Adding another test problem.
This commit is contained in:
Harry Moffat
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commit
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5 changed files with 706 additions and 0 deletions
5
test_problems/python/tut3/.cvsignore
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test_problems/python/tut3/.cvsignore
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csvCode.txt
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ct2ctml.log
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diff_test.out
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gri30.xml
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output.txt
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2
test_problems/python/tut3/cleanup
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test_problems/python/tut3/cleanup
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#!/bin/sh
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/bin/rm -f csvCode.txt ct2ctml.log diff_test.out output.txt gri30.xml
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575
test_problems/python/tut3/output_blessed.txt
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test_problems/python/tut3/output_blessed.txt
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Tutorial 3: Getting Help
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Cantera.solution.Solution
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Help on class Solution in module Cantera.solution:
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class Solution(Cantera.ThermoPhase.ThermoPhase, Cantera.Kinetics.Kinetics, Cantera.Transport.Transport)
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| A class for chemically-reacting solutions.
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| Instances can be created to represent any type of solution -- a
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| mixture of gases, a liquid solution, or a solid solution, for
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| example.
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| Class Solution derives from classes ThermoPhase, Kinetics, and
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| Transport. It defines very few methods of its own, and is
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| provided largely for convenience, so that a single object can be
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| used to compute thermodynamic, kinetic, and transport properties
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| of a solution. Functions like IdealGasMix and others defined in
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| module gases return objects of class Solution.
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| Method resolution order:
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| Solution
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| Cantera.ThermoPhase.ThermoPhase
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| Cantera.Phase.Phase
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| Cantera.Kinetics.Kinetics
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| Cantera.Transport.Transport
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| Methods defined here:
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| __del__(self)
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| __init__(self, src='', id='', loglevel=0, debug=0)
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| __repr__(self)
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| name(self)
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| set(self, **options)
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| Set various properties.
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| T --- temperature [K]
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| P --- pressure [Pa]
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| Rho --- density [kg/m3]
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| V --- specific volume [m3/kg]
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| H --- specific enthalpy [J/kg]
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| U --- specific internal energy [J/kg]
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| S --- specific entropy [J/kg/K]
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| X --- mole fractions (string or array)
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| Y --- mass fractions (string or array)
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| Vapor --- saturated vapor fraction
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| Liquid --- saturated liquid fraction
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| ----------------------------------------------------------------------
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| Methods inherited from Cantera.ThermoPhase.ThermoPhase:
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| chemPotentials(self, species=[])
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| Species chemical potentials.
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| This method returns an array containing the species
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| chemical potentials [J/kmol]. The expressions used to
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| compute these depend on the model implemented by the
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| underlying kernel thermo manager.
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| cp_R(self, species=[])
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| Pure species non-dimensional heat capacities
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| at constant pressure.
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| This method returns an array containing the pure-species
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| standard-state heat capacities divided by R. For gaseous
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| species, these values are ideal gas heat capacities.
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| cp_mass(self)
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| Specific heat at constant pressure [J/kg/K].
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| cp_mole(self)
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| The molar heat capacity at constant pressure [J/kmol/K].
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| cv_mass(self)
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| Specific heat at constant volume [J/kg/K].
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| cv_mole(self)
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| The molar heat capacity at constant volume [J/kmol/K].
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| electricPotential(self)
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| Electric potential [V].
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| elementPotentials(self, elements=[])
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| Element potentials of the elements.
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| This method returns an array containing the element potentials
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| [J/kmol]. The element potentials are only defined for
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| equilibrium states. This method first sets the composition to
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| a state of equilibrium holding T and P constant, then computes
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| the element potentials for this equilibrium state.
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| enthalpies_RT(self, species=[])
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| Pure species non-dimensional enthalpies.
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| This method returns an array containing the pure-species
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| standard-state enthalpies divided by RT. For gaseous species,
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| these values are ideal gas enthalpies.
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| enthalpy_mass(self)
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| Specific enthalpy [J/kg].
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| enthalpy_mole(self)
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| The molar enthalpy [J/kmol].
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| entropies_R(self, species=[])
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| Pure species non-dimensional entropies.
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| This method returns an array containing the pure-species
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| standard-state entropies divided by R. For gaseous species,
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| these values are ideal gas entropies.
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| entropy_mass(self)
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| Specific entropy [J/kg/K].
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| entropy_mole(self)
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| The molar entropy [J/kmol/K].
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| equilibrate(self, XY, solver=-1, rtol=1.0000000000000001e-09, maxsteps=1000, maxiter=100, loglevel=0)
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| Set to a state of chemical equilibrium holding property pair
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| 'XY' constant.
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| XY -- A two-letter string, which must be one of the set
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| ['TP','TV','HP','SP','SV','UV','PT','VT','PH','PS','VS','VU'].
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| If H, U, S, or V is specified, the value must be the specific
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| value (per unit mass).
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| solver -- specifies the equilibrium solver to use. If solver =
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| 0, a fast solver using the element potential method will be
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| used. If solver > 0, a slower but more robust Gibbs
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| minimization solver will be used. If solver < 0 or
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| unspecified, the fast solver will be tried first, then if it
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| fails the other will be tried.
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| rtol -- the relative error tolerance.
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| maxsteps -- maximum number of steps in composition to take to
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| find a converged solution.
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| maxiter -- for the Gibbs minimization solver only, this
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| specifies the number of 'outer' iterations on T or P when some
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| property pair other than TP is specified.
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| loglevel -- set to a value > 0 to write diagnostic output to a
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| file in HTML format. Larger values generate more detailed
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| information. The file will be named 'equilibrate_log.html.'
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| Subsequent files will be named 'equillibrate_log1.html', etc.,
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| so that log files are not overwritten.
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| gibbs_RT(self, species=[])
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| Pure species non-dimensional Gibbs free energies.
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| This method returns an array containing the pure-species
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| standard-state Gibbs free energies divided by R.
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| For gaseous species, these are ideal gas values.
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| gibbs_mass(self)
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| Specific Gibbs free energy [J/kg].
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| gibbs_mole(self)
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| The molar Gibbs function [J/kmol].
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| intEnergy_mass(self)
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| Specific internal energy [J/kg].
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| intEnergy_mole(self)
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| The molar internal energy [J/kmol].
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| maxTemp(self, sp=None)
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| Maximum temperature for which thermodynamic property fits
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| are valid. If a species is specified (by name or number),
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| then the maximum temperature is for only this
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| species. Otherwise it is the highest temperature for which the
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| properties are valid for all species.
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| minTemp(self, sp=None)
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| Minimum temperature for which thermodynamic property fits
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| are valid. If a species is specified (by name or number),
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| then the minimum temperature is for only this
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| species. Otherwise it is the lowest temperature for which the
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| properties are valid for all species.
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| pressure(self)
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| The pressure [Pa].
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| refPressure(self)
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| Reference pressure [Pa].
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| All standard-state thermodynamic properties are for this pressure.
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| restoreState(self, s)
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| Restore the state to that stored in array s.
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| saveState(self)
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| Return an array with state information that can later be
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| used to restore the state.
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| setElectricPotential(self, v)
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| Set the electric potential.
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| setName(self, name)
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| setPressure(self, p)
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| Set the pressure [Pa].
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| setState_HP(self, h, p)
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| Set the state by specifying the specific enthalpy and
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| the pressure.
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| setState_PX(self, p, x)
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| Set the pressure [Pa], and mole fractions.
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| setState_PY(self, p, y)
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| Set the pressure [Pa], and mass fractions.
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| setState_SP(self, s, p)
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| Set the state by specifying the specific entropy
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| energy and the pressure.
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| setState_SV(self, s, v)
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| Set the state by specifying the specific entropy
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| and the specific volume.
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| setState_TP(self, t, p)
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| Set the temperature [K] and pressure [Pa].
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| setState_TPX(self, t, p, x)
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| Set the temperature [K], pressure [Pa], and
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| mole fractions.
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| setState_TPY(self, t, p, y)
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| Set the temperature [K], pressure [Pa], and
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| mass fractions.
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| setState_UV(self, u, v)
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| Set the state by specifying the specific internal
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| energy and the specific volume.
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| thermo_hndl(self)
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| Return the integer index that is used to
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| reference the kernel object. For internal use.
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| thermophase(self)
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| Return the integer index that is used to
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| reference the kernel object. For internal use.
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| ----------------------------------------------------------------------
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| Methods inherited from Cantera.Phase.Phase:
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| atomicWeights(self, elements=[])
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| Array of element molar masses [kg/kmol].
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| If a sequence of element symbols is supplied, only the values
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| for those elements are returned, ordered as in the
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| list. Otherwise, the values are for all elements in the phase,
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| ordered as in the input file.
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| density(self)
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| Mass density [kg/m^3].
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| elementIndex(self, element)
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| The index of element 'element', which may be specified as
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| a string or an integer index. In the latter case, the index is
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| checked for validity and returned. If no such element is
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| present, an exception is thrown.
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| elementName(self, m)
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| Name of the element with index number m.
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| elementNames(self)
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| Return a tuple of all element names.
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| massFraction(self, species)
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| Mass fraction of one species, referenced by name or
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| index number.
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| >>> ph.massFraction(4)
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| >>> ph.massFraction('CH4')
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| massFractions(self, species=None)
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| Species mass fraction array.
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| If optional argument 'species'
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| is supplied, then only the values for the selected species are
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| returned.
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| >>> y1 = ph.massFractions() # all species
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| >>> y2 = ph.massFractions(['OH', 'CH3'. 'O2'])
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| meanMolarMass(self)
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| Mean molar mass [kg/kmol].
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| meanMolecularWeight(self)
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| Mean molar mass [kg/kmol].
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| molarDensity(self)
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| Molar density [kmol/m^3].
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| molarMasses(self, species=None)
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| Array of species molar masses [kg/kmol].
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| moleFraction(self, species)
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| Mole fraction of a species, referenced by name or
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| index number.
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| >>> ph.moleFraction(4)
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| >>> ph.moleFraction('CH4')
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| moleFractions(self, species=None)
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| Species mole fraction array.
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| If optional argument 'species'
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| is supplied, then only the values for the selected species are
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| returned.
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| >>> x1 = ph.moleFractions() # all species
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| >>> x2 = ph.moleFractions(['OH', 'CH3'. 'O2'])
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| molecularWeights(self, species=None)
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| Array of species molar masses [kg/kmol].
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| nAtoms(self, species=None, element=None)
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| Number of atoms of element 'element' in species 'species'.
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| The element and species may be specified by name or by number.
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| >>> ph.nAtoms('CH4','H')
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| ___ 4
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| nElements(self)
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| Number of elements.
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| nSpecies(self)
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| Number of species.
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| phase_id(self)
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| The integer index used to access the kernel-level object.
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| Internal.
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| selectElements(self, f, elements)
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| Given an array 'f' of floating-point element properties,
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| return a nummodule array of those values corresponding to elements
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| listed in 'elements'.
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| >>> f = ph.elementPotentials()
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| >>> lam_o, lam_h = ph.selectElements(f, ['O', 'H'])
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| selectSpecies(self, f, species)
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| Given an array 'f' of floating-point species properties,
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| return an array of those values corresponding to species
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| listed in 'species'. This method is used internally to implement
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| species selection in methods like moleFractions, massFractions, etc.
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| >>> f = ph.chemPotentials()
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| >>> muo2, muh2 = ph.selectSpecies(f, ['O2', 'H2'])
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| setDensity(self, rho)
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| Set the density [kg/m3].
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| setMassFractions(self, x, norm=1)
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| Set the mass fractions.
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| See: setMoleFractions
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| setMolarDensity(self, n)
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| Set the density [kmol/m3].
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| setMoleFractions(self, x, norm=1)
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| Set the mole fractions.
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| x - string or array of mole fraction values
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| norm - If non-zero (default), array values will be
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| scaled to sum to 1.0.
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| >>> ph.setMoleFractions('CO:1, H2:7, H2O:7.8')
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| >>> x = [1.0]*ph.nSpecies()
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| >>> ph.setMoleFractions(x)
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| >>> ph.setMoleFractions(x, norm = 0) # don't normalize values
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| setState_TNX(self, t, n, x)
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| Set the temperature, molardensity, and mole fractions. The mole
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| fractions may be entered as a string or array,
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| >>> ph.setState_TNX(600.0, 2.0e-3, 'CH4:0.4, O2:0.6')
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| setState_TR(self, t, rho)
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| Set the temperature and density, leaving the composition
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| unchanged.
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| setState_TRX(self, t, rho, x)
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| Set the temperature, density, and mole fractions. The mole
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| fractions may be entered as a string or array,
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| >>> ph.setState_TRX(600.0, 2.0e-3, 'CH4:0.4, O2:0.6')
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| setState_TRY(self, t, rho, y)
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| Set the temperature, density, and mass fractions.
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| setTemperature(self, t)
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| Set the temperature [K].
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| speciesIndex(self, species)
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| The index of species 'species', which may be specified as
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| a string or an integer index. In the latter case, the index is
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| checked for validity and returned. If no such species is
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| present, an exception is thrown.
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| speciesName(self, k)
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| Name of the species with index k.
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| speciesNames(self)
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| Return a tuple of all species names.
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| temperature(self)
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| Temperature [K].
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| volume_mass(self)
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| Specific volume [m^3/kg].
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|
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| ----------------------------------------------------------------------
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| Methods inherited from Cantera.Kinetics.Kinetics:
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| activationEnergies(self)
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| Activation energies in Kelvin for all reactions.
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| advanceCoverages(self, dt)
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| clear(self)
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| Delete the kinetics manager.
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| creationRates(self, phase=None)
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| delta_G(self)
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| delta_G0(self)
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| delta_H(self)
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| delta_H0(self)
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| delta_S(self)
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| delta_S0(self)
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| destructionRates(self, phase=None)
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| equilibriumConstants(self)
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| Equilibrium constants in concentration units for all reactions.
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| fwdRateConstants(self)
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| Forward rate constants for all reactions.
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| fwdRatesOfProgress(self)
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| Forward rates of progress of the reactions.
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| isReversible(self, i)
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| True (1) if reaction number 'i' is reversible,
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| and false (0) otherwise.
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| kin_index(self)
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| kineticsSpeciesIndex(self, name, phase)
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| The index of a species.
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| name -- species name
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| phase -- phase name
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|
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| Kinetics managers for heterogeneous reaction mechanisms
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| maintain a list of all species in all phases. The order of the
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| species in this list determines the ordering of the arrays of
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| production rates. This method returns the index for the
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| specified species of the specified phase, and is used to
|
||||
| locate the entry for a particular species in the production
|
||||
| rate arrays.
|
||||
|
|
||||
| kineticsStart(self, n)
|
||||
| The starting location of phase n in production rate arrays.
|
||||
|
|
||||
| kineticsType(self)
|
||||
| Kinetics manager type.
|
||||
|
|
||||
| kinetics_hndl(self)
|
||||
|
|
||||
| multiplier(self, i)
|
||||
|
|
||||
| nPhases(self)
|
||||
| Number of phases.
|
||||
|
|
||||
| nReactions(self)
|
||||
| Number of reactions.
|
||||
|
|
||||
| netProductionRates(self, phase=None)
|
||||
|
|
||||
| netRatesOfProgress(self)
|
||||
| Net rates of progress of the reactions.
|
||||
|
|
||||
| phase(self, n)
|
||||
| Return an object representing the nth phase.
|
||||
|
|
||||
| productStoichCoeff(self, k, i)
|
||||
| The stoichiometric coefficient of species k as a product in reaction i.
|
||||
|
|
||||
| productStoichCoeffs(self)
|
||||
| The array of product stoichiometric coefficients. Element
|
||||
| [k,i] of this array is the product stoichiometric
|
||||
| coefficient of species k in reaction i.
|
||||
|
|
||||
| reactantStoichCoeff(self, k, i)
|
||||
| The stoichiometric coefficient of species k as a reactant in reaction i.
|
||||
|
|
||||
| reactantStoichCoeffs(self)
|
||||
| The array of reactant stoichiometric coefficients. Element
|
||||
| [k,i] of this array is the reactant stoichiometric
|
||||
| coefficient of species k in reaction i.
|
||||
|
|
||||
| reactionEqn(self, i)
|
||||
| The equation for the specified reaction. If a list of equation numbers
|
||||
| is given, then a list of equation strings is returned.
|
||||
|
|
||||
| reactionPhaseIndex(self)
|
||||
| The phase in which the reactions take place.
|
||||
|
|
||||
| reactionString(self, i)
|
||||
| Reaction string for reaction number 'i'
|
||||
|
|
||||
| reactionType(self, i)
|
||||
| Type of reaction 'i'
|
||||
|
|
||||
| revRateConstants(self, doIrreversible=0)
|
||||
| Reverse rate constants for all reactions.
|
||||
|
|
||||
| revRatesOfProgress(self)
|
||||
| Reverse rates of progress of the reactions.
|
||||
|
|
||||
| setMultiplier(self, value=0.0, reaction=-1)
|
||||
|
|
||||
| sourceTerms(self)
|
||||
|
|
||||
| ----------------------------------------------------------------------
|
||||
| Methods inherited from Cantera.Transport.Transport:
|
||||
|
|
||||
| addTransportModel(self, model, loglevel=1)
|
||||
| Add a new transport model. Note that if 'model' is the
|
||||
| name of an already-installed transport model, the new
|
||||
| transport manager will take the place of the old one, which
|
||||
| will no longer be accessible. This method does not change the
|
||||
| active model.
|
||||
|
|
||||
| binaryDiffCoeffs(self)
|
||||
| Two-dimensional array of species binary diffusion coefficients.
|
||||
|
|
||||
| desc(self)
|
||||
| A short description of the active model.
|
||||
|
|
||||
| mixDiffCoeffs(self)
|
||||
| Mixture-averaged diffusion coefficients.
|
||||
|
|
||||
| molarFluxes(self, state1, state2, delta)
|
||||
|
|
||||
| multiDiffCoeffs(self)
|
||||
| Two-dimensional array of species multicomponent diffusion
|
||||
| coefficients. Not implemented in all transport managers.
|
||||
|
|
||||
| setParameters(self, type, k, params)
|
||||
| Set model-specific parameters.
|
||||
|
|
||||
| switchTransportModel(self, model)
|
||||
| Switch to a different transport model.
|
||||
|
|
||||
| thermalConductivity(self)
|
||||
| Thermal conductivity. [W/m/K].
|
||||
|
|
||||
| thermalDiffCoeffs(self)
|
||||
| Return a one-dimensional array of the species thermal diffusion
|
||||
| coefficients. Not implemented in all transport models.
|
||||
|
|
||||
| transport_hndl(self)
|
||||
| For internal use.
|
||||
|
|
||||
| transport_id(self)
|
||||
| For internal use.
|
||||
|
|
||||
| viscosity(self)
|
||||
| Viscosity [Pa-s].
|
||||
|
||||
76
test_problems/python/tut3/runtest
Executable file
76
test_problems/python/tut3/runtest
Executable file
|
|
@ -0,0 +1,76 @@
|
|||
#!/bin/sh
|
||||
#
|
||||
#
|
||||
if test "$#" -ge "2" ; then
|
||||
echo "runtest ERROR: program requires one argument."
|
||||
echo " runtest PYTHON_CMD"
|
||||
exit 0
|
||||
fi
|
||||
|
||||
temp_success="1"
|
||||
/bin/rm -f output.txt diff_test.out csvCode.txt ct2ctml.log \
|
||||
gri30.xml
|
||||
|
||||
testName=tut3
|
||||
#################################################################
|
||||
#
|
||||
#################################################################
|
||||
#
|
||||
# Try to create a default python executable location if no
|
||||
# argument to runtest is supplied.
|
||||
#
|
||||
if test -z "$PYTHON_CMD" ; then
|
||||
if test -z "$PYTHONHOME" ; then
|
||||
PYTHON_CMDA=python
|
||||
else
|
||||
PYTHON_CMDA=$PYTHONHOME/bin/python
|
||||
fi
|
||||
else
|
||||
PYTHON_CMDA=$PYTHON_CMD
|
||||
fi
|
||||
FIRSTARG=$1
|
||||
PYTHON_CMDB=${FIRSTARG:=$PYTHON_CMDA}
|
||||
|
||||
#
|
||||
# Check to see whether the python executable exists in the
|
||||
# current user path
|
||||
#
|
||||
locThere=`which $PYTHON_CMDB 2>&1`
|
||||
isThere=$?
|
||||
if test "$isThere" != "0" ; then
|
||||
echo 'Can not find the python executable: ' $PYTHON_CMDB
|
||||
echo ' '
|
||||
echo $locThere
|
||||
exit 1
|
||||
fi
|
||||
#pVersion=`$PYTHON_CMDB -V 2>&1`
|
||||
|
||||
#################################################################
|
||||
#
|
||||
#################################################################
|
||||
|
||||
echo -n "Testing \"$PYTHON_CMDB tut3\" ... "
|
||||
$PYTHON_CMDB tut3.py > output.txt
|
||||
retnStat=$?
|
||||
if [ $retnStat != "0" ]
|
||||
then
|
||||
temp_success="0"
|
||||
echo "ERROR: tut3.py returned with bad status, $retnStat, check output"
|
||||
fi
|
||||
|
||||
diff -w output.txt output_blessed.txt > diff_test.out
|
||||
retnStat=$?
|
||||
if [ $retnStat = "0" ]
|
||||
then
|
||||
echo "successful diff comparison on $testName test"
|
||||
if [ $temp_success = "1" ]
|
||||
then
|
||||
echo "PASSED" > csvCode.txt
|
||||
fi
|
||||
else
|
||||
echo "unsuccessful diff comparison on $testName test"
|
||||
echo "FAILED" > csvCode.txt
|
||||
temp_success="0"
|
||||
fi
|
||||
echo
|
||||
|
||||
48
test_problems/python/tut3/tut3.py
Normal file
48
test_problems/python/tut3/tut3.py
Normal file
|
|
@ -0,0 +1,48 @@
|
|||
######################################################
|
||||
print """
|
||||
|
||||
Tutorial 3: Getting Help
|
||||
|
||||
"""
|
||||
######################################################
|
||||
|
||||
# Suppose you have created a Cantera object and want to know what
|
||||
# methods are available for it, and get help on using the methods.
|
||||
from Cantera import *
|
||||
g = GRI30()
|
||||
|
||||
# The first thing you need to know is the Python class that object g
|
||||
# belongs to. In Python, the class an object belongs to is stored in
|
||||
# data member __class__:
|
||||
|
||||
print g.__class__
|
||||
|
||||
# To get help on this class, type
|
||||
help(g.__class__)
|
||||
|
||||
|
||||
# You can also use the Python module browser to view this same
|
||||
# information in a web browser. Under Windows, on the Start menu
|
||||
# select
|
||||
# Start
|
||||
# |---Programs
|
||||
# |---Python2.x
|
||||
# |---Module Docs
|
||||
#
|
||||
# On unix, linux, or Mac OSX, at a shell prompt type
|
||||
#
|
||||
# pydoc -g
|
||||
#
|
||||
# A small pop-up window will appear. Enter 'Cantera' in the search
|
||||
# box, or else simply click on 'open browser', then navigate to the
|
||||
# Cantera module, and then select what you want documentation about.
|
||||
|
||||
|
||||
# Note: if you run into problems running the module browser this way,
|
||||
# do this instead: Run 'pythonw' interactively (not 'python'), import
|
||||
# module 'pydoc', and call function 'gui':
|
||||
#
|
||||
# pythonw
|
||||
# >>> import pydoc
|
||||
# >>> pydoc.gui()
|
||||
#
|
||||
Loading…
Add table
Reference in a new issue