Data loss occurred while output if proper key tag was missing about pynmrstar HOT 2 CLOSED

Dear Masashi,

Thank you for bringing this to my attention.

In the newest versions of the 3.x branch, the Entry.write_to_file() (and Entry.format()) functions support these arguments:

• show_comments: Set to True/False to show/hide the comments before certain saveframes
• skip_empty_loops Set to True/False to omit/print loops that have no tag values for any tag at all.
• skip_empty_tags Set to True/False to omit/print tags without values

Due to an oversight, the library had a default value of True for skip_empty_tags for Entry.write_to_file() which is what caused the behavior you experienced. I changed the default value to False in 3.0.6 (just released) to address this. At the same time, you can get the desired behavior by setting skip_empty_tags=False in earlier 3.0.x releases without upgrading.

On the other hand, I cannot reproduce the error in the newest 2.x release, and that branch does not support the skip_empty_tags argument at all - all tags should always be printed. Can you provide the output file, and code to generate the output file from this input file that is omitting the tags on version 2.6.5.1?

Best,
Jon

from pynmrstar.

Dear Jon,

Thank you for your kind support.
Then, I found a bug in my application that did the unexpected data manipulation.
Sorry for bothering you with this. This tickect is to be closed.

BTW, I always use skip_empty_tags=False in case v3 for our requirement.

Best regards,

Masashi

from pynmrstar.