. A simple example, which tries to convert values to python objects on a best effort basis. Usage:

import re
from aiida_vasp.parsers.file_parsers.parser import KeyValueParser
ParamParser(KeyValueParser):
    def __init__(self, file_path):
        self._file_path = py.path.local(file_path)
        super().__init__()
        self.result = {}
    def convert_or_not(self, value):
        for converter in self.get_converter_iter():
            converted = self.try_convert(value, converter)
            if converted and 'value' in converted:
                return converted['value']
        return value
    def parse_file(self):
        assignments = re.findall(self.assignment, self._file_path.read())
        return {key: self.convert_or_not(value)}

Parses files like::

StrParam = value_1 FloatParam = 1.0 BoolParam = True

assignment = 'compile(...)'

bool_true = 'compile(...)'

bool_false = 'compile(...)'

comment = True

classmethod get_lines(filename)

classmethod retval(*args, **kwargs)

Normalize return values from value conversion functions.

classmethod flatten(lst)

classmethod find_kv(line)

classmethod float(string_)

Parse a string into an float value followed by a comment.

classmethod float_unit(string_)

Parse string into a float number with attached unit.

classmethod int(string_)

Parse a string into an integer value followed by a comment.

classmethod int_unit(string_)

Convert a string into a python value, associated unit and optional comment.

classmethod string(string_)

Parse a string into value and comment, assuming only the first word is the value.

classmethod bool(string_)

Parse string into a boolean value.

classmethod kv_list(filename)

classmethod kv_dict(kv_list)

classmethod clean_value(str_value)

Get the converted python value from a string.

classmethod get_converter_iter()

classmethod try_convert(input_value, converter)

Try to convert the input string into a python value given a conversion function.

class aiida_vasp.parsers.content_parsers.win.WinParser(path)

Bases: aiida_vasp.parsers.content_parsers.win.KeyValueParser

Parses wannier90 input.

Initialization

block = 'compile(...)'

comment = 'compile(...)'

classmethod parse_win(fobj_or_str)

Parse a wannier90 input.