Python AbstractParticle.get_conf Examples

Example #1

    def get_conf(self):
        """
        Get configuration in form of a dictionary. Another identically configured ParticleAtoms instance can be initialised by:

        .. code-block:: python

          conf = P0.get_conf()                 # P0: already existing ParticleAtoms instance
          P1 = condor.ParticleAtoms(**conf) # P1: new ParticleMolcule instance with the same configuration as P0  
        """
        conf = {}
        conf.update(AbstractParticle.get_conf())
        conf["atomic_numbers"] = self.get_atomic_numbers()
        conf["atomic_positions"] = self.get_atomic_positions()
        return conf

Example #2

    def get_conf(self):
        """
        Get configuration in form of a dictionary. Another identically configured ParticleAtoms instance can be initialised by:

        .. code-block:: python

          conf = P0.get_conf()                 # P0: already existing ParticleAtoms instance
          P1 = condor.ParticleAtoms(**conf) # P1: new ParticleMolcule instance with the same configuration as P0  
        """
        conf = {}
        conf.update(AbstractParticle.get_conf())
        conf["atomic_numbers"]   = self.get_atomic_numbers()
        conf["atomic_positions"] = self.get_atomic_positions()
        return conf