Closed jbarnoud closed 7 years ago
Streamline the signature and the return values of insane.old_main
insane.old_main
This allows to do things like:
import insane import insane.cli options = insane.cli.OPTIONS._default_dict() options['out'] = 'memb.gro' options['distance'] = 10 options['upper'] = [('DOPC', 0, 1)] insane.old_main(options)
It also decouples the writing methods to be used from a python interpretor.
Streamline the signature and the return values of
insane.old_mainThis allows to do things like:
It also decouples the writing methods to be used from a python interpretor.