Checking the python code that is distribuited with PLUMED#1375
Checking the python code that is distribuited with PLUMED#1375carlocamilloni merged 3 commits intoplumed:masterfrom
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| data = np.zeros((1)) | ||
| p.cmd("setMemoryForData " + name, data ) | ||
| return data | ||
| xyz = open(filename) |
Check warning
Code scanning / CodeQL
File is not always closed Warning test
| # Read in the correct answers that were calculated directly using PLUMED | ||
| correct_torsions = np.loadtxt("colvar.ref") | ||
| # Open an output file | ||
| of = open("logfile", "w+") |
Check warning
Code scanning / CodeQL
File is not always closed Warning test
| broken_inputs = [] | ||
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| # Create the general pages | ||
| actions = set() |
Check notice
Code scanning / CodeQL
Unused global variable Note
| try: | ||
| plumed.write_pandas(d, "COLVAR_write3") | ||
| self.assertTrue(False) | ||
| except TypeError: |
Check notice
Code scanning / CodeQL
Empty except Note test
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@GiovanniBussi I rebased on master and made the error in the CI more talkative: https://github.com/plumed/plumed2/pull/1375/changes#diff-63e3f2b3f445c0d3a44777089ade0c3265d822ca499cb6421386bead8a168b44 |
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Description
This is a follow up to the changes made with #1372, I just added some check to the code and to the formattation of (most of) the python files, mainly to the tests and to the manual builder, in a way that now it should be easier to follow the changes and can catch some unwanted bugs.
I also updated the changelog, as I should have done before...
Target release
I would like my code to appear in release v2.11
Type of contribution
Copyright
COPYRIGHTfile with the correct license information. Code should be released under an open source license. I also used the commandcd src && ./header.sh mymodulenamein order to make sure the headers of the module are correct.Tests