[CTI] Add optional 'note' field to Phase definitions
The note field is preserved when converting to XML, and can be used to store extra information used by applications other than Cantera.
This commit is contained in:
Ray Speth
parent
7f35228e3f
commit
1a291b47fe
3 changed files with 41 additions and 14 deletions
|
|
@ -489,6 +489,8 @@ class species(object):
|
|||
The atomic composition, specified by a string containing
|
||||
space-delimited <element>:<atoms> pairs. The number of atoms may be
|
||||
either an integer or a floating-point number.
|
||||
:param note:
|
||||
A user-defined comment. Not evaluated by Cantera itself.
|
||||
:param thermo:
|
||||
The parameterization to use to compute the reference-state
|
||||
thermodynamic properties. This must be one of the entry types
|
||||
|
|
@ -1603,6 +1605,7 @@ class phase(object):
|
|||
dim = 3,
|
||||
elements = '',
|
||||
species = '',
|
||||
note = '',
|
||||
reactions = 'none',
|
||||
initial_state = None,
|
||||
options = []):
|
||||
|
|
@ -1615,6 +1618,8 @@ class phase(object):
|
|||
:param species:
|
||||
The species. A string or sequence of strings in the format
|
||||
described in :ref:`sec-defining-species`.
|
||||
:param note:
|
||||
A user-defined comment. Not evaluated by Cantera itself.
|
||||
:param reactions:
|
||||
The homogeneous reactions. If omitted, no reactions will be
|
||||
included. A string or sequence of strings in the format described
|
||||
|
|
@ -1637,6 +1642,7 @@ class phase(object):
|
|||
self._el = elements
|
||||
self._sp = []
|
||||
self._rx = []
|
||||
self._comment = note
|
||||
|
||||
if isinstance(options, str):
|
||||
self._options = [options]
|
||||
|
|
@ -1800,6 +1806,10 @@ class phase(object):
|
|||
#self._eos.build(ph)
|
||||
if self._initial:
|
||||
self._initial.build(ph)
|
||||
|
||||
if self._comment:
|
||||
ph.addChild('note',self._comment)
|
||||
|
||||
return ph
|
||||
|
||||
|
||||
|
|
@ -1809,6 +1819,7 @@ class ideal_gas(phase):
|
|||
name = '',
|
||||
elements = '',
|
||||
species = '',
|
||||
note = '',
|
||||
reactions = 'none',
|
||||
kinetics = 'GasKinetics',
|
||||
transport = 'None',
|
||||
|
|
@ -1827,7 +1838,7 @@ class ideal_gas(phase):
|
|||
``'multi'``, or ``'mix'``. Default: ``'none'``.
|
||||
"""
|
||||
|
||||
phase.__init__(self, name, 3, elements, species, reactions,
|
||||
phase.__init__(self, name, 3, elements, species, note, reactions,
|
||||
initial_state, options)
|
||||
self._pure = 0
|
||||
self._kin = kinetics
|
||||
|
|
@ -1865,6 +1876,7 @@ class stoichiometric_solid(phase):
|
|||
name = '',
|
||||
elements = '',
|
||||
species = '',
|
||||
note = '',
|
||||
density = None,
|
||||
transport = 'None',
|
||||
initial_state = None,
|
||||
|
|
@ -1873,7 +1885,7 @@ class stoichiometric_solid(phase):
|
|||
See :class:`.phase` for descriptions of the parameters.
|
||||
"""
|
||||
|
||||
phase.__init__(self, name, 3, elements, species, 'none',
|
||||
phase.__init__(self, name, 3, elements, species, note, 'none',
|
||||
initial_state, options)
|
||||
self._dens = density
|
||||
self._pure = 1
|
||||
|
|
@ -1907,6 +1919,7 @@ class stoichiometric_liquid(stoichiometric_solid):
|
|||
name = '',
|
||||
elements = '',
|
||||
species = '',
|
||||
note = '',
|
||||
density = -1.0,
|
||||
transport = 'None',
|
||||
initial_state = None,
|
||||
|
|
@ -1925,12 +1938,13 @@ class metal(phase):
|
|||
name = '',
|
||||
elements = '',
|
||||
species = '',
|
||||
note = '',
|
||||
density = -1.0,
|
||||
transport = 'None',
|
||||
initial_state = None,
|
||||
options = []):
|
||||
|
||||
phase.__init__(self, name, 3, elements, species, 'none',
|
||||
phase.__init__(self, name, 3, elements, species, note, 'none',
|
||||
initial_state, options)
|
||||
self._dens = density
|
||||
self._pure = 0
|
||||
|
|
@ -1956,6 +1970,7 @@ class semiconductor(phase):
|
|||
name = '',
|
||||
elements = '',
|
||||
species = '',
|
||||
note = '',
|
||||
density = -1.0,
|
||||
bandgap = 1.0 * eV,
|
||||
effectiveMass_e = 1.0 * ElectronMass,
|
||||
|
|
@ -1964,7 +1979,7 @@ class semiconductor(phase):
|
|||
initial_state = None,
|
||||
options = []):
|
||||
|
||||
phase.__init__(self, name, 3, elements, species, 'none',
|
||||
phase.__init__(self, name, 3, elements, species, note, 'none',
|
||||
initial_state, options)
|
||||
self._dens = density
|
||||
self._pure = 0
|
||||
|
|
@ -1997,12 +2012,13 @@ class incompressible_solid(phase):
|
|||
name = '',
|
||||
elements = '',
|
||||
species = '',
|
||||
note = '',
|
||||
density = -1.0,
|
||||
transport = 'None',
|
||||
initial_state = None,
|
||||
options = []):
|
||||
|
||||
phase.__init__(self, name, 3, elements, species, 'none',
|
||||
phase.__init__(self, name, 3, elements, species, note, 'none',
|
||||
initial_state, options)
|
||||
self._dens = density
|
||||
self._pure = 0
|
||||
|
|
@ -2026,16 +2042,18 @@ class incompressible_solid(phase):
|
|||
|
||||
|
||||
class lattice(phase):
|
||||
def __init__(self, name = '',
|
||||
def __init__(self,
|
||||
name = '',
|
||||
elements = '',
|
||||
species = '',
|
||||
note = '',
|
||||
reactions = 'none',
|
||||
transport = 'None',
|
||||
initial_state = None,
|
||||
options = [],
|
||||
site_density = -1.0,
|
||||
vacancy_species = ''):
|
||||
phase.__init__(self, name, 3, elements, species, 'none',
|
||||
phase.__init__(self, name, 3, elements, species, note, 'none',
|
||||
initial_state, options)
|
||||
self._tr = transport
|
||||
self._n = site_density
|
||||
|
|
@ -2070,6 +2088,7 @@ class lattice_solid(phase):
|
|||
name = '',
|
||||
elements = '',
|
||||
species = '',
|
||||
note = '',
|
||||
lattices = [],
|
||||
transport = 'None',
|
||||
initial_state = None,
|
||||
|
|
@ -2096,7 +2115,7 @@ class lattice_solid(phase):
|
|||
slist.append(sp)
|
||||
species = ' '.join(slist)
|
||||
|
||||
phase.__init__(self, name, 3, elements, species, 'none',
|
||||
phase.__init__(self, name, 3, elements, species, note, 'none',
|
||||
initial_state, options)
|
||||
self._lattices = lattices
|
||||
if lattices == []:
|
||||
|
|
@ -2136,11 +2155,12 @@ class liquid_vapor(phase):
|
|||
name = '',
|
||||
elements = '',
|
||||
species = '',
|
||||
note = '',
|
||||
substance_flag = 0,
|
||||
initial_state = None,
|
||||
options = []):
|
||||
|
||||
phase.__init__(self, name, 3, elements, species, 'none',
|
