Marcello-Sega/pytim

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Line too long (96 > 79 characters)
Open

WATER_DROPLET_CYLINDRICAL_GRO = resource_filename('pytim', 'data/water_droplet_cylindrical.gro')
Severity: Minor
Found in pytim/datafiles/__init__.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 (95 > 79 characters)
Open

            >>> WATERSMALL_TRR = pytim.datafiles.pytim_data.fetch('WATERSMALL_TRR',tmpdir='./')
Severity: Minor
Found in pytim/datafiles/__init__.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 (88 > 79 characters)
Open

    >>> interface = pytim.ITIM(u,alpha=2.,group=oxygens,cluster_cut=3.5,molecular=False)
Severity: Minor
Found in pytim/observables/rdf.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.

Do not use bare 'except'
Open

        except:
Severity: Minor
Found in pytim/observables/rdf.py by pep8

When catching exceptions, mention specific exceptions when possible.

Okay: except Exception:
Okay: except BaseException:
E722: except:

Line too long (84 > 79 characters)
Open

    "METHANOL_GRO",  # methanol/vapour interface with molecules in the  vapour phase
Severity: Minor
Found in pytim/datafiles/__init__.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.

Block comment should start with '# '
Open

        #labels = [label for label, val in self.type.iteritems() if val == name]
Severity: Minor
Found in pytim/datafiles/__init__.py by pep8

Separate inline comments by at least two spaces.

An inline comment is a comment on the same line as a statement.
Inline comments should be separated by at least two spaces from the
statement. They should start with a # and a single space.

Each line of a block comment starts with a # and a single space
(unless it is indented text inside the comment).

Okay: x = x + 1  # Increment x
Okay: x = x + 1    # Increment x
Okay: # Block comment
E261: x = x + 1 # Increment x
E262: x = x + 1  #Increment x
E262: x = x + 1  #  Increment x
E265: #Block comment
E266: ### Block comment

Line too long (90 > 79 characters)
Open

            checking presence of a cached copy... not found. Fetching remote file... done.
Severity: Minor
Found in pytim/datafiles/__init__.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.

TODO found
Open

    # TODO: does this belong here ?
Severity: Minor
Found in pytim/interface.py by fixme

TODO found
Open

    # TODO: add proper whole-molecule reconstruction
Severity: Minor
Found in pytim/observables/observable.py by fixme

TODO found
Open

        # TODO: implement progressive averaging to handle very long trajs
Severity: Minor
Found in pytim/observables/profile.py by fixme

TODO found
Open

        # TODO: implement memory cleanup
Severity: Minor
Found in pytim/observables/profile.py by fixme

TODO found
Open

        # TODO handle optional atomic_numbers
Severity: Minor
Found in pytim/willard_chandler.py by fixme

TODO found
Open

        # TODO write a version that does not depend on passing an AtomGroup
Severity: Minor
Found in pytim/observables/local_frame.py by fixme

TODO found
Open

            # TODO: extend for histogram and stored
Severity: Minor
Found in pytim/observables/contactangle.py by fixme

TODO found
Open

                  # distribution function. TODO update this when needed

TODO found
Open

                # TODO: handle kwargs...

TODO found
Open

        # TODO this is not a mask...should we change the name?
Severity: Minor
Found in pytim/observables/observable.py by fixme

TODO found
Open

        # TODO generalise to set of points?

TODO found
Open

            pass  # TODO implement the 2d histogram
Severity: Minor
Found in pytim/observables/contactangle.py by fixme

TODO found
Open

        x, y, z = self._select_coords(use, bins=bins)  # TODO FIXME
Severity: Minor
Found in pytim/observables/contactangle.py by fixme
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