Python broadcast Examples

Example #1

File: dynamics.py Project: hainm/cctbx_project

 def dynamics(self, prefix):
     geometry_minimization.broadcast(m=prefix, log=self.log)
     self.sites_cart = self.xray_structure.sites_cart()
     if (self.params.dynamics_type == "cartesian"):
         run_cartesian_dynamics(xray_structure=self.xray_structure,
                                restraints_manager=self.grm,
                                states_collector=self.states_collector,
                                params=self.params.cartesian_dynamics,
                                stop_at_diff=self.params.stop_at_diff,
                                log=self.log)
     else:  # TODO
         raise NotImplementedError()
     self.sites_cart = self.xray_structure.sites_cart()

Example #2

File: dynamics.py Project: cctbx/cctbx-playground

 def dynamics (self, prefix) :
   geometry_minimization.broadcast(m=prefix, log = self.log)
   self.sites_cart = self.xray_structure.sites_cart()
   if (self.params.dynamics_type == "cartesian") :
     run_cartesian_dynamics(
       xray_structure=self.xray_structure,
       restraints_manager=self.grm,
       states_collector=self.states_collector,
       params=self.params.cartesian_dynamics,
       stop_at_diff=self.params.stop_at_diff,
       log=self.log)
   else : # TODO
     raise NotImplementedError()
   self.sites_cart = self.xray_structure.sites_cart()

Example #3

File: dynamics.py Project: cctbx/cctbx-playground

 def atom_selection (self, prefix) :
   self.selection = flex.bool(self.xray_structure.sites_cart().size(), True)
   geometry_minimization.broadcast(m=prefix, log = self.log)

Example #4

File: dynamics.py Project: yayahjb/cctbx_project

 def atom_selection(self, prefix):
     self.selection = flex.bool(
         self.model.get_xray_structure().sites_cart().size(), True)
     geometry_minimization.broadcast(m=prefix, log=self.log)