def default_parameters(cls): result = Parameters() result.number1 = 6 result.number2 = 6 result.distance = 0.5 result.bond_type = BOND_SINGLE return result
def fn(): context.application.model.file_open("test/input/lau.zml") context.application.main.select_nodes([context.application.model.universe]) parameters = Parameters() parameters.number1 = 14 parameters.number2 = 14 parameters.distance = 6.0 parameters.bond_type = BOND_SINGLE AutoConnectParameters = context.application.plugins.get_action("AutoConnectParameters") assert AutoConnectParameters.analyze_selection(parameters) AutoConnectParameters(parameters)
def fn(): context.application.model.file_open("test/input/lau.zml") context.application.main.select_nodes( [context.application.model.universe]) parameters = Parameters() parameters.number1 = 14 parameters.number2 = 14 parameters.distance = 6.0 parameters.bond_type = BOND_SINGLE AutoConnectParameters = context.application.plugins.get_action( "AutoConnectParameters") assert AutoConnectParameters.analyze_selection(parameters) AutoConnectParameters(parameters)
def fn(): context.application.model.file_open("test/input/tpa.zml") universe = context.application.model.universe context.application.main.select_nodes([universe] + universe.children) parameters = Parameters() parameters.number1 = 6 parameters.number2 = 6 parameters.distance = 3.0 parameters.bond_type = BOND_SINGLE AutoConnectParameters = context.application.plugins.get_action("AutoConnectParameters") assert AutoConnectParameters.analyze_selection(parameters) AutoConnectParameters(parameters) Bond = context.application.plugins.get_node("Bond") num_bonds = sum(isinstance(node,Bond) for node in universe.children) assert num_bonds == 2*4
def fn(): context.application.model.file_open("test/input/tpa.zml") universe = context.application.model.universe context.application.main.select_nodes([universe] + universe.children) parameters = Parameters() parameters.number1 = 6 parameters.number2 = 6 parameters.distance = 3.0 parameters.bond_type = BOND_SINGLE AutoConnectParameters = context.application.plugins.get_action( "AutoConnectParameters") assert AutoConnectParameters.analyze_selection(parameters) AutoConnectParameters(parameters) Bond = context.application.plugins.get_node("Bond") num_bonds = sum(isinstance(node, Bond) for node in universe.children) assert num_bonds == 2 * 4