2528df0f75
These changes make it unnecessary to copy header files around during the build process, which tends to confuse IDEs and debuggers. The headers which comprise Cantera's external C++ interface are now in the 'include' directory. All of the samples and demos are now in the 'samples' subdirectory.
141 lines
3.8 KiB
Python
141 lines
3.8 KiB
Python
from Cantera import GasConstant, OneAtm
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from Cantera.num import zeros, ones
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from utilities import handleError
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def spdict(phase, x):
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nm = phase.speciesNames()
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data = {}
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for k in range(len(nm)):
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data[nm[k]] = x[k]
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return data
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class Species:
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def __init__(self,g,name):
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self.g = g
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t = g.temperature()
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p = g.pressure()
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x = g.moleFractions()
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self.name = name
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self.symbol = name
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self.index = g.speciesIndex(name)
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self.minTemp = g.minTemp(self.index)
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self.maxTemp = g.maxTemp(self.index)
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self.molecularWeight = g.molecularWeights()[self.index]
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self.c = []
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self.e = g.elementNames()
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self.hf0 = self.enthalpy_RT(298.15)*GasConstant*298.15
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g.setState_TPX(t,p,x)
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for n in range(len(self.e)):
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na = g.nAtoms(self.index, n)
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if na > 0:
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self.c.append((self.e[n],na))
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def composition(self):
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return self.c
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def enthalpy_RT(self,t):
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self.g.setTemperature(t)
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return self.g.enthalpies_RT()[self.index]
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def cp_R(self,t):
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self.g.setTemperature(t)
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return self.g.cp_R()[self.index]
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def entropy_R(self,t):
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self.g.setTemperature(t)
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return self.g.entropies_R()[self.index]
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class Mix:
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def __init__(self,g):
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self.g = g
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self._mech = g
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self.nsp = g.nSpecies()
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self._moles = zeros(self.nsp,'d')
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self.wt = g.molecularWeights()
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def setMoles(self, m):
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self._moles = m
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self.g.setMoleFractions(self._moles)
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def moles(self):
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return self._moles
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def totalMoles(self):
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sum = 0.0
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for k in range(self.nsp):
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sum += self._moles[k]
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return sum
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def totalMass(self):
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sum = 0.0
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for k in range(self.nsp):
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sum += self._moles[k]*self.wt[k]
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return sum
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def moleDict(self):
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d = {}
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nm = self.g.speciesNames()
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for e in range(self.nsp):
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d[nm[e]] = self._moles[e]
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return d
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def setMass(self, m):
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self.setMoles( m/self.wt)
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def mass(self):
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return self.wt*self._moles
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def speciesNames(self):
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return self.g.speciesNames()
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def massDict(self):
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d = {}
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nm = self.g.speciesNames()
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for e in range(self.nsp):
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d[nm[e]] = self._moles[e]*self.wt[e]
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return d
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def set(self, temperature = None, pressure = None,
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density = None, enthalpy = None,
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entropy = None, intEnergy = None, equil = 0):
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total_mass = self.totalMass()
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if temperature and pressure:
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self.g.setState_TP(temperature, pressure)
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if equil:
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self.g.equilibrate('TP',solver=0)
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elif temperature and density:
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self.g.setState_TR(temperature, density)
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if equil:
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self.g.equilibrate('TV',solver=0)
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elif pressure and enthalpy:
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self.g.setState_HP(enthalpy, pressure)
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if equil:
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self.g.equilibrate('HP',solver=0)
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elif pressure and entropy:
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self.g.setState_SP(entropy, pressure)
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if equil:
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self.g.equilibrate('SP',solver=0)
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elif density and entropy:
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self.g.setState_SV(entropy, 1.0/density)
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if equil:
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self.g.equilibrate('SV',solver=0)
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elif density and intEnergy:
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self.g.setState_UV(intEnergy, 1.0/density)
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if equil:
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self.g.equilibrate('UV',solver=0)
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# else:
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# handleError('unsupported property pair', warning=1)
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total_moles = total_mass/self.g.meanMolecularWeight()
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self._moles = self.g.moleFractions()*total_moles
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