aiida_quantumespresso.tools.cpinputparser
#
Utilities to parse Quantum ESPRESSO cp.x input files into AiiDA nodes or builders.
Module Contents#
Classes#
Parser of Quantum ESPRESSO cp.x input file into AiiDA nodes. |
- class aiida_quantumespresso.tools.cpinputparser.CpInputFile(content, *, qe_version=None, validate_species_names=True)[source]#
Bases:
aiida_quantumespresso.tools.base.StructureParseMixin
,qe_tools.parsers.CpInputFile
Parser of Quantum ESPRESSO cp.x input file into AiiDA nodes.
Note
This mixes in
StructureParseMixin
which adds the functionality to parse aStructureData
from the input file, instead of a plain dictionary returned byqe_tools.parsers.qeinputparser.get_structure_from_qeinput
. Note that one cannot directly add this functionality to a sub class of~qe_tools.parsers.qeinputparser.QeInputFile
and then subsequently sub class that here, because the~qe_tools.parsers.qeinputparser.CpInputFile
is also required and sub classing both leads to problems with the MRO.