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Describe the bug
Currently the topology reader accepts any amount of topology directives.
Expected behavior
It should at least require defaults and atomtypes to be set otherwise the pre-processing fails.
Solution
Check topology after parsing in pre_process. Checking it in preprocess would allow to still manipulate incomplete topology files which is a desirable API.
The text was updated successfully, but these errors were encountered:
Describe the bug
Currently the topology reader accepts any amount of topology directives.
Expected behavior
It should at least require
defaults
andatomtypes
to be set otherwise the pre-processing fails.Solution
Check topology after parsing in pre_process. Checking it in preprocess would allow to still manipulate incomplete topology files which is a desirable API.
The text was updated successfully, but these errors were encountered: