IMP_SWIG_VALUE(IMP::restrainer, SimpleConnectivity, SimpleConnectivities); IMP_SWIG_VALUE(IMP::restrainer, SimpleDistance, SimpleDistances); IMP_SWIG_VALUE(IMP::restrainer, SimpleDiameter, SimpleDiameters); IMP_SWIG_VALUE(IMP::restrainer, SimpleExcludedVolume, SimpleExcludedVolumes); IMP_SWIG_VALUE(IMP::restrainer, SimpleEMFit, SimpleEMFits); %pythoncode %{ import _representation import _restraint import _xml_parser import _display import _optimization import _main class Representation(_representation.Representation): """Store Representation.""" def __init__(self): _representation.Representation.__init__(self) def get_imp_hierarchy_by_id(self, id): """Return an IMP::atom::Hierarchy by particle id. @param id Particle id. @return An IMP::atom::Hierarchy hierarchy.""" return _representation.Representation.get_imp_hierarchy_by_id(self,id) def get_root_imp_hierarchy(self): """Return the root of the IMP::atom::Hierarchy""" return _representation.Representation.get_root_imp_hierarchy(self) def find_all_by_id(self, id): # assuming there are many obj with the same id """Return a list of all nodes that have the id given by the parameter""" return _representation.Representation.gind_all_by_id(self, id) def find_by_id(self, id): # assuming there is just one obj with the same id """Return a node that have the id given by the parameter""" return _representation.Representation.find_by_id(self,id) def get_model(self, model=None): """Return an IMP::Model that contains the representation""" return _representation.Representation.get_model(self, model) class Restraint(_restraint.Restraint): """Store Restraint""" def __init__(self): """""" _restraint.Restraint.__init__(self) def add_to_representation(self, repr): """ Place restraint into IMP Model.""" return _restraint.Restraint.add_to_representation(self, repr) def show_all_restraints(self): """Show restraint name, initial weight, and score for the current state of the model""" return _restraint.Restraint.show_all_restraints(self) def get_all_restraints_by_name(self, name): """Assuming there are many restraint objects with the same name. @param[in] name The name to search for""" return _restraint.Restraint.get_all_restraints_by_name(self,name) def get_restraint_by_name(self, name): """Assuming there is just one restraint object with the same name.""" return restraint.Restraint.get_restraint_by_name(self,name) def get_rigid_body_by_id(self, id): """Get rigid body by particle id.""" return _restraint.Restraint.get_rigid_body_by_id(self,id) def get_all_rigid_bodies(self): """Get all rigid bodies.""" return _restraint.Restraint.get_all_rigid_bodies(self) class XMLRepresentation(_xml_parser.XMLRepresentation): """Construct Representation from XML file""" def __init__(self, filename): _xml_parser.XMLRepresentation.__init__(self, filename) def run(self): """Return IMP.restrainer.Representation object such that each node in the representation corresponds to the node in the XML nodes""" return _xml_parser.XMLRepresentation.run(self) class XMLDisplay(_xml_parser.XMLDisplay): """Construct Display from XML file""" def __init__(self, filename): _xml_parser.XMLDisplay.__init__(self, filename) def run(self): """Return display object such that each node in the display corresponds to the node in the XML nodes""" return _xml_parser.XMLDisplay.run(self) class XMLRestraint(_xml_parser.XMLRestraint): """Construct Restraint from XML file""" def __init__(self, filename): """ @param[in] filename the name of the file to read """ _xml_parser.XMLRestraint.__init__(self, filename) def run(self): """Return Restraint object such that each node in the restraint corresponds to the node in the XML nodes""" return _xml_parser.XMLRestraint.run(self) class XMLOptimization(_xml_parser.XMLOptimization): def __init__(self, filename): _xml_parser.XMLOptimization.__init__(self, filename) def run(self): return _xml_parser.XMLOptimization.run(self) class Display(_display.Display): """A class to display the configuration""" def __init__(self): _display.Display.__init__(self) def create_log(self, repr, log_name): """Create Chimera log. @param repr Representation object. @param log_name Log name @return IMP::dispay::WriteOptimizerState""" return _display.Display.create_log(self, repr, log_name) class Main(_main.Main): def __init__(self): _main.Main.__init__(self) def add_representation(self, fname): return _main.Main.add_representation(self, fname) def add_restraint(self, fname): return _main.Main.add_restraint(self, fname) def add_optimization(self, fname): return _main.Main.add_optimization(self, fname) def add_display(self, fname, logname=None): return _main.Main.add_display(self, fname, logname) def optimize(self): _main.Main.optimize(self) def get_model(self): return _main.Main.get_model(self) %} %include "IMP/restrainer/simplify_restraint.h"