Skip to content

Commit

Permalink
Move building the units interface to a Scons extension
Browse files Browse the repository at this point in the history
  • Loading branch information
@bryanwweber @speth
bryanwweber authored and speth committed Apr 25, 2023
1 parent a6be9cf commit 2208984
Show file tree
Hide file tree
Showing 5 changed files with 257 additions and 227 deletions.
2 changes: 1 addition & 1 deletion SConstruct
View file
Expand Up @@ -813,7 +813,7 @@ else:
config.add(config_options)
toolchain = ["default"]

env = Environment(tools=toolchain+["textfile", "subst", "recursiveInstall", "wix", "gch"],
env = Environment(tools=toolchain+["textfile", "subst", "recursiveInstall", "UnitsInterfaceBuilder", "wix", "gch"],
ENV={"PATH": os.environ["PATH"]},
toolchain=toolchain,
**extraEnvArgs)
Expand Down
229 changes: 3 additions & 226 deletions interfaces/cython/SConscript
View file
Expand Up @@ -58,7 +58,7 @@ for pyxfile in multi_glob(localenv, "cantera", "pyx"):
cython_obj.append(obj)

copy_header = localenv.Command('#src/extensions/delegator.h', '#build/python/cantera/delegator.h',
Copy('$TARGET', '$SOURCE'))
Copy('$TARGET', '$SOURCE'))
ext_manager = localenv.SharedObject("#src/extensions/PythonExtensionManager.cpp")

cython_obj.extend(ext_manager)
Expand Down Expand Up @@ -106,233 +106,10 @@ else:
localenv.Depends(ext, localenv['cantera_shlib'])

for f in (multi_glob(localenv, 'cantera', 'py') +
multi_glob(localenv, 'cantera/*', 'py', 'in')):
multi_glob(localenv, 'cantera/*', 'py')):
localenv.Depends(mod, f)

UNITS = {
"cp_mass": '"J/kg/K"', "cp_mole": '"J/kmol/K"', "cv_mass": '"J/kg/K"',
"cv_mole": '"J/kmol/K"', "density_mass": '"kg/m**3"', "density_mole": '"kmol/m**3"',
"enthalpy_mass": '"J/kg"', "enthalpy_mole": '"J/kmol"', "entropy_mass": '"J/kg/K"',
"entropy_mole": '"J/kmol/K"', "gibbs_mass": '"J/kg"', "gibbs_mole": '"J/kmol"',
"int_energy_mass": '"J/kg"', "int_energy_mole": '"J/kmol"',
"volume_mass": '"m**3/kg"', "volume_mole": '"m**3/kmol"', "T": '"K"', "P": '"Pa"',
"X": '"dimensionless"', "Y": '"dimensionless"', "Q": '"dimensionless"',
"cp": '"J/K/" + self.basis_units', "cv": '"J/K/" + self.basis_units',
"density": 'self.basis_units + "/m**3"', "h": '"J/" + self.basis_units',
"s": '"J/K/" + self.basis_units', "g": '"J/" + self.basis_units',
"u": '"J/" + self.basis_units', "v": '"m**3/" + self.basis_units',
"H": '"J/" + self.basis_units', "V": '"m**3/" + self.basis_units',
"S": '"J/K/" + self.basis_units', "D": 'self.basis_units + "/m**3"',
"U": '"J/" + self.basis_units', "P_sat": '"Pa"', "T_sat": '"K"',
"atomic_weight": '"kg/kmol"', "chemical_potentials": '"J/kmol"',
"concentrations": '"kmol/m**3"', "critical_pressure": '"Pa"',
"critical_temperature": '"K"', "critical_density": 'self.basis_units + "/m**3"',
"electric_potential": '"V"', "electrochemical_potentials": '"J/kmol"',
"isothermal_compressibility": '"1/Pa"', "max_temp": '"K"',
"mean_molecular_weight": '"kg/kmol"', "min_temp": '"K"',
"molecular_weights": '"kg/kmol"', "partial_molar_cp": '"J/kmol/K"',
"partial_molar_enthalpies": '"J/kmol"', "partial_molar_entropies": '"J/kmol/K"',
"partial_molar_int_energies": '"J/kmol"', "partial_molar_volumes": '"m**3/kmol"',
"reference_pressure": '"Pa"', "thermal_expansion_coeff": '"1/K"'
}

SYMBOL = {
"T": "T", "P": "P", "D": "density", "H": "h", "S": "s",
"V": "v", "U": "u", "Q": "Q", "X": "X", "Y": "Y"
}

getter_properties = [
"density_mass", "density_mole", "enthalpy_mass", "enthalpy_mole", "entropy_mass",
"entropy_mole", "int_energy_mass", "int_energy_mole", "volume_mass", "volume_mole",
"gibbs_mass", "gibbs_mole", "cp_mass", "cp_mole", "cv_mass", "cv_mole", "P",
"P_sat", "T", "T_sat", "atomic_weight", "chemical_potentials", "concentrations",
"critical_pressure", "critical_temperature", "critical_density",
"electric_potential", "electrochemical_potentials", "isothermal_compressibility",
"max_temp", "mean_molecular_weight", "min_temp", "molecular_weights",
"partial_molar_cp", "partial_molar_enthalpies", "partial_molar_entropies",
"partial_molar_int_energies", "partial_molar_volumes", "reference_pressure",
"thermal_expansion_coeff", "cp", "cv", "density", "h", "s", "g", "u", "v",
]

getter_template = Template("""
@property
@copy_doc
def ${name}(self):
return Q_(self._phase.${name}, ${units})
""")

thermophase_getters = []
for name in getter_properties:
thermophase_getters.append(getter_template.substitute(name=name, units=UNITS[name]))

setter_2_template = Template("""
@property
@copy_doc
def ${name}(self):
${n0}, ${n1} = self._phase.${name}
return Q_(${n0}, ${u0}), Q_(${n1}, ${u1})
@${name}.setter
def ${name}(self, value):
${n0} = value[0] if value[0] is not None else self.${n0}
${n1} = value[1] if value[1] is not None else self.${n1}
for val, unit in ((${n0}, ${u0}), (${n1}, ${u1})):
try:
val.ito(unit)
except AttributeError as e:
if "'ito'" in str(e):
raise CanteraError(
f"Value {val!r} must be an instance of a pint.Quantity class"
) from None
else:
raise # pragma: no cover
self._phase.${name} = ${n0}.magnitude, ${n1}.magnitude
""")

tp_setter_2_properties = ["TP", "DP", "HP", "SP", "SV", "TD", "UV"]
pf_setter_2_properties = ["PQ", "TQ", "PV", "SH", "ST", "TH", "TV", "UP", "VH"]

thermophase_2_setters = []
for name in tp_setter_2_properties:
d = dict(name=name, n0=SYMBOL[name[0]], u0=UNITS[name[0]], n1=SYMBOL[name[1]],
u1=UNITS[name[1]])
thermophase_2_setters.append(setter_2_template.substitute(d))

purefluid_2_setters = []
for name in pf_setter_2_properties:
d = dict(name=name, n0=SYMBOL[name[0]], u0=UNITS[name[0]], n1=SYMBOL[name[1]],
u1=UNITS[name[1]])
purefluid_2_setters.append(setter_2_template.substitute(d))

setter_3_template = Template("""
@property
@copy_doc
def ${name}(self):
${n0}, ${n1}, ${n2} = self._phase.${name}
return Q_(${n0}, ${u0}), Q_(${n1}, ${u1}), Q_(${n2}, ${u2})
@${name}.setter
def ${name}(self, value):
${n0} = value[0] if value[0] is not None else self.${n0}
${n1} = value[1] if value[1] is not None else self.${n1}
for val, unit in ((${n0}, ${u0}), (${n1}, ${u1})):
try:
val.ito(unit)
except AttributeError as e:
if "'ito'" in str(e):
raise CanteraError(
f"Value {val!r} must be an instance of a pint.Quantity class"
) from None
else:
raise # pragma: no cover
if value[2] is not None:
try:
${n2} = value[2].to(${u2}).magnitude
except AttributeError:
${n2} = value[2]
else:
${n2} = self.${n2}.magnitude
self._phase.${name} = ${n0}.magnitude, ${n1}.magnitude, ${n2}
""")

tp_setter_3_properties = [
"TPX", "TPY", "DPX", "DPY", "HPX", "HPY", "SPX", "SPY", "SVX", "SVY", "TDX", "TDY",
"UVX", "UVY"
]

thermophase_3_setters = []
for name in tp_setter_3_properties:
d = dict(name=name, n0=SYMBOL[name[0]], u0=UNITS[name[0]], n1=SYMBOL[name[1]],
u1=UNITS[name[1]], n2=SYMBOL[name[2]], u2=UNITS[name[2]])
thermophase_3_setters.append(setter_3_template.substitute(d))

getter_3_template = Template("""
@property
@copy_doc
def ${name}(self):
${n0}, ${n1}, ${n2} = self._phase.${name}
return Q_(${n0}, ${u0}), Q_(${n1}, ${u1}), Q_(${n2}, ${u2})
""")

pf_getter_3_properties = ["DPQ", "HPQ", "SPQ", "SVQ", "TDQ", "UVQ"]

purefluid_3_getters = []
for name in pf_getter_3_properties:
d = dict(name=name, n0=name[0], u0=UNITS[name[0]], n1=name[1], u1=UNITS[name[1]],
n2=name[2], u2=UNITS[name[2]])
purefluid_3_getters.append(getter_3_template.substitute(d))


def recursive_join(*args, joiner=""):
result = ""
for arg in args:
result = result + joiner.join(arg)
return result


thermophase_properties = recursive_join(thermophase_getters, thermophase_2_setters,
thermophase_3_setters)
purefluid_properties = recursive_join(purefluid_2_setters, purefluid_3_getters)

common_properties = """
def __getattr__(self, name):
return getattr(self._phase, name)
def __setattr__(self, name, value):
if name in dir(self):
object.__setattr__(self, name, value)
else:
setattr(self._phase, name, value)
@property
def basis_units(self):
\"\"\"The units associated with the mass/molar basis of this phase.\"\"\"
if self._phase.basis == "mass":
return "kg"
else:
return "kmol"
@property
@copy_doc
def X(self):
\"\"\"If an array is used for setting, the units must be dimensionless.\"\"\"
X = self._phase.X
return Q_(X, "dimensionless")
@X.setter
def X(self, value):
if value is not None:
try:
X = value.to("dimensionless").magnitude
except AttributeError:
X = value
else:
X = self.X.magnitude
self._phase.X = X
@property
@copy_doc
def Y(self):
\"\"\"If an array is used for setting, the units must be dimensionless.\"\"\"
Y = self._phase.Y
return Q_(Y, "dimensionless")
@Y.setter
def Y(self, value):
if value is not None:
try:
Y = value.to("dimensionless").magnitude
except AttributeError:
Y = value
else:
Y = self.Y.magnitude
self._phase.Y = Y
"""

localenv["common_properties"] = common_properties.strip()
localenv["thermophase_properties"] = thermophase_properties.strip()
localenv["purefluid_properties"] = purefluid_properties.strip()
units = localenv.SubstFile(
units = localenv.UnitsInterfaceBuilder(
"cantera/with_units/solution.py",
"cantera/with_units/solution.py.in",
)
Expand Down
4 changes: 4 additions & 0 deletions interfaces/python_sdist/SConscript
View file
Expand Up @@ -159,6 +159,10 @@ config_h_in_target = sdist(localenv.Command(
config_builder,
))

sdist(localenv.UnitsInterfaceBuilder(
"cantera/with_units/solution.py",
"#interfaces/cython/cantera/with_units/solution.py.in",
))
# Use RecursiveInstall to make sure that files are not overwritten during the copy.
# A normal Copy Action would fail because of the existing directories.
sdist(localenv.RecursiveInstall("cantera",
Expand Down
1 change: 1 addition & 0 deletions interfaces/python_sdist/setup.cfg.in
View file
Expand Up @@ -61,6 +61,7 @@ cantera = *.cpp, *.h, *.pyx

[options.extras_require]
pandas = pandas
units = pint

[options.entry_points]
console_scripts =
Expand Down

0 comments on commit 2208984

Please sign in to comment.