Closed mp-emrld closed 2 years ago
Giselle fixed that, needs testing
:) :) Do you have a commit id or pr for her fix?
Just tested the latest fix (branch xyz_dump) and it works for xyz files with a single header line like in
/Volumes/GoogleDrive/Shared drives/R_and_D/TestDatasets/LibaarhusXYZ/Exmaple1_oneHeaderLines
However, it stripes off the header when the original xyz file contains some header lines like in:
/Volumes/GoogleDrive/Shared drives/R_and_D/TestDatasets/LibaarhusXYZ/Exmaple2_multipleHeaderLines
see read_write_xyz.py
in the corresponding folders for how i tested this
This seems to work well for files with a single header line.
However, for xyz files with multiple header lines exported from workbench, one needs to be aware that the number of header lines might change for xyz-files with multiple dipole moments. For re-import into workbench, that needs to be reflected in the .ALC file.
Error message: "Number of columns in data file (149) is smaller than largest column specified in ALC file (151)
Example dataset : /Emerald Geomodelling/Developments - Documents/DeveloperWorkspaces/TestDatasets/LibaarhusXYZ
see read_write_EMdataAgave_xyz.py for details 20210930_AGAVE_Workbench_XYZ_2Hz.XYZ is the original file