This PR is for writing the export_dataset function.
This function will support the following output formats (in progress):
[ ] HDF5
[ ] Extended XYZ
Note that regardless of the export format, it will also support exporting generic text files in order to account for the possibility of attached property settings files.
Summary of important decisions:
Starting with HDF5 since that's the format that I want to use for my own work
When exporting COs, only saving contents of unique_identifier_kw, labels, names, and relationships -- ignoring any aggregated information.
Problems to address:
[ ] HDF5 can be slow when creating thousands of groups/datasets. Parallelization would be possible by having each thread create a separate HDF5 file, then to create a master file with links to the sub-files.
This PR is for writing the
export_datasetfunction.This function will support the following output formats (in progress):
Note that regardless of the export format, it will also support exporting generic text files in order to account for the possibility of attached property settings files.
Summary of important decisions:
unique_identifier_kw,labels,names, andrelationships-- ignoring any aggregated information.Problems to address: