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fluprodia's Issues

Exception raised when initializing a FluidPropertyDiagram with Ammonia

Issue description

When I try to initialize a FluidPropertyDiagram with Ammonia as the fluid, an exception is raised. The error occurs within the set_isoline_defaults method, while trying to update the AbstractState CoolProp-object created in the beginning of the initialization. The full exception trace back looks like the following:

Traceback (most recent call last):
  File "C:\...\test.py", line 273, in <module>
    diagram = FluidPropertyDiagram(fluid=fluid)
              ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\...\Lib\site-packages\fluprodia\fluid_property_diagram.py", line 270, in __init__
    self.set_isoline_defaults()
  File "C:\...\Lib\site-packages\fluprodia\fluid_property_diagram.py", line 370, in set_isoline_defaults
    self.state.update(CP.PQ_INPUTS, self.p_trip + 1, 0)
  File "CoolProp\AbstractState.pyx", line 102, in CoolProp.CoolProp.AbstractState.update
  File "CoolProp\AbstractState.pyx", line 104, in CoolProp.CoolProp.AbstractState.update
ValueError: options.T is not valid in saturation_P_pure_1D_T

Anaylsis of the Issue

As the issue occurs at the initialization of the FluidPropertyDiagram , I wrote a simple test script to see if any other fluids raise the same exception or if other CoolProp aliases for Ammonia yield a different behavior.

from fluprodia import FluidPropertyDiagram
import json

fluids = [
    "R113", "R114", "R123", "R21", "R142b", "R124", "R365mfc", "SES36",
    "R245ca", "R245fa", "R152a", "R227ea", "R134a", "R1234ze(Z)", "R1234ze(E)",
    "R1234yf", "R1233zd(E)", "Pentane", "Butane", "Isobutane", "PROPYLEN",
    "NOVEC649", "DME", "H2O", "NH3", "R717", "AMMONIA", "ammonia"
    ]

test_results = dict()
for fluid in fluids:
    test_results[fluid] = dict()
    try:
        diagram = FluidPropertyDiagram(fluid=fluid)
        test_results[fluid]["status"] = "working"
    except ValueError as e:
        test_results[fluid]["status"] = "failed"
        test_results[fluid]["error"] = str(e)

with open("test_results.json", "w") as file:
    json.dump(test_results, file, indent=4)

As you can see in the result JSON file, all other tested fluids did not recreate the excpetion. Only Ammonia and all its aliases exhibit the erroneous behavior.

test_results.json 

{
    "R113": {
        "status": "working"
    },
    "R114": {
        "status": "working"
    },
    "R123": {
        "status": "working"
    },
    "R21": {
        "status": "working"
    },
    "R142b": {
        "status": "working"
    },
    "R124": {
        "status": "working"
    },
    "R365mfc": {
        "status": "working"
    },
    "SES36": {
        "status": "working"
    },
    "R245ca": {
        "status": "working"
    },
    "R245fa": {
        "status": "working"
    },
    "R152a": {
        "status": "working"
    },
    "R227ea": {
        "status": "working"
    },
    "R134a": {
        "status": "working"
    },
    "R1234ze(Z)": {
        "status": "working"
    },
    "R1234ze(E)": {
        "status": "working"
    },
    "R1234yf": {
        "status": "working"
    },
    "R1233zd(E)": {
        "status": "working"
    },
    "Pentane": {
        "status": "working"
    },
    "Butane": {
        "status": "working"
    },
    "Isobutane": {
        "status": "working"
    },
    "PROPYLEN": {
        "status": "working"
    },
    "NOVEC649": {
        "status": "working"
    },
    "DME": {
        "status": "working"
    },
    "H2O": {
        "status": "working"
    },
    "NH3": {
        "status": "failed",
        "error": "options.T is not valid in saturation_P_pure_1D_T"
    },
    "R717": {
        "status": "failed",
        "error": "options.T is not valid in saturation_P_pure_1D_T"
    },
    "AMMONIA": {
        "status": "failed",
        "error": "options.T is not valid in saturation_P_pure_1D_T"
    },
    "ammonia": {
        "status": "failed",
        "error": "options.T is not valid in saturation_P_pure_1D_T"
    }
}

User specifications

OS: Windows 10
Virutal Environment through miniforge3
Python: 3.11.0
fluprodia: 1.6 (pip)
CoolProp: 6.4.3.post1 (pip)
numpy: 1.24.1 (conda)
matplotlib: 3.6.2 (conda)

Triple point for abstract class - density out of range issue

I have some code that works great but I'm trying to add in some fluids that are mixtures and am now getting an error from within set_isoline_defaults.

My fluid is defined as:
self.state = CP.AbstractState('REFPROP','R1234yf&R134a'); self.state.set_mole_fractions([0.56,0.44])

And I get this error upon running:

File "/opt/miniconda3/envs/CondaHP/lib/python3.8/site-packages/fluprodia/fluid_property_diagram.py", line 360, in set_isoline_defaults
    self.p_trip = self.state.trivial_keyed_output(CP.iP_triple)
  File "CoolProp/AbstractState.pyx", line 227, in CoolProp.CoolProp.AbstractState.trivial_keyed_output
  File "CoolProp/AbstractState.pyx", line 229, in CoolProp.CoolProp.AbstractState.trivial_keyed_output
ValueError: [TQFLSH error 2] One or more inputs are out of range; Density above upper limit: D = 14.6560 mol/L, Dmax = 14.4635 mol/L.

this works fine when the state is defined as a single fluid:
self.state = CP.AbstractState('HEOS', self.fluid)

It looks like it's not a problem with any of my inputs but something to do with mixtures and triple points. Any ideas how I can get past this? Thanks!

Successful Build ARM64 Android Termux

Using Python 3.9
Modified setup.py to versions currently installed in my python

python_requires='>=3.9',
    install_requires=[
        'CoolProp>=6.4,<7',
        'matplotlib==3.6.0',
        'numpy==1.23.4'
    ]

& modified pyproject.toml

requires = [
    "setuptools==58.1.0",
    "wheel",
    "setuptools_scm==7.0.5",
]

Successful Build ARM64 Android Termux

Using Python 3.9
Modified setup.py to versions currently installed in my python

python_requires='>=3.9',
    install_requires=[
        'CoolProp>=6.4,<7',
        'matplotlib==3.6.0',
        'numpy==1.23.4'
    ]

& modified pyproject.toml

requires = [
    "setuptools==58.1.0",
    "wheel",
    "setuptools_scm==7.0.5",
]

cannot save diagram

Hi, whenever I try to save a diagram I get the following error:

---> [24](vscode-notebook-cell:/g%3A/.shortcut-targets-by-id/1mFf5ldec48ktee-8P2arcKW5E_WRwTWe/Ecalia/Technology/Theory/calculations.ipynb#X16sZmlsZQ%3D%3D?line=23) diagram.save('test.svg')

File [~\AppData\Roaming\Python\Python310\site-packages\fluprodia\fluid_property_diagram.py:500](https://file+.vscode-resource.vscode-cdn.net/g%3A/.shortcut-targets-by-id/1mFf5ldec48ktee-8P2arcKW5E_WRwTWe/Ecalia/Technology/Theory/~/AppData/Roaming/Python/Python310/site-packages/fluprodia/fluid_property_diagram.py:500), in FluidPropertyDiagram.save(self, filename, **kwargs)
    498 self.ax.grid()
    499 plt.tight_layout()
--> 500 self.fig.savefig(filename, **kwargs)

File [~\AppData\Roaming\Python\Python310\site-packages\matplotlib\figure.py:3058](https://file+.vscode-resource.vscode-cdn.net/g%3A/.shortcut-targets-by-id/1mFf5ldec48ktee-8P2arcKW5E_WRwTWe/Ecalia/Technology/Theory/~/AppData/Roaming/Python/Python310/site-packages/matplotlib/figure.py:3058), in Figure.savefig(self, fname, transparent, **kwargs)
   3054     for ax in self.axes:
   3055         stack.enter_context(
   3056             ax.patch._cm_set(facecolor='none', edgecolor='none'))
-> 3058 self.canvas.print_figure(fname, **kwargs)

File [~\AppData\Roaming\Python\Python310\site-packages\matplotlib\backend_bases.py:2319](https://file+.vscode-resource.vscode-cdn.net/g%3A/.shortcut-targets-by-id/1mFf5ldec48ktee-8P2arcKW5E_WRwTWe/Ecalia/Technology/Theory/~/AppData/Roaming/Python/Python310/site-packages/matplotlib/backend_bases.py:2319), in FigureCanvasBase.print_figure(self, filename, dpi, facecolor, edgecolor, orientation, format, bbox_inches, pad_inches, bbox_extra_artists, backend, **kwargs)
   2315 try:
   2316     # _get_renderer may change the figure dpi (as vector formats
   2317     # force the figure dpi to 72), so we need to set it again here.
   2318     with cbook._setattr_cm(self.figure, dpi=dpi):
-> 2319         result = print_method(
   2320             filename,
   2321             facecolor=facecolor,
   2322             edgecolor=edgecolor,
   2323             orientation=orientation,
   2324             bbox_inches_restore=_bbox_inches_restore,
   2325             **kwargs)
   2326 finally:
   2327     if bbox_inches and restore_bbox:

File [~\AppData\Roaming\Python\Python310\site-packages\matplotlib\backend_bases.py:1648](https://file+.vscode-resource.vscode-cdn.net/g%3A/.shortcut-targets-by-id/1mFf5ldec48ktee-8P2arcKW5E_WRwTWe/Ecalia/Technology/Theory/~/AppData/Roaming/Python/Python310/site-packages/matplotlib/backend_bases.py:1648), in _check_savefig_extra_args..wrapper(*args, **kwargs)
   1640     _api.warn_deprecated(
   1641         '3.3', name=name, removal='3.6',
   1642         message='%(name)s() got unexpected keyword argument "'
   1643                 + arg + '" which is no longer supported as of '
   1644                 '%(since)s and will become an error '
   1645                 '%(removal)s')
   1646     kwargs.pop(arg)
-> 1648 return func(*args, **kwargs)

File [~\AppData\Roaming\Python\Python310\site-packages\matplotlib\_api\deprecation.py:389](https://file+.vscode-resource.vscode-cdn.net/g%3A/.shortcut-targets-by-id/1mFf5ldec48ktee-8P2arcKW5E_WRwTWe/Ecalia/Technology/Theory/~/AppData/Roaming/Python/Python310/site-packages/matplotlib/_api/deprecation.py:389), in delete_parameter..wrapper(*inner_args, **inner_kwargs)
    384 @functools.wraps(func)
    385 def wrapper(*inner_args, **inner_kwargs):
    386     if len(inner_args) <= name_idx and name not in inner_kwargs:
    387         # Early return in the simple, non-deprecated case (much faster than
    388         # calling bind()).
--> 389         return func(*inner_args, **inner_kwargs)
    390     arguments = signature.bind(*inner_args, **inner_kwargs).arguments
    391     if is_varargs and arguments.get(name):

File [~\AppData\Roaming\Python\Python310\site-packages\matplotlib\_api\deprecation.py:415](https://file+.vscode-resource.vscode-cdn.net/g%3A/.shortcut-targets-by-id/1mFf5ldec48ktee-8P2arcKW5E_WRwTWe/Ecalia/Technology/Theory/~/AppData/Roaming/Python/Python310/site-packages/matplotlib/_api/deprecation.py:415), in delete_parameter..wrapper(*inner_args, **inner_kwargs)
    405     deprecation_addendum = (
    406         f"If any parameter follows {name!r}, they should be passed as "
    407         f"keyword, not positionally.")
    408     warn_deprecated(
    409         since,
    410         name=repr(name),
   (...)
    413                  else deprecation_addendum,
    414         **kwargs)
--> 415 return func(*inner_args, **inner_kwargs)

File [~\AppData\Roaming\Python\Python310\site-packages\matplotlib\backends\backend_svg.py:1321](https://file+.vscode-resource.vscode-cdn.net/g%3A/.shortcut-targets-by-id/1mFf5ldec48ktee-8P2arcKW5E_WRwTWe/Ecalia/Technology/Theory/~/AppData/Roaming/Python/Python310/site-packages/matplotlib/backends/backend_svg.py:1321), in FigureCanvasSVG.print_svg(self, filename, dpi, bbox_inches_restore, metadata, *args)
   1285 @_check_savefig_extra_args
   1286 @_api.delete_parameter("3.4", "dpi")
   1287 @_api.delete_parameter("3.5", "args")
   1288 def print_svg(self, filename, *args, dpi=None, bbox_inches_restore=None,
   1289               metadata=None):
   1290     """
   1291     Parameters
   1292     ----------
   (...)
   1319         __ DC_
   1320     """
-> 1321     with cbook.open_file_cm(filename, "w", encoding="utf-8") as fh:
   1322         if not cbook.file_requires_unicode(fh):
   1323             fh = codecs.getwriter('utf-8')(fh)

File [~\AppData\Roaming\Python\Python310\site-packages\matplotlib\cbook\__init__.py:465](https://file+.vscode-resource.vscode-cdn.net/g%3A/.shortcut-targets-by-id/1mFf5ldec48ktee-8P2arcKW5E_WRwTWe/Ecalia/Technology/Theory/~/AppData/Roaming/Python/Python310/site-packages/matplotlib/cbook/__init__.py:465), in open_file_cm(path_or_file, mode, encoding)
    463 def open_file_cm(path_or_file, mode="r", encoding=None):
    464     r"""Pass through file objects and context-manage path-likes."""
--> 465     fh, opened = to_filehandle(path_or_file, mode, True, encoding)
    466     return fh if opened else contextlib.nullcontext(fh)

File [~\AppData\Roaming\Python\Python310\site-packages\matplotlib\cbook\__init__.py:451](https://file+.vscode-resource.vscode-cdn.net/g%3A/.shortcut-targets-by-id/1mFf5ldec48ktee-8P2arcKW5E_WRwTWe/Ecalia/Technology/Theory/~/AppData/Roaming/Python/Python310/site-packages/matplotlib/cbook/__init__.py:451), in to_filehandle(fname, flag, return_opened, encoding)
    449         fh = bz2.BZ2File(fname, flag)
    450     else:
--> 451         fh = open(fname, flag, encoding=encoding)
    452     opened = True
    453 elif hasattr(fname, 'seek'):

OSError: [Errno 22] Invalid argument: 'test.svg'

New feature: Draw simple processes

It would be very benefitial, if the user could highlight specific simple processes and draw the respective lines into his diagram. Therefore I suggest the following addition:

  • Add a calc_inidividual_isolines() or draw_individual_isolines() method.
  • The user passes the property of the isoline(s) as well as inlet and outlet state (second property)
  • The method draws the specified isoline into the diagram, coloring, linestyle, etc. can be passed similarly to the linespecs of the diagram lines.
  • The lines are:
    • isenthalps
    • isobars
    • isochors
    • isentropics
    • isotherms
  • The method needs to check
    • whether the input properties are a valid valuepair and
    • whether the starting point and the ending point are at different phases. If this is the case, the intersection with the saturation line(s) must be considered, too.

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