httk-io¶

This site documents specifically the httk-io module. For the full documentation of httk₂ as a whole, see docs.httk.org.

httk-io is a httk₂ module providing file input/output under the namespace httk.io, plus the handler package httk.handlers.io that registers its loaders with httk-core. It currently ships a CIF/mCIF parser, reader and writer stack and a string-preserving VASP POSCAR/CONTCAR reader.

Quick links

API reference: Reference
Reading POSCAR/CONTCAR files: Reading VASP POSCAR / CONTCAR files

Install¶

Preferably work in a Python virtual environment, then do:

git clone https://github.com/httk/httk-io
cd httk-io
python -m pip install -e .

Usage example¶

Importing httk.core discovers httk.handlers.io and registers the .cif loader, so httk.core.load can dispatch a CIF file to httk-io. The loader returns the raw parsed CIF data as a (data_blocks, header) tuple:

import httk.core  # discovery registers the ".cif" loader

data_blocks, header = httk.core.load("structure.cif")
name, block = data_blocks[0]
print(block["cell_length_a"])

Documentation