Turn off global allowing of exceptions, granularly enable them on a per-cell basis

a5a256a2 · Ian Bell · 8aa9ca75 · a5a256a2 · a5a256a2
Commit a5a256a2 authored 2 years ago by Ian Bell
--- a/doc/source/conf.py
+++ b/doc/source/conf.py
@@ -32,7 +32,8 @@ subprocess.check_output(f'jupyter nbconvert --version', shell=True)
 for path, dirs, files in os.walk('.'):
    for file in files:
        if file.endswith('.ipynb') and '.ipynb_checkpoints' not in path:
-            subprocess.check_output(f'jupyter nbconvert --ExecutePreprocessor.allow_errors=True --to notebook --output {file} --execute {file}', shell=True, cwd=path)
+            subprocess.check_output(f'jupyter nbconvert  --to notebook --output {file} --execute {file}', shell=True, cwd=path)
+            # --ExecutePreprocessor.allow_errors=True      (this allows you to allow errors globally, but a raises-exception cell tag is better)

 # -- General configuration ---------------------------------------------------


--- a/doc/source/models/multifluid.ipynb
+++ b/doc/source/models/multifluid.ipynb
@@ -298,7 +298,10 @@
     "iopub.status.busy": "2022-07-06T18:40:42.996338Z",
     "iopub.status.idle": "2022-07-06T18:40:43.423368Z",
     "shell.execute_reply": "2022-07-06T18:40:43.422895Z"
-    }
+    },
+    "tags": [
+     "raises-exception"
+    ]
   },
   "outputs": [
    {

 %% Cell type:markdown id: tags:

 # Multi-fluid EOS

 Peering into the innards of teqp

 %% Cell type:code id: tags:

 ``` python
 import timeit, json
 import pandas
 import numpy as np
 import teqp
 teqp.__version__
 ```

 %% Output

    '0.9.2'

 %% Cell type:markdown id: tags:

 ## Pure fluid loading

 %% Cell type:code id: tags:

 ``` python
 # By default teqp looks for fluids relative to the set of fluids in ROOT/dev/fluids
 # The name (case-sensitive) should match the .json file, without the json extension.
 %timeit model = teqp.build_multifluid_model(["Methane", "Ethane"], teqp.get_datapath())
 ```

 %% Output

    12.9 ms ± 4.32 ms per loop (mean ± std. dev. of 7 runs, 100 loops each)

 %% Cell type:code id: tags:

 ``` python
 # And if you provide valid aliases, alias lookup will be used to resolve the name
 # But beware, this is rather a lot slower than the above because all fluid files need to be read
 # in to build the alias map
 %timeit model = teqp.build_multifluid_model(["n-C1H4", "n-C3H8"], teqp.get_datapath())
 ```

 %% Output

    120 ms ± 19.9 ms per loop (mean ± std. dev. of 7 runs, 10 loops each)

 %% Cell type:markdown id: tags:

 So, how to make it faster? Only do it once and cache

 %% Cell type:code id: tags:

 ``` python
 # Here is the set of possible aliases to absolute paths of files
 # Building this map takes a little while (somewhat faster in C++) due to all the file reads
 # If you know your files will not change, good idea to build this alias map yourself.
 %timeit aliasmap = teqp.build_alias_map(teqp.get_datapath())
 aliasmap = teqp.build_alias_map(teqp.get_datapath())
 ```

 %% Output

    85.4 ms ± 12.3 ms per loop (mean ± std. dev. of 7 runs, 10 loops each)

 %% Cell type:code id: tags:

 ``` python
 # Then load the absolute paths from the alias map,
 # which will guarantee that you hit exactly what you were looking for,
 # resolving aliases as needed
 identifiers = [aliasmap[n] for n in ["Neon", "Hydrogen"]]
 %timeit model = teqp.build_multifluid_model(identifiers, teqp.get_datapath())
 ```

 %% Output

    9.9 ms ± 164 µs per loop (mean ± std. dev. of 7 runs, 100 loops each)

 %% Cell type:markdown id: tags:

 At some point soon teqp will support in-memory loading of JSON data for the pure components, without requiring reads from the operating system

 %% Cell type:code id: tags:

 ``` python
 # And you can also load the JSON that teqp is loading for the pure fluids
 pureJSON = teqp.collect_component_json(['NEON','HYDROGEN'], teqp.get_datapath())
 ```

 %% Cell type:markdown id: tags:

 ## Mixture model loading

 %% Cell type:code id: tags:

 ``` python
 # Load the default JSON for the binary interaction parameters
 BIP = json.load(open(teqp.get_datapath()+'/dev/mixtures/mixture_binary_pairs.json'))
 ```

 %% Cell type:code id: tags:

 ``` python
 # You can obtain interaction parameters either by pairs of names, where name is the name that teqp uses, the ["INFO"]["NAME"] field
 params, swap_needed = teqp.get_BIPdep(BIP, ['Methane','Ethane'])
 params
 ```

 %% Output

    {'BibTeX': 'Kunz-JCED-2012',
     'CAS1': '74-82-8',
     'CAS2': '74-84-0',
     'F': 1.0,
     'Name1': 'Methane',
     'Name2': 'Ethane',
     'betaT': 0.996336508,
     'betaV': 0.997547866,
     'function': 'Methane-Ethane',
     'gammaT': 1.049707697,
     'gammaV': 1.006617867}

 %% Cell type:code id: tags:

 ``` python
 # Or also by CAS#
 params, swap_needed = teqp.get_BIPdep(BIP, ['74-82-8','74-84-0'])
 params
 ```

 %% Output

    {'BibTeX': 'Kunz-JCED-2012',
     'CAS1': '74-82-8',
     'CAS2': '74-84-0',
     'F': 1.0,
     'Name1': 'Methane',
     'Name2': 'Ethane',
     'betaT': 0.996336508,
     'betaV': 0.997547866,
     'function': 'Methane-Ethane',
     'gammaT': 1.049707697,
     'gammaV': 1.006617867}

-%% Cell type:code id: tags:
+%% Cell type:code id: tags:raises-exception

 ``` python
 # But mixing is not allowed
 params, swap_needed = teqp.get_BIPdep(BIP, ['74-82-8','Ethane'])
 params
 ```

 %% Output

    ---------------------------------------------------------------------------
    ValueError                                Traceback (most recent call last)
 Input     In [10], in <cell line: 2>()
          1 # But mixing is not allowed
    ----> 2 params, swap_needed = teqp.get_BIPdep(BIP, ['74-82-8','Ethane'])
          3 params
    ValueError: Can't match the binary pair for: 74-82-8/Ethane