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 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)