||||
phase.__init__(self, name, 3, elements, species, note, 'none',
|
||||
initial_state, options)
|
||||
self._subflag = substance_flag
|
||||
self._pure = 1
|
||||
|
|
@ -2165,12 +2185,13 @@ class RedlichKwongMFTP(phase):
|
|||
name = '',
|
||||
elements = '',
|
||||
species = '',
|
||||
note = '',
|
||||
initial_state = None,
|
||||
activity_coefficients = None,
|
||||
transport = 'None',
|
||||
options = []):
|
||||
|
||||
phase.__init__(self,name, 3, elements, species, 'none',
|
||||
phase.__init__(self,name, 3, elements, species, note, 'none',
|
||||
initial_state,options)
|
||||
self._pure = 0
|
||||
self._tr = transport
|
||||
|
|
@ -2210,13 +2231,14 @@ class redlich_kwong(phase):
|
|||
name = '',
|
||||
elements = '',
|
||||
species = '',
|
||||
note = '',
|
||||
substance_flag = 7,
|
||||
initial_state = None,
|
||||
Tcrit = 1.0,
|
||||
Pcrit = 1.0,
|
||||
options = []):
|
||||
|
||||
phase.__init__(self, name, 3, elements, species, 'none',
|
||||
phase.__init__(self, name, 3, elements, species, note, 'none',
|
||||
initial_state, options)
|
||||
self._subflag = 7
|
||||
self._pure = 1
|
||||
|
|
@ -2245,6 +2267,7 @@ class ideal_interface(phase):
|
|||
name = '',
|
||||
elements = '',
|
||||
species = '',
|
||||
note = '',
|
||||
reactions = 'none',
|
||||
site_density = 0.0,
|
||||
phases = [],
|
||||
|
|
@ -2267,7 +2290,7 @@ class ideal_interface(phase):
|
|||
at this interface.
|
||||
"""
|
||||
self._type = 'surface'
|
||||
phase.__init__(self, name, 2, elements, species, reactions,
|
||||
phase.__init__(self, name, 2, elements, species, note, reactions,
|
||||
initial_state, options)
|
||||
self._pure = 0
|
||||
self._kin = kinetics
|
||||
|
|
@ -2297,6 +2320,7 @@ class edge(phase):
|
|||
name = '',
|
||||
elements = '',
|
||||
species = '',
|
||||
note = '',
|
||||
reactions = 'none',
|
||||
site_density = 0.0,
|
||||
phases = [],
|
||||
|
|
@ -2306,7 +2330,7 @@ class edge(phase):
|
|||
options = []):
|
||||
|
||||
self._type = 'edge'
|
||||
phase.__init__(self, name, 1, elements, species, reactions,
|
||||
phase.__init__(self, name, 1, elements, species, note, reactions,
|
||||
initial_state, options)
|
||||
self._pure = 0
|
||||
self._kin = kinetics
|
||||
|
|
@ -2433,6 +2457,7 @@ class edge(phase):
|
|||
## name = '',
|
||||
## elements = '',
|
||||
## species = '',
|
||||
## note = '',
|
||||
## transport = 'None',
|
||||
## initial_state = None,
|
||||
## solvent = '',
|
||||
|
|
@ -2440,7 +2465,7 @@ class edge(phase):
|
|||
## activity_coefficients = None,
|
||||
## options = []):
|
||||
|
||||
## phase.__init__(self, name, 3, elements, species, 'none',
|
||||
## phase.__init__(self, name, 3, elements, species, note, 'none',
|
||||
## initial_state, options)
|
||||
## self._pure = 0
|
||||
## self._solvent = solvent
|
||||
|
|
|
|||
|
|
@ -9,6 +9,7 @@ ideal_gas(name = "air",
|
|||
|
||||
ideal_gas(name = "notair",
|
||||
elements = " O N ",
|
||||
note = "This phase contains no Argon.",
|
||||
species = """ O O2 N NO NO2 N2O N2 """,
|
||||
initial_state = state(temperature = 900.0,
|
||||
pressure = 5*OneAtm,
|
||||
|
|
|
|||
|
|
@ -25,6 +25,7 @@
|
|||
<pressure units="Pa">506625.0</pressure>
|
||||
<massFractions>O2:0.5, N2:0.5</massFractions>
|
||||
</state>
|
||||
<note>This phase contains no Argon.</note>
|
||||
<thermo model="IdealGas"/>
|
||||
<kinetics model="GasKinetics"/>
|
||||
<transport model="None"/>
|
||||
|
|
|
|||
Loading…
Add table
Reference in a new issue