ctml_writer accepts 'id' argument as lower case
This maintains compatibility with existing (<=1.8) input files, at the cost of being poor Python style since it overloads the built-in 'id' function.
This commit is contained in:
Ray Speth
parent
2523890b6d
commit
eb6c7659b8
1 changed files with 18 additions and 18 deletions
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@ -970,7 +970,7 @@ class reaction:
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def __init__(self,
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equation = '',
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kf = None,
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ID = '',
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id = '',
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order = '',
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options = []):
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"""
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@ -980,14 +980,14 @@ class reaction:
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The rate coefficient for the forward direction. If a sequence of
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three numbers is given, these will be interpreted as [A, n,E] in
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the modified Arrhenius function :math:`A T^n exp(-E/\hat{R}T)`.
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:param ID:
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:param id:
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An optional identification string. If omitted, it defaults to a
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four-digit numeric string beginning with 0001 for the first
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reaction in the file.
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:param options:
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Processing options, as described in Section ##REF##
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"""
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self._id = ID
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self._id = id
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self._e = equation
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self._order = order
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@ -1034,7 +1034,7 @@ class reaction:
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def build(self, p):
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if self._id:
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ID = self._id
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id = self._id
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else:
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if self._num < 10:
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nstr = '000'+str(self._num)
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@ -1044,7 +1044,7 @@ class reaction:
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nstr = '0'+str(self._num)
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else:
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nstr = str(self._num)
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ID = nstr
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id = nstr
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self.mdim = 0
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@ -1077,9 +1077,9 @@ class reaction:
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self.mdim += nm*ns
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self.ldim += nl*ns
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p.addComment(" reaction "+ID+" ")
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p.addComment(" reaction "+id+" ")
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r = p.addChild('reaction')
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r['id'] = ID
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r['id'] = id
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if self.rev:
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r['reversible'] = 'yes'
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else:
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@ -1186,7 +1186,7 @@ class three_body_reaction(reaction):
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equation = '',
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kf = None,
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efficiencies = '',
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ID = '',
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id = '',
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options = []
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):
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"""
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@ -1201,14 +1201,14 @@ class three_body_reaction(reaction):
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:param efficiencies:
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A string specifying the third-body collision efficiencies.
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The efficiencies for unspecified species are set to 1.0.
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:param ID:
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:param id:
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An optional identification string. If omitted, it defaults to a
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four-digit numeric string beginning with 0001 for the first
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reaction in the file.
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:param options:
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Processing options, as described in ##REF##.
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"""
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reaction.__init__(self, equation, kf, ID, '', options)
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reaction.__init__(self, equation, kf, id, '', options)
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self._type = 'threeBody'
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self._effm = 1.0
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self._eff = efficiencies
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@ -1237,7 +1237,7 @@ class three_body_reaction(reaction):
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class falloff_reaction(reaction):
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""" A gas-phase falloff reaction. """
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def __init__(self, equation, kf0, kf,
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efficiencies='', falloff=None, ID='', options=[]):
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efficiencies='', falloff=None, id='', options=[]):
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"""
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:param equation:
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A string specifying the chemical equation.
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@ -1255,7 +1255,7 @@ class falloff_reaction(reaction):
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:param falloff:
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An embedded entry specifying a falloff function. If omitted, a
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unity falloff function (Lindemann form) will be used.
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:param ID:
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:param id:
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An optional identification string. If omitted, it defaults to a
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four-digit numeric string beginning with 0001 for the first
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reaction in the file.
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@ -1263,7 +1263,7 @@ class falloff_reaction(reaction):
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Processing options, as described in ##REF##
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"""
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kf2 = (kf, kf0)
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reaction.__init__(self, equation, kf2, ID, '', options)
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reaction.__init__(self, equation, kf2, id, '', options)
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self._type = 'falloff'
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# use a Lindemann falloff function by default
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self._falloff = falloff
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@ -1374,7 +1374,7 @@ class surface_reaction(reaction):
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A heterogeneous chemical reaction with pressure-independent rate
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coefficient and mass-action kinetics.
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"""
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def __init__(self, equation='', kf=None, ID='', order='', options=[]):
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def __init__(self, equation='', kf=None, id='', order='', options=[]):
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"""
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:param equation:
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A string specifying the chemical equation.
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@ -1388,14 +1388,14 @@ class surface_reaction(reaction):
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it belongs to an ideal gas phase. If a sequence of three numbers is
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given, these will be interpreted as [A, n,E] in the modified
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Arrhenius function.
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:param ID:
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:param id:
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An optional identification string. If omitted, it defaults to a
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four-digit numeric string beginning with 0001 for the first
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reaction in the file.
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:param options:
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Processing options, as described in ##REF##
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"""
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reaction.__init__(self, equation, kf, ID, order, options)
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reaction.__init__(self, equation, kf, id, order, options)
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self._type = 'surface'
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@ -1404,11 +1404,11 @@ class edge_reaction(reaction):
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def __init__(self,
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equation = '',
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kf = None,
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ID = '',
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id = '',
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order = '',
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beta = 0.0,
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options = []):
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reaction.__init__(self, equation, kf, ID, order, options)
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reaction.__init__(self, equation, kf, id, order, options)
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self._type = 'edge'
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self._beta = beta
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