diff options
Diffstat (limited to 'Python/pywarpx/picmi.py')
| -rw-r--r-- | Python/pywarpx/picmi.py | 25 |
1 files changed, 22 insertions, 3 deletions
diff --git a/Python/pywarpx/picmi.py b/Python/pywarpx/picmi.py index 003ef523b..a0069ec8f 100644 --- a/Python/pywarpx/picmi.py +++ b/Python/pywarpx/picmi.py @@ -1,8 +1,10 @@ """Classes following the PICMI standard """ +import re import picmistandard import numpy as np import pywarpx +import periodictable codename = 'warpx' picmistandard.register_codename(codename) @@ -33,9 +35,26 @@ class Species(picmistandard.PICMI_Species): elif self.particle_type == 'anti-proton': if self.charge is None: self.charge = '-q_e' if self.mass is None: self.mass = 'm_p' - elif self.particle_type == 'H' and self.charge_state == 1: - if self.charge is None: self.charge = 'q_e' - if self.mass is None: self.mass = 'm_p' + else: + if self.charge is None and self.charge_state is not None: + self.charge = self.charge_state*constants.q_e + # Match a string of the format '#nXx', with the '#n' optional isotope number. + m = re.match('(?P<iso>#[\d+])*(?P<sym>[A-Za-z]+)', self.particle_type) + if m is not None: + element = periodictable.elements.symbol(m['sym']) + if m['iso'] is not None: + element = element[m['iso'][1:]] + if self.charge_state is not None: + assert self.charge_state <= element.number, Exception('%s charge state not valid'%self.particle_type) + try: + element = element.ion[self.charge_state] + except ValueError: + # Note that not all valid charge states are defined in elements, + # so this value error can be ignored. + pass + self.element = element + if self.mass is None: + self.mass = element.mass*periodictable.constants.atomic_mass_constant def initialize_inputs(self, layout): self.species_number = pywarpx.particles.nspecies |