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marrink-lab / vermouth-martinize

Describe and apply transformation on molecular structures and topologies
Apache License 2.0
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do not sort when Go #520

Closed fgrunewald closed 1 year ago

fgrunewald commented 1 year ago

Do not sort atoms when a Go model is requested. This is for sure a quick patch but seeing that the Go model makes pretty strict assumptions about what order beads and Go sites can be in, I think it will be not too much of a problem.

fgrunewald commented 1 year ago

@pckroon I think because we now have 8.999 on pylint and somehow the added code brings it down. Note exactly sure why though. to me the added lines are lint conform