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[ctml_writer] Clean up reaction.build

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This commit is contained in:
Ray Speth 2013-06-28 21:24:26 +00:00
parent dd41d8ac90
commit bd8d257c5e
1 changed files with 10 additions and 27 deletions
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37
interfaces/python/ctml_writer.py
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@ -50,10 +50,11 @@ indent = ['',
#-----------------------------------------------------
class XMLnode(object):
"""This is a minimal class to allow easy creation of an XML tree
from Python. It can write XML, but cannot read it."""
__slots__ = ('_name', '_value', '_attribs', '_children', '_childmap')
def __init__(self, name="--", value = ""):
"""Create a new node. Usually this only needs to be explicitly
@ -1104,28 +1105,17 @@ class reaction(object):
if self._id:
id = self._id
else:
if self._num < 10:
nstr = '000'+str(self._num)
elif self._num < 100:
nstr = '00'+str(self._num)
elif self._num < 1000:
nstr = '0'+str(self._num)
else:
nstr = str(self._num)
id = nstr
id = '%04i' % self._num
self.mdim = 0
self.ldim = 0
rstr = ''
rxnph = []
for s in self._r.keys():
for s in self._r:
ns = self._rxnorder[s]
nm = -999
nl = -999
rstr += s+':'+str(self._r[s])+' '
mindim = 4
for ph in _phases:
if ph.has_species(s):
@ -1153,20 +1143,17 @@ class reaction(object):
else:
r['reversible'] = 'no'
noptions = len(self._options)
for nss in range(noptions):
s = self._options[nss]
for s in self._options:
if s == 'duplicate':
r['duplicate'] = 'yes'
elif s == 'negative_A':
r['negative_A'] = 'yes'
ee = self._e.replace('<','[')
ee = ee.replace('>',']')
ee = self._e.replace('<','[').replace('>',']')
r.addChild('equation',ee)
if self._order:
for osp in self._rxnorder.keys():
for osp in self._rxnorder:
o = r.addChild('order',self._rxnorder[osp])
o['species'] = osp
@ -1233,14 +1220,10 @@ class reaction(object):
self.ldim -= 3
nm = 'k0'
rstr = rstr[:-1]
rstr = ' '.join('%s:%s' % item for item in self._r.items())
pstr = ' '.join('%s:%s' % item for item in self._p.items())
r.addChild('reactants',rstr)
pstr = ''
for s in self._p.keys():
ns = self._p[s]
pstr += s+':'+repr(ns)+' '
pstr = pstr[:-1]
r.addChild('products',pstr)
r.addChild('products', pstr)
return r
#-------------------