watts.PluginABCE#

class watts.PluginABCE(template_file, executable='run.py', extra_inputs=None, extra_template_inputs=None, show_stdout=False, show_stderr=False)[source]#

Plugin for running ABCE

Parameters:

  • template_file (str) – Templated ABCE input

  • executable (Union[str, bytes, PathLike]) – Path to ABCE run.py script

  • extra_inputs (Optional[List[str]]) – List of extra (non-templated) input files that are needed

  • extra_template_inputs (Optional[List[Union[str, bytes, PathLike]]]) – Extra templated input files

  • show_stdout (bool) – Whether to display output from stdout when ABCE is run

  • show_stderr (bool) – Whether to display output from stderr when ABCE is run

executable#

Path to ABCE executable

execute_command#

List of command-line arguments used to call the executable

Methods