def default_parameters(cls): result = Parameters() result.filter_atom1 = Expression() result.filter_bond12 = Expression() result.filter_atom2 = Expression() result.filter_bond23 = Expression() result.filter_atom3 = Expression() result.filter_bond34 = Expression() result.filter_atom4 = Expression() return result
def fn(): context.application.model.file_open("test/input/precursor.zml") context.application.main.select_nodes([context.application.model.universe]) parameters = Parameters() parameters.filter_atom1 = Expression() parameters.filter_bond12 = Expression() parameters.filter_atom2 = Expression() parameters.filter_bond23 = Expression() parameters.filter_atom3 = Expression() parameters.filter_bond34 = Expression() parameters.filter_atom4 = Expression() DistributionDihedralAngles = context.application.plugins.get_action("DistributionDihedralAngles") assert DistributionDihedralAngles.analyze_selection(parameters) DistributionDihedralAngles(parameters)
def fn(): context.application.model.file_open("test/input/precursor.zml") context.application.main.select_nodes( [context.application.model.universe]) parameters = Parameters() parameters.filter_atom1 = Expression() parameters.filter_bond12 = Expression() parameters.filter_atom2 = Expression() parameters.filter_bond23 = Expression() parameters.filter_atom3 = Expression() parameters.filter_bond34 = Expression() parameters.filter_atom4 = Expression() DistributionDihedralAngles = context.application.plugins.get_action( "DistributionDihedralAngles") assert DistributionDihedralAngles.analyze_selection(parameters) DistributionDihedralAngles(parameters)