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Marcello-Sega/pytim

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Showing 713 of 713 total issues

Comparison to false should be 'if cond is false:' or 'if not cond:'
Open

        if interface.do_center == False:  # we need to center
Severity: Minor
Found in pytim/writepdb.py by pep8

Comparison to singletons should use "is" or "is not".

Comparisons to singletons like None should always be done
with "is" or "is not", never the equality operators.

Okay: if arg is not None:
E711: if arg != None:
E711: if None == arg:
E712: if arg == True:
E712: if False == arg:

Also, beware of writing if x when you really mean if x is not None
-- e.g. when testing whether a variable or argument that defaults to
None was set to some other value.  The other value might have a type
(such as a container) that could be false in a boolean context!

Indentation is not a multiple of 4 (comment)
Open

  #  utilities.center(u, oxygens)
Severity: Minor
Found in pytim/examples/example_profile.py by pep8

Use indent_size (PEP8 says 4) spaces per indentation level.

For really old code that you don't want to mess up, you can continue
to use 8-space tabs.

Okay: a = 1
Okay: if a == 0:\n    a = 1
E111:   a = 1
E114:   # a = 1

Okay: for item in items:\n    pass
E112: for item in items:\npass
E115: for item in items:\n# Hi\n    pass

Okay: a = 1\nb = 2
E113: a = 1\n    b = 2
E116: a = 1\n    # b = 2

Line too long (88 > 79 characters)
Open

        """ Compute npts points on the ellipsoid described by the affine parameters T, v
Severity: Minor
Found in pytim/observables/contactangle.py by pep8

Limit all lines to a maximum of 79 characters.

There are still many devices around that are limited to 80 character
lines; plus, limiting windows to 80 characters makes it possible to
have several windows side-by-side.  The default wrapping on such
devices looks ugly.  Therefore, please limit all lines to a maximum
of 79 characters. For flowing long blocks of text (docstrings or
comments), limiting the length to 72 characters is recommended.

Reports error E501.

Line too long (92 > 79 characters)
Open

                               method='nelder-mead', options={'xatol': 1e-8, 'disp': False})
Severity: Minor
Found in pytim/observables/contactangle.py by pep8

Limit all lines to a maximum of 79 characters.

There are still many devices around that are limited to 80 character
lines; plus, limiting windows to 80 characters makes it possible to
have several windows side-by-side.  The default wrapping on such
devices looks ugly.  Therefore, please limit all lines to a maximum
of 79 characters. For flowing long blocks of text (docstrings or
comments), limiting the length to 72 characters is recommended.

Reports error E501.

Trailing whitespace
Open

            :ndarray: a (10,)-ndarray with the polynomial coefficients
Severity: Minor
Found in pytim/observables/contactangle.py by pep8

Trailing whitespace is superfluous.

The warning returned varies on whether the line itself is blank,
for easier filtering for those who want to indent their blank lines.

Okay: spam(1)\n#
W291: spam(1) \n#
W293: class Foo(object):\n    \n    bang = 12

Line too long (99 > 79 characters)
Open

                                     contact angle should be evaluated. Default; 0.0, corresponding
Severity: Minor
Found in pytim/observables/contactangle.py by pep8

Limit all lines to a maximum of 79 characters.

There are still many devices around that are limited to 80 character
lines; plus, limiting windows to 80 characters makes it possible to
have several windows side-by-side.  The default wrapping on such
devices looks ugly.  Therefore, please limit all lines to a maximum
of 79 characters. For flowing long blocks of text (docstrings or
comments), limiting the length to 72 characters is recommended.

Reports error E501.

Line too long (94 > 79 characters)
Open

                                     to the atomic center of the highest atom of the substrate
Severity: Minor
Found in pytim/observables/contactangle.py by pep8

Limit all lines to a maximum of 79 characters.

There are still many devices around that are limited to 80 character
lines; plus, limiting windows to 80 characters makes it possible to
have several windows side-by-side.  The default wrapping on such
devices looks ugly.  Therefore, please limit all lines to a maximum
of 79 characters. For flowing long blocks of text (docstrings or
comments), limiting the length to 72 characters is recommended.

Reports error E501.

Line too long (93 > 79 characters)
Open

             :list      : a list with a tuple (parms,parmsc,theta, rmsd) for each of the bins
Severity: Minor
Found in pytim/observables/contactangle.py by pep8

Limit all lines to a maximum of 79 characters.

There are still many devices around that are limited to 80 character
lines; plus, limiting windows to 80 characters makes it possible to
have several windows side-by-side.  The default wrapping on such
devices looks ugly.  Therefore, please limit all lines to a maximum
of 79 characters. For flowing long blocks of text (docstrings or
comments), limiting the length to 72 characters is recommended.

Reports error E501.

Trailing whitespace
Open

                 theta  : the contact angle as a function of the azimuthal angle phi from phi=0, aligned
Severity: Minor
Found in pytim/observables/contactangle.py by pep8

Trailing whitespace is superfluous.

The warning returned varies on whether the line itself is blank,
for easier filtering for those who want to indent their blank lines.

Okay: spam(1)\n#
W291: spam(1) \n#
W293: class Foo(object):\n    \n    bang = 12

Line too long (80 > 79 characters)
Open

        """ Convert general coefficients (a,b,c,f,g,h,p,q,r,d) of the polynomial
Severity: Minor
Found in pytim/observables/contactangle.py by pep8

Limit all lines to a maximum of 79 characters.

There are still many devices around that are limited to 80 character
lines; plus, limiting windows to 80 characters makes it possible to
have several windows side-by-side.  The default wrapping on such
devices looks ugly.  Therefore, please limit all lines to a maximum
of 79 characters. For flowing long blocks of text (docstrings or
comments), limiting the length to 72 characters is recommended.

Reports error E501.

Line too long (94 > 79 characters)
Open

            : dict                   : a dictionary with the affine matrix and vector, T and v
Severity: Minor
Found in pytim/observables/contactangle.py by pep8

Limit all lines to a maximum of 79 characters.

There are still many devices around that are limited to 80 character
lines; plus, limiting windows to 80 characters makes it possible to
have several windows side-by-side.  The default wrapping on such
devices looks ugly.  Therefore, please limit all lines to a maximum
of 79 characters. For flowing long blocks of text (docstrings or
comments), limiting the length to 72 characters is recommended.

Reports error E501.

Line too long (82 > 79 characters)
Open

            In addition, the quadratic form can be recast to (r-v)^t A' (r-v) = k.
Severity: Minor
Found in pytim/observables/contactangle.py by pep8

Limit all lines to a maximum of 79 characters.

There are still many devices around that are limited to 80 character
lines; plus, limiting windows to 80 characters makes it possible to
have several windows side-by-side.  The default wrapping on such
devices looks ugly.  Therefore, please limit all lines to a maximum
of 79 characters. For flowing long blocks of text (docstrings or
comments), limiting the length to 72 characters is recommended.

Reports error E501.

Line too long (80 > 79 characters)
Open

            Now that k is known, we can recast the equation in the standard form
Severity: Minor
Found in pytim/observables/contactangle.py by pep8

Limit all lines to a maximum of 79 characters.

There are still many devices around that are limited to 80 character
lines; plus, limiting windows to 80 characters makes it possible to
have several windows side-by-side.  The default wrapping on such
devices looks ugly.  Therefore, please limit all lines to a maximum
of 79 characters. For flowing long blocks of text (docstrings or
comments), limiting the length to 72 characters is recommended.

Reports error E501.

Line too long (112 > 79 characters)
Open

    >>> WATERSMALL_TRR = pytim.datafiles.pytim_data.fetch('WATERSMALL_LONG_TRR',tmpdir='./') # doctest:+ELLIPSIS
Severity: Minor
Found in pytim/observables/correlator.py by pep8

Limit all lines to a maximum of 79 characters.

There are still many devices around that are limited to 80 character
lines; plus, limiting windows to 80 characters makes it possible to
have several windows side-by-side.  The default wrapping on such
devices looks ugly.  Therefore, please limit all lines to a maximum
of 79 characters. For flowing long blocks of text (docstrings or
comments), limiting the length to 72 characters is recommended.

Reports error E501.

Over-indented (comment)
Open

                                   # what to pass here ...
Severity: Minor
Found in pytim/observables/distributionfunction.py by pep8

Use indent_size (PEP8 says 4) spaces per indentation level.

For really old code that you don't want to mess up, you can continue
to use 8-space tabs.

Okay: a = 1
Okay: if a == 0:\n    a = 1
E111:   a = 1
E114:   # a = 1

Okay: for item in items:\n    pass
E112: for item in items:\npass
E115: for item in items:\n# Hi\n    pass

Okay: a = 1\nb = 2
E113: a = 1\n    b = 2
E116: a = 1\n    # b = 2

Trailing whitespace
Open

        >>>
Severity: Minor
Found in pytim/observables/free_volume.py by pep8

Trailing whitespace is superfluous.

The warning returned varies on whether the line itself is blank,
for easier filtering for those who want to indent their blank lines.

Okay: spam(1)\n#
W291: spam(1) \n#
W293: class Foo(object):\n    \n    bang = 12

Multiple spaces before operator
Open

        self.molecular_plane_vector  = Orientation(universe,options=options+['normal'])
Severity: Minor
Found in pytim/observables/orientation.py by pep8

Avoid extraneous whitespace around an operator.

Okay: a = 12 + 3
E221: a = 4  + 5
E222: a = 4 +  5
E223: a = 4\t+ 5
E224: a = 4 +\t5

Line too long (84 > 79 characters)
Open

            else: # we still filter out molecules which do not belong to any cluster
Severity: Minor
Found in pytim/interface.py by pep8

Limit all lines to a maximum of 79 characters.

There are still many devices around that are limited to 80 character
lines; plus, limiting windows to 80 characters makes it possible to
have several windows side-by-side.  The default wrapping on such
devices looks ugly.  Therefore, please limit all lines to a maximum
of 79 characters. For flowing long blocks of text (docstrings or
comments), limiting the length to 72 characters is recommended.

Reports error E501.

Line too long (90 > 79 characters)
Open

        >>> # check that using the biggest_cluster_only option without setting cluster_cut
Severity: Minor
Found in pytim/interface.py by pep8

Limit all lines to a maximum of 79 characters.

There are still many devices around that are limited to 80 character
lines; plus, limiting windows to 80 characters makes it possible to
have several windows side-by-side.  The default wrapping on such
devices looks ugly.  Therefore, please limit all lines to a maximum
of 79 characters. For flowing long blocks of text (docstrings or
comments), limiting the length to 72 characters is recommended.

Reports error E501.

Line too long (93 > 79 characters)
Open

        ...     interface = method(u,group=DPC,molecular=False,alpha=2.5,_noextrapoints=True)
Severity: Minor
Found in pytim/interface.py by pep8

Limit all lines to a maximum of 79 characters.

There are still many devices around that are limited to 80 character
lines; plus, limiting windows to 80 characters makes it possible to
have several windows side-by-side.  The default wrapping on such
devices looks ugly.  Therefore, please limit all lines to a maximum
of 79 characters. For flowing long blocks of text (docstrings or
comments), limiting the length to 72 characters is recommended.

Reports error E501.
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