Add validation to module name #49

mimischi · 2018-02-24T18:59:12Z

Changes made in this pull request:

Added check of module name to mdbenchmark.generate. When given a module name, we try to find it on the system. Users can skip validation with --skip-validation.
Added --skip-validation option to mdbenchmark.generate.
Resolves Generate Function Arguments #47.

PR Checklist

Added unit / integration tests.
Added changelog fragment in ./changelog/ (more information)?
~~[ ] Issue raised/referenced?~~

mimischi · 2018-02-28T09:38:52Z

mdbenchmark/generate.py

+        # If we are unable to find the modules path on the system or if the
+        # user told us to skip the validation, we do so.
+        if (validated_module is None) or skip_validation:
+            console.warn('Not performing module name validation.')


This warning will be printed for every module that we define. We probably should put this outside the for-loop so it is only printed once.

codecov · 2018-02-28T10:05:42Z

Codecov Report

Merging #49 into master will increase coverage by 2.29%.
The diff coverage is 100%.

@@            Coverage Diff             @@
##           master      #49      +/-   ##
==========================================
+ Coverage   87.06%   89.35%   +2.29%     
==========================================
  Files          11       11              
  Lines         456      526      +70     
==========================================
+ Hits          397      470      +73     
+ Misses         59       56       -3

Impacted Files	Coverage Δ
mdbenchmark/mdengines/__init__.py	`100% <100%> (ø)`	⬆️
mdbenchmark/utils.py	`98.24% <100%> (-0.09%)`	⬇️
mdbenchmark/generate.py	`100% <100%> (+4.16%)`	⬆️
mdbenchmark/submit.py	`97.56% <0%> (+2.43%)`	⬆️

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mimischi · 2018-02-28T10:07:49Z

mdbenchmark/generate.py

+        if (validated_module is None) or skip_validation:
+            console.warn('Not performing module name validation.')
+        # If the validation fails, we throw an error and exit the script.
+        elif not validated_module:


We currently do not test this case.

mimischi · 2018-03-01T16:01:28Z

@kain88-de Any thoughts? Besides my two comments, this PR is feature complete.

We could think about moving the code from mdbenchmark/validate.py to mdbenchmark/mdengines/__init__.py where it would live with detect_md_engine().

kain88-de · 2018-03-01T20:47:45Z

mdbenchmark/validate.py

+
+from . import console
+
+SUPPORTED_MDENGINES = ('gromacs', 'namd')


rather get that variable from a definition in the mdengines module. Right now we need to maintain a list of supported engines in two places.

kain88-de · 2018-03-01T21:07:20Z

mdbenchmark/generate.py

@@ -103,10 +115,40 @@ def generate(name, gpu, module, host, min_nodes, max_nodes, time, list_hosts):
            'If you use the {} option make sure you use the GPU compatible NAMD module!',
            '--gpu')

+    # Grab list of all available and supported modules
+    available_modules = get_available_modules()


why not filter the list modules here?

Do you mean we should duplicate the for m in module: code? Otherwise we cannot do the validation of module names, as we need to iterate through the list.

modules = [m for m in modules if m in available_modules]

Now all modules are actually available. If you want to warn the user for missing ones you can so

requested_modules = set(modules) modules = [...] if requested_modules.difference(modules): console.warn(" {} are not available modules".format(requested_modules.difference(modules))

This if-clause should only be activated if the difference is not empty. If it is empty all modules are available.

mimischi · 2018-03-13T14:16:21Z

@kain88-de What is wrong with failing tests on python 2.7? What's wrong about that import statement?

mimischi · 2018-03-18T18:39:37Z

This became way bigger than anticipated. I've done a few things in the latest commits:

Extracted all argument validation for the generate CLI command into a new validate.py. This way we can test the exceptions separately in test_validate.py.
- Also this cuts down on the size of the generate function.
Added a new module name validation block inside thegenerate function.
1. It first checks whether the requested MD engine is supported. Throws an error if not.
2. Then it grabs all available modules and compares them to the requested ones.
3. It then throws an error for all modules that it could not find and shows all available options to the user.

Several things that we could consider:

Refactor the module name validation into some different file. Eithervalidate.py or mdengines/__init__.py or create another mdengines/validate.py.
Change the style on how we inform the user. The current messages are pretty repetitive and pretty verbose. This could use some styling.
Add / update docstrings of the functions. I think there are some dangling docstrings that I edited, but never finished. Also some of our older functions do not have any docstrings at all.
Finally clean up the tests. I really do not like the state of our tests, but I'm too inexperienced with the intricacies of pytest to use it to its full extent. I'm sure we can cut down on some of the spaghetti code, e.g. here and here. Lots of test code is repetitive (e.g., calls to cli_runner could probably be cut-down with some custom fixture?).

kain88-de · 2018-03-18T20:03:11Z

Sorry about closing this. That was an error

mimischi · 2018-03-26T22:09:30Z

~~How is one supposed to test the callback functions?~~ Nevermind. Found this example in the Flask code base, via SO:

def test_get_version(test_apps, capsys):
    """Test of get_version."""
    from flask import __version__ as flask_ver
    from sys import version as py_ver

    class MockCtx(object):
        resilient_parsing = False
        color = None

        def exit(self): return

    ctx = MockCtx()
    get_version(ctx, None, "test")
    out, err = capsys.readouterr()
    assert flask_ver in out
    assert py_ver in out

mimischi · 2018-04-03T15:05:49Z

Phew. Refactoring code after the last merge wasn't as exciting as I was hoping for. Everything should be working now.

I still want to make sure that we are testing everything correctly. Quickly went through the CLI manually and found a major bug which I now fixed. When I've finished that, this should finally be ready to merge.

kain88-de · 2018-04-03T15:07:34Z

you can remove the validation tests and clean up the history a bit.

mimischi · 2018-04-03T15:09:53Z

Which validation tests? The contents of test_validate.py? I would keep those, because we want to make sure that we throw the expected error messages.

kain88-de · 2018-04-03T15:12:08Z

or move them to the appropriate files. There is no file called validate.py

mimischi · 2018-04-03T20:03:23Z

The PR is done. @kain88-de I assume we should keep the merge and just squash the commits in between, right?

kain88-de

LGTM besides the one minor issue.

About squashing. You can squash as much as you like. With the merge commit, you have to be careful git doesn't like rebasing them very much.

kain88-de · 2018-04-04T06:58:36Z

mdbenchmark/tests/test_generate.py

 from mdbenchmark import cli
 from mdbenchmark.ext.click_test import cli_runner
+from mdbenchmark.generate import (validate_hosts, validate_module,
+                                  validate_name, validate_number_of_nodes)
+from mdbenchmark.mdengines import normalize_modules


this last function should be tested in test_mdengines

It is currently not directly tested in this module either

* Move validation into callbacks

* Fix import errors * Add fixture to mock context * Move skip_validation check into normalize_modules method. This fixes a bug, when providing an unsupported MD engine and the `--skip-validation` option at the same time. * Add docstrings * Added some missing tests in other parts of the module

mimischi force-pushed the validation branch from c645fca to a1b481d Compare February 24, 2018 18:59

mimischi mentioned this pull request Feb 27, 2018

Add NAMD benchmark functionality #29

Merged

mimischi force-pushed the validation branch 3 times, most recently from 0435fa7 to 2d7fe4b Compare February 28, 2018 09:36

mimischi commented Feb 28, 2018

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mimischi force-pushed the validation branch from 2d7fe4b to 3728893 Compare February 28, 2018 09:55

mimischi commented Feb 28, 2018

View reviewed changes

kain88-de reviewed Mar 1, 2018

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mimischi force-pushed the validation branch from ff3a88e to c580d55 Compare March 13, 2018 13:42

mimischi mentioned this pull request Mar 18, 2018

Fix filename bug #54

Merged

3 tasks

mimischi force-pushed the validation branch from 8738b62 to 5d3dff1 Compare March 18, 2018 18:30

kain88-de closed this Mar 18, 2018

kain88-de deleted the validation branch March 18, 2018 19:00

kain88-de restored the validation branch March 18, 2018 20:03

kain88-de reopened this Mar 18, 2018

kain88-de approved these changes Apr 4, 2018

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mimischi mentioned this pull request Apr 4, 2018

Generate Function Arguments #47

Closed

mimischi changed the title ~~[WIP] Add validation to module name~~ Add validation to module name Apr 8, 2018

mimischi force-pushed the validation branch 2 times, most recently from c243611 to af92fc5 Compare April 8, 2018 12:57

mimischi and others added 4 commits April 8, 2018 14:59

Add validation of module names

4ae74dd

Refactored code.

dce46a5

* Move validation into callbacks

Add changelog fragment

67a3045

mimischi force-pushed the validation branch from af92fc5 to 67a3045 Compare April 8, 2018 12:59

mimischi merged commit 678836e into master Apr 8, 2018

mimischi deleted the validation branch April 8, 2018 13:07

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Add validation to module name #49

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		from . import console

		SUPPORTED_MDENGINES = ('gromacs', 'namd')

Add validation to module name #49

Add validation to module name #49

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