DumpFileReader

class pylimer_tools_cpp.DumpFileReader(self: pylimer_tools_cpp.DumpFileReader, path_of_file_to_read: str)

Bases: pybind11_object

A reader for LAMMPS’s dump files.

Initialize the dump file reader.

Parameters:

path_of_file_to_read – Path to the dump file to read

Methods Summary

get_length(self)	Get the number of sections (time-steps) in the file.
get_numeric_values_for_at(self, rowIndex, ...)	Get numeric values for the section at index, the main header headerKey and the column columnIndex.
get_string_values_for_at(self, rowIndex, ...)	Get string values for the section at index, the main header headerKey and the column columnIndex.
has_key(self, headerKey)	Check whether the first section has the header specified.
key_has_column(self, headerKey, columnName)	Check whether the header of the first section has the specified column.
key_has_directional_column(self, header_key)	Check whether the header of the first section has all the three columns {dir_prefix}{x|y|z}{dir_suffix}.
read(self)	Read the whole file.

Methods Documentation

get_length(self: pylimer_tools_cpp.DumpFileReader) → int

Get the number of sections (time-steps) in the file.

Returns:

Number of timesteps/sections in the dump file

get_numeric_values_for_at(self: pylimer_tools_cpp.DumpFileReader, rowIndex: int, headerKey: str, columnIndex: str) → list[float]

Get numeric values for the section at index, the main header headerKey and the column columnIndex.

Parameters:

• rowIndex – Index of the section/timestep to query

• headerKey – Name of the header section to query

• columnIndex – Index of the column within the header

Returns:

Vector of numeric values for the specified location

get_string_values_for_at(self: pylimer_tools_cpp.DumpFileReader, rowIndex: int, headerKey: str, columnIndex: str) → list[str]

Get string values for the section at index, the main header headerKey and the column columnIndex.

Parameters:

• rowIndex – Index of the section/timestep to query

• headerKey – Name of the header section to query

• columnIndex – Index of the column within the header

Returns:

Vector of string values for the specified location

has_key(self: pylimer_tools_cpp.DumpFileReader, headerKey: str) → bool

Check whether the first section has the header specified.

Parameters:

headerKey – Name of the header to check for

Returns:

True if the header exists in the first section

key_has_column(self: pylimer_tools_cpp.DumpFileReader, headerKey: str, columnName: str) → bool

Check whether the header of the first section has the specified column.

Parameters:

• headerKey – Name of the header section to check

• columnName – Name of the column to look for

Returns:

True if the column exists in the specified header

key_has_directional_column(self: pylimer_tools_cpp.DumpFileReader, header_key: str, dir_prefix: str = '', dir_suffix: str = '') → bool

Check whether the header of the first section has all the three columns {dir_prefix}{x|y|z}{dir_suffix}.

Parameters:

• header_key – Name of the header section to check

• dir_prefix – Prefix for the directional columns (default: “”)

• dir_suffix – Suffix for the directional columns (default: “”)

Returns:

True if all three directional columns (x, y, z) exist

read(self: pylimer_tools_cpp.DumpFileReader) → None

Read the whole file.