added size attribute to species class

This commit is contained in:
Dave Goodwin 2005-12-19 06:10:17 +00:00
parent 9a67ae84c4
commit 55e98c86f5

View file

@ -423,7 +423,8 @@ class species:
note = '',
thermo = None,
transport = None,
charge = -999):
charge = -999,
size = 1.0):
self._name = name
self._atoms = getAtomicComp(atoms)
@ -444,7 +445,7 @@ class species:
raise CTI_Error('specified charge inconsistent with number of electrons')
else:
self._charge = chrg
# self.type = SPECIES
self._size = size
global _species
global _enames
@ -488,6 +489,8 @@ class species:
s.addChild("note",self._comment)
if self._charge <> -999:
s.addChild("charge",self._charge)
if self._size <> 1.0:
s.addChild("size",self._size)
if self._thermo:
t = s.addChild("thermo")
if type(self._thermo) == types.InstanceType: