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pytim/observables/distributionfunction.py

Summary

Maintainability
F
4 days
Test Coverage

Function _set_default_values has a Cognitive Complexity of 38 (exceeds 5 allowed). Consider refactoring.
Open

    def _set_default_values(self, generalized_coordinate, max_distance, nbins):

        self.dimensions = np.asarray(self.coords_in).shape[0]
        self.dimensions_out = np.asarray(self.coords_out).shape[0]
        self.generalized_coordinate = generalized_coordinate
Severity: Minor
Found in pytim/observables/distributionfunction.py - About 5 hrs to fix

Cognitive Complexity

Cognitive Complexity is a measure of how difficult a unit of code is to intuitively understand. Unlike Cyclomatic Complexity, which determines how difficult your code will be to test, Cognitive Complexity tells you how difficult your code will be to read and comprehend.

A method's cognitive complexity is based on a few simple rules:

  • Code is not considered more complex when it uses shorthand that the language provides for collapsing multiple statements into one
  • Code is considered more complex for each "break in the linear flow of the code"
  • Code is considered more complex when "flow breaking structures are nested"

Further reading

Cyclomatic complexity is too high in method _set_default_values. (25)
Open

    def _set_default_values(self, generalized_coordinate, max_distance, nbins):

        self.dimensions = np.asarray(self.coords_in).shape[0]
        self.dimensions_out = np.asarray(self.coords_out).shape[0]
        self.generalized_coordinate = generalized_coordinate
Severity: Minor
Found in pytim/observables/distributionfunction.py by radon

Cyclomatic Complexity

Cyclomatic Complexity corresponds to the number of decisions a block of code contains plus 1. This number (also called McCabe number) is equal to the number of linearly independent paths through the code. This number can be used as a guide when testing conditional logic in blocks.

Radon analyzes the AST tree of a Python program to compute Cyclomatic Complexity. Statements have the following effects on Cyclomatic Complexity:

Construct Effect on CC Reasoning
if +1 An if statement is a single decision.
elif +1 The elif statement adds another decision.
else +0 The else statement does not cause a new decision. The decision is at the if.
for +1 There is a decision at the start of the loop.
while +1 There is a decision at the while statement.
except +1 Each except branch adds a new conditional path of execution.
finally +0 The finally block is unconditionally executed.
with +1 The with statement roughly corresponds to a try/except block (see PEP 343 for details).
assert +1 The assert statement internally roughly equals a conditional statement.
Comprehension +1 A list/set/dict comprehension of generator expression is equivalent to a for loop.
Boolean Operator +1 Every boolean operator (and, or) adds a decision point.

Source: http://radon.readthedocs.org/en/latest/intro.html

Cyclomatic complexity is too high in method sample. (15)
Open

    def sample(self, g1=None, g2=None, kargs1=None, kargs2=None):
        kargs1 = kargs1 or {}
        kargs2 = kargs2 or {}
        self.n_frames += 1
        self.g2 = g2
Severity: Minor
Found in pytim/observables/distributionfunction.py by radon

Cyclomatic Complexity

Cyclomatic Complexity corresponds to the number of decisions a block of code contains plus 1. This number (also called McCabe number) is equal to the number of linearly independent paths through the code. This number can be used as a guide when testing conditional logic in blocks.

Radon analyzes the AST tree of a Python program to compute Cyclomatic Complexity. Statements have the following effects on Cyclomatic Complexity:

Construct Effect on CC Reasoning
if +1 An if statement is a single decision.
elif +1 The elif statement adds another decision.
else +0 The else statement does not cause a new decision. The decision is at the if.
for +1 There is a decision at the start of the loop.
while +1 There is a decision at the while statement.
except +1 Each except branch adds a new conditional path of execution.
finally +0 The finally block is unconditionally executed.
with +1 The with statement roughly corresponds to a try/except block (see PEP 343 for details).
assert +1 The assert statement internally roughly equals a conditional statement.
Comprehension +1 A list/set/dict comprehension of generator expression is equivalent to a for loop.
Boolean Operator +1 Every boolean operator (and, or) adds a decision point.

Source: http://radon.readthedocs.org/en/latest/intro.html

Cyclomatic complexity is too high in class DistributionFunction. (10)
Open

class DistributionFunction(object):
    r"""Calculates a 3d distribution function of some observable from two
    groups.

    The two functions must return an array (of scalars or of vectors)
Severity: Minor
Found in pytim/observables/distributionfunction.py by radon

Cyclomatic Complexity

Cyclomatic Complexity corresponds to the number of decisions a block of code contains plus 1. This number (also called McCabe number) is equal to the number of linearly independent paths through the code. This number can be used as a guide when testing conditional logic in blocks.

Radon analyzes the AST tree of a Python program to compute Cyclomatic Complexity. Statements have the following effects on Cyclomatic Complexity:

Construct Effect on CC Reasoning
if +1 An if statement is a single decision.
elif +1 The elif statement adds another decision.
else +0 The else statement does not cause a new decision. The decision is at the if.
for +1 There is a decision at the start of the loop.
while +1 There is a decision at the while statement.
except +1 Each except branch adds a new conditional path of execution.
finally +0 The finally block is unconditionally executed.
with +1 The with statement roughly corresponds to a try/except block (see PEP 343 for details).
assert +1 The assert statement internally roughly equals a conditional statement.
Comprehension +1 A list/set/dict comprehension of generator expression is equivalent to a for loop.
Boolean Operator +1 Every boolean operator (and, or) adds a decision point.

Source: http://radon.readthedocs.org/en/latest/intro.html

Function sample has a Cognitive Complexity of 17 (exceeds 5 allowed). Consider refactoring.
Open

    def sample(self, g1=None, g2=None, kargs1=None, kargs2=None):
        kargs1 = kargs1 or {}
        kargs2 = kargs2 or {}
        self.n_frames += 1
        self.g2 = g2
Severity: Minor
Found in pytim/observables/distributionfunction.py - About 2 hrs to fix

Cognitive Complexity

Cognitive Complexity is a measure of how difficult a unit of code is to intuitively understand. Unlike Cyclomatic Complexity, which determines how difficult your code will be to test, Cognitive Complexity tells you how difficult your code will be to read and comprehend.

A method's cognitive complexity is based on a few simple rules:

  • Code is not considered more complex when it uses shorthand that the language provides for collapsing multiple statements into one
  • Code is considered more complex for each "break in the linear flow of the code"
  • Code is considered more complex when "flow breaking structures are nested"

Further reading

File distributionfunction.py has 257 lines of code (exceeds 250 allowed). Consider refactoring.
Open

# -*- Mode: python; tab-width: 4; indent-tabs-mode:nil; coding: utf-8 -*-
# vim: tabstop=4 expandtab shiftwidth=4 softtabstop=4
""" Module: DistributionFunction
    ============================
"""
Severity: Minor
Found in pytim/observables/distributionfunction.py - About 2 hrs to fix

Cyclomatic complexity is too high in method _compute_observable. (7)
Open

    def _compute_observable(self, ka1, ka2):
        try:
            fg1 = self.observable.compute(self.g1, ka1)
        except:
            fg1 = self.observable.compute(self.g1)
Severity: Minor
Found in pytim/observables/distributionfunction.py by radon

Cyclomatic Complexity

Cyclomatic Complexity corresponds to the number of decisions a block of code contains plus 1. This number (also called McCabe number) is equal to the number of linearly independent paths through the code. This number can be used as a guide when testing conditional logic in blocks.

Radon analyzes the AST tree of a Python program to compute Cyclomatic Complexity. Statements have the following effects on Cyclomatic Complexity:

Construct Effect on CC Reasoning
if +1 An if statement is a single decision.
elif +1 The elif statement adds another decision.
else +0 The else statement does not cause a new decision. The decision is at the if.
for +1 There is a decision at the start of the loop.
while +1 There is a decision at the while statement.
except +1 Each except branch adds a new conditional path of execution.
finally +0 The finally block is unconditionally executed.
with +1 The with statement roughly corresponds to a try/except block (see PEP 343 for details).
assert +1 The assert statement internally roughly equals a conditional statement.
Comprehension +1 A list/set/dict comprehension of generator expression is equivalent to a for loop.
Boolean Operator +1 Every boolean operator (and, or) adds a decision point.

Source: http://radon.readthedocs.org/en/latest/intro.html

Function __init__ has 15 arguments (exceeds 4 allowed). Consider refactoring.
Open

    def __init__(self,
Severity: Major
Found in pytim/observables/distributionfunction.py - About 1 hr to fix

Function _compute_observable has a Cognitive Complexity of 8 (exceeds 5 allowed). Consider refactoring.
Open

    def _compute_observable(self, ka1, ka2):
        try:
            fg1 = self.observable.compute(self.g1, ka1)
        except:
            fg1 = self.observable.compute(self.g1)
Severity: Minor
Found in pytim/observables/distributionfunction.py - About 45 mins to fix

Cognitive Complexity

Cognitive Complexity is a measure of how difficult a unit of code is to intuitively understand. Unlike Cyclomatic Complexity, which determines how difficult your code will be to test, Cognitive Complexity tells you how difficult your code will be to read and comprehend.

A method's cognitive complexity is based on a few simple rules:

  • Code is not considered more complex when it uses shorthand that the language provides for collapsing multiple statements into one
  • Code is considered more complex for each "break in the linear flow of the code"
  • Code is considered more complex when "flow breaking structures are nested"

Further reading

Refactor this function to reduce its Cognitive Complexity from 38 to the 15 allowed.
Open

    def _set_default_values(self, generalized_coordinate, max_distance, nbins):
Severity: Critical
Found in pytim/observables/distributionfunction.py by sonar-python

Cognitive Complexity is a measure of how hard the control flow of a function is to understand. Functions with high Cognitive Complexity will be difficult to maintain.

See

Method "__init__" has 16 parameters, which is greater than the 7 authorized.
Open

    def __init__(self,
                 universe,
                 order,
                 nbins=75,
                 start=None,
Severity: Major
Found in pytim/observables/distributionfunction.py by sonar-python

A long parameter list can indicate that a new structure should be created to wrap the numerous parameters or that the function is doing too many things.

Noncompliant Code Example

With a maximum number of 4 parameters:

def do_something(param1, param2, param3, param4, param5):
    ...

Compliant Solution

def do_something(param1, param2, param3, param4):
    ...

Refactor this function to reduce its Cognitive Complexity from 20 to the 15 allowed.
Open

    def sample(self, g1=None, g2=None, kargs1=None, kargs2=None):
Severity: Critical
Found in pytim/observables/distributionfunction.py by sonar-python

Cognitive Complexity is a measure of how hard the control flow of a function is to understand. Functions with high Cognitive Complexity will be difficult to maintain.

See

TODO found
Open

                  # distribution function. TODO update this when needed
Severity: Minor
Found in pytim/observables/distributionfunction.py by fixme

TODO found
Open

                # TODO: handle kwargs...
Severity: Minor
Found in pytim/observables/distributionfunction.py by fixme

TODO found
Open

            # TODO: tests on the second dimension...
Severity: Minor
Found in pytim/observables/distributionfunction.py by fixme

Identical blocks of code found in 2 locations. Consider refactoring.
Open

    def _compute_observable(self, ka1, ka2):
        try:
            fg1 = self.observable.compute(self.g1, ka1)
        except:
            fg1 = self.observable.compute(self.g1)
Severity: Major
Found in pytim/observables/distributionfunction.py and 1 other location - About 1 day to fix
pytim/observables/rdf.py on lines 246..265

Duplicated Code

Duplicated code can lead to software that is hard to understand and difficult to change. The Don't Repeat Yourself (DRY) principle states:

Every piece of knowledge must have a single, unambiguous, authoritative representation within a system.

When you violate DRY, bugs and maintenance problems are sure to follow. Duplicated code has a tendency to both continue to replicate and also to diverge (leaving bugs as two similar implementations differ in subtle ways).

Tuning

This issue has a mass of 178.

We set useful threshold defaults for the languages we support but you may want to adjust these settings based on your project guidelines.

The threshold configuration represents the minimum mass a code block must have to be analyzed for duplication. The lower the threshold, the more fine-grained the comparison.

If the engine is too easily reporting duplication, try raising the threshold. If you suspect that the engine isn't catching enough duplication, try lowering the threshold. The best setting tends to differ from language to language.

See codeclimate-duplication's documentation for more information about tuning the mass threshold in your .codeclimate.yml.

Refactorings

Further Reading

Identical blocks of code found in 2 locations. Consider refactoring.
Open

        if len(fg1.shape) == 1 and len(fg2.shape) == 1:
            weights = np.outer(fg1, fg2)
        # both are (arrays of) vectors
        elif len(fg1.shape) == 2 and len(fg2.shape) == 2:
            # TODO: tests on the second dimension...
Severity: Major
Found in pytim/observables/distributionfunction.py and 1 other location - About 6 hrs to fix
pytim/observables/rdf.py on lines 269..276

Duplicated Code

Duplicated code can lead to software that is hard to understand and difficult to change. The Don't Repeat Yourself (DRY) principle states:

Every piece of knowledge must have a single, unambiguous, authoritative representation within a system.

When you violate DRY, bugs and maintenance problems are sure to follow. Duplicated code has a tendency to both continue to replicate and also to diverge (leaving bugs as two similar implementations differ in subtle ways).

Tuning

This issue has a mass of 101.

We set useful threshold defaults for the languages we support but you may want to adjust these settings based on your project guidelines.

The threshold configuration represents the minimum mass a code block must have to be analyzed for duplication. The lower the threshold, the more fine-grained the comparison.

If the engine is too easily reporting duplication, try raising the threshold. If you suspect that the engine isn't catching enough duplication, try lowering the threshold. The best setting tends to differ from language to language.

See codeclimate-duplication's documentation for more information about tuning the mass threshold in your .codeclimate.yml.

Refactorings

Further Reading

Similar blocks of code found in 2 locations. Consider refactoring.
Open

        if self.observable is not None:
            # determine weights, otherwise assumes number of atoms (default)
            fg1, fg2, error = self._compute_observable(ka1, ka2)

            if error is True:
Severity: Major
Found in pytim/observables/distributionfunction.py and 1 other location - About 3 hrs to fix
pytim/observables/rdf.py on lines 293..304

Duplicated Code

Duplicated code can lead to software that is hard to understand and difficult to change. The Don't Repeat Yourself (DRY) principle states:

Every piece of knowledge must have a single, unambiguous, authoritative representation within a system.

When you violate DRY, bugs and maintenance problems are sure to follow. Duplicated code has a tendency to both continue to replicate and also to diverge (leaving bugs as two similar implementations differ in subtle ways).

Tuning

This issue has a mass of 65.

We set useful threshold defaults for the languages we support but you may want to adjust these settings based on your project guidelines.

The threshold configuration represents the minimum mass a code block must have to be analyzed for duplication. The lower the threshold, the more fine-grained the comparison.

If the engine is too easily reporting duplication, try raising the threshold. If you suspect that the engine isn't catching enough duplication, try lowering the threshold. The best setting tends to differ from language to language.

See codeclimate-duplication's documentation for more information about tuning the mass threshold in your .codeclimate.yml.

Refactorings

Further Reading

Similar blocks of code found in 2 locations. Consider refactoring.
Open

            if self.order == 2:
                self.generalized_coordinate = RelativePosition(self.coords_in, cartesian=self.cartesian,
                                                               spherical=self.spherical)
Severity: Minor
Found in pytim/observables/distributionfunction.py and 1 other location - About 50 mins to fix
pytim/observables/distributionfunction.py on lines 151..153

Duplicated Code

Duplicated code can lead to software that is hard to understand and difficult to change. The Don't Repeat Yourself (DRY) principle states:

Every piece of knowledge must have a single, unambiguous, authoritative representation within a system.

When you violate DRY, bugs and maintenance problems are sure to follow. Duplicated code has a tendency to both continue to replicate and also to diverge (leaving bugs as two similar implementations differ in subtle ways).

Tuning

This issue has a mass of 36.

We set useful threshold defaults for the languages we support but you may want to adjust these settings based on your project guidelines.

The threshold configuration represents the minimum mass a code block must have to be analyzed for duplication. The lower the threshold, the more fine-grained the comparison.

If the engine is too easily reporting duplication, try raising the threshold. If you suspect that the engine isn't catching enough duplication, try lowering the threshold. The best setting tends to differ from language to language.

See codeclimate-duplication's documentation for more information about tuning the mass threshold in your .codeclimate.yml.

Refactorings

Further Reading

Similar blocks of code found in 2 locations. Consider refactoring.
Open

            if self.order == 1:
                self.generalized_coordinate = Position(self.coords_in, cartesian=self.cartesian,
                                                       spherical=self.spherical)
Severity: Minor
Found in pytim/observables/distributionfunction.py and 1 other location - About 50 mins to fix
pytim/observables/distributionfunction.py on lines 154..156

Duplicated Code

Duplicated code can lead to software that is hard to understand and difficult to change. The Don't Repeat Yourself (DRY) principle states:

Every piece of knowledge must have a single, unambiguous, authoritative representation within a system.

When you violate DRY, bugs and maintenance problems are sure to follow. Duