mirror of
https://github.com/Cantera/cantera.git
synced 2025-02-25 18:55:29 -06:00
Address a bunch of review comments
This commit is contained in:
Bryan Weber
Ray Speth
parent
1672898d73
commit
ed4b3a910d
@ -84,48 +84,18 @@ def setup(app):
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lines[i] = l.replace("*", r"\*")
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app.connect('autodoc-process-docstring', escape_splats)
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# NAMES = []
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# DIRECTIVES = {}
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# def get_rst(app, what, name, obj, options, signature,
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# return_annotation):
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# if "with_units" not in name:
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# return
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# doc_indent = ' '
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# directive_indent = ''
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# if what in ['method', 'attribute']:
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# doc_indent += ' '
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# directive_indent += ' '
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# directive = '%s.. py:%s:: %s' % (directive_indent, what, name)
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# if signature: # modules, attributes, ... don't have a signature
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# directive += signature
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# NAMES.append(name)
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# rst = directive + '\n\n' + doc_indent + obj.__doc__ + '\n'
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# DIRECTIVES[name] = rst
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# def write_new_docs(app, exception):
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# txt = ['My module documentation']
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# txt.append('-----------------------\n')
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# for name in NAMES:
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# txt.append(DIRECTIVES[name])
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# # print('\n'.join(txt))
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# with open('../doc_new/generated.rst', 'w') as outfile:
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# outfile.write('\n'.join(txt))
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# app.connect('autodoc-process-signature', get_rst)
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# app.connect('build-finished', write_new_docs)
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autoclass_content = 'both'
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doxylink = {
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'ct': (os.path.abspath('../../build/docs/Cantera.tag'),
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'../../doxygen/html/')
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'ct': (os.path.abspath('../../build/docs/Cantera.tag'),
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'../../doxygen/html/')
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}
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intersphinx_mapping = {
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'python': ('https://docs.python.org/3', None),
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'pandas': ('https://pandas.pydata.org/pandas-docs/stable/', None),
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'numpy': ('https://numpy.org/doc/stable/', None),
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'pint': ('https://pint.readthedocs.io/en/stable/', None),
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}
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# Ensure that the primary domain is the Python domain, since we've added the
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@ -3,10 +3,17 @@
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Python Interface With Units
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===========================
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This interface allows users to specify physical units associated with quantities.
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To do so, this interface leverages the `pint <https://pint.readthedocs.io/en/stable/>`__
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library to provide consistent unit conversion.
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Solution with Units
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-------------------
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.. autoclass:: Solution
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PureFluid Phases With Units
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===========================
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---------------------------
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The following convenience classes are available to create `PureFluid <PureFluid>`
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objects with the indicated equation of state:
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@ -17,6 +17,12 @@ Q_ = units.Quantity
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def copy_doc(method):
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"""Decorator to copy docstrings from related methods in upstream classes.
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This decorator will copy the docstring from the same named method in the upstream
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class, either `Solution` or `PureFluid`. The docstring in the method being
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decorated is appended to the upstream documentation.
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"""
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doc = getattr(method, "__doc__", None) or ""
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if isinstance(method, property):
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method = method.fget
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@ -32,10 +38,6 @@ def copy_doc(method):
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class Solution:
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"""
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A class for chemically-reacting solutions. Instances can be created to
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represent any type of solution -- a mixture of gases, a liquid solution, or
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a solid solution, for example.
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This implementation of `Solution <cantera.with_units.Solution>` operates with
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units by using the `pint` library to convert between unit systems. All properties
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are assigned units in the standard MKS system that Cantera uses, substituting kmol
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@ -50,51 +52,19 @@ class Solution:
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See the `pint documentation <https://pint.readthedocs.io>`__ for more information
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about using pint's ``Quantity`` classes.
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The most common way to instantiate `Solution` objects is by using a phase
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definition, species and reactions defined in an input file::
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gas = ct.Solution('gri30.yaml')
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If an input file defines multiple phases, the corresponding key in the
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``phases`` map can be used to specify the desired phase via the ``name`` keyword
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argument of the constructor::
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gas = ct.Solution('diamond.yaml', name='gas')
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diamond = ct.Solution('diamond.yaml', name='diamond')
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The name of the `Solution` object defaults to the *phase* identifier
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specified in the input file. Upon initialization of a `Solution` object,
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a custom name can assigned via::
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gas.name = 'my_custom_name'
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In addition, `Solution` objects can be constructed by passing the text of
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the YAML phase definition in directly, using the ``yaml`` keyword
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argument::
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yaml_def = '''
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phases:
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- name: gas
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thermo: ideal-gas
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kinetics: gas
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elements: [O, H, Ar]
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species:
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- gri30.yaml/species: all
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reactions:
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- gri30.yaml/reactions: declared-species
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skip-undeclared-elements: true
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skip-undeclared-third-bodies: true
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state: {T: 300, P: 1 atm}
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'''
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gas = ct.Solution(yaml=yaml_def)
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**Note:** This class is experimental. It only implements methods from `ThermoPhase`.
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Methods from other classes are not yet supported. If you are interested in contributing
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to this feature, please chime in on our enhancements issue:
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`<https://github.com/Cantera/enhancements/issues/174>`__.
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"""
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def __init__(self, infile="", name="", *, yaml=None):
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self.__dict__["_phase"] = _Solution(infile, name, yaml=yaml)
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@common_properties@
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@common_properties@
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@thermophase_properties@
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@thermophase_properties@
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Solution.__doc__ = f"{Solution.__doc__}\n{_Solution.__doc__}"
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class PureFluid:
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"""
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@ -113,9 +83,9 @@ class PureFluid:
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about using pint's ``Quantity`` classes.
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"""
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def __init__(self, infile, name="", *, yaml=None, **kwargs):
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self.__dict__["_phase"] = _PureFluid(infile, name, **kwargs)
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self.__dict__["_phase"] = _PureFluid(infile, name, yaml=yaml, **kwargs)
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@common_properties@
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@common_properties@
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@property
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@copy_doc
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@ -135,12 +105,12 @@ class PureFluid:
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f"Value {value!r} must be an instance of a pint.Quantity class"
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) from None
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else:
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raise # pragma: no cover
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raise
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else:
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Q = self.Q.magnitude
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self._phase.Q = Q
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@thermophase_properties@
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@thermophase_properties@
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@property
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@copy_doc
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@ -150,7 +120,6 @@ class PureFluid:
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@TPQ.setter
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def TPQ(self, value):
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msg = "Value {value!r} must be an instance of a pint.Quantity class"
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T = value[0] if value[0] is not None else self.T
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P = value[1] if value[1] is not None else self.P
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Q = value[2] if value[2] is not None else self.Q
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@ -159,12 +128,14 @@ class PureFluid:
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val.ito(unit)
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except AttributeError as e:
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if "'ito'" in str(e):
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raise CanteraError(msg.format(value=val)) from None
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raise CanteraError(
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f"Value {val!r} must be an instance of a pint.Quantity class"
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) from None
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else:
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raise # pragma: no cover
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raise
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self._phase.TPQ = T.magnitude, P.magnitude, Q.magnitude
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@purefluid_properties@
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@purefluid_properties@
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PureFluid.__doc__ = f"{PureFluid.__doc__}\n{_PureFluid.__doc__}"
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@ -1,5 +1,7 @@
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"""
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Isentropic, adiabatic flow example - calculate area ratio vs. Mach number curve
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Isentropic, adiabatic flow example - calculate area ratio vs. Mach number curve.
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Uses the pint library to include customized units in the calculation.
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Requires: Cantera >= 3.0.0, pint
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Keywords: thermodynamics, compressible flow, units
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@ -10,7 +12,7 @@ import numpy as np
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# This sets the default output format of the units to have 2 significant digits
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# and the units are printed with a Unicode font. See:
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# https://pint.readthedocs.io/en/stable/formatting.html#unit-format-types
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# https://pint.readthedocs.io/en/stable/user/formatting.html
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ctu.units.default_format = ".2F~P"
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@ -18,8 +20,8 @@ def soundspeed(gas):
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"""The speed of sound. Assumes an ideal gas."""
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gamma = gas.cp / gas.cv
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return np.sqrt(gamma * ctu.units.molar_gas_constant
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* gas.T / gas.mean_molecular_weight).to("m/s")
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specific_gas_constant = ctu.units.molar_gas_constant / gas.mean_molecular_weight
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return np.sqrt(gamma * specific_gas_constant * gas.T).to("m/s")
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def isentropic(gas=None):
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@ -45,7 +47,7 @@ def isentropic(gas=None):
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data = []
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# compute values for a range of pressure ratios
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p_range = np.logspace(-3, 0, 200) * p0
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p_range = np.logspace(-3, 0, 10) * p0
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for p in p_range:
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# set the state using (p,s0)
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@ -1,5 +1,6 @@
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"""
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Compute the "equilibrium" and "frozen" sound speeds for a gas
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Compute the "equilibrium" and "frozen" sound speeds for a gas. Uses the pint library to
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include customized units in the calculation.
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Requires: Cantera >= 3.0.0, pint
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Keywords: thermodynamics, equilibrium, units
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@ -57,7 +58,7 @@ def equilibrium_sound_speeds(gas, rtol=1.0e-6, max_iter=5000):
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if __name__ == "__main__":
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gas = ctu.Solution('gri30.yaml')
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gas.X = 'CH4:1.00, O2:2.0, N2:7.52'
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T_range = np.linspace(80.33, 4760.33, 50) * ctu.units.degF
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T_range = np.linspace(80, 4880, 25) * ctu.units.degF
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print("Temperature Equilibrium Sound Speed Frozen Sound Speed Frozen Sound Speed Check")
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for T in T_range:
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gas.TP = T, 1.0 * ctu.units.atm
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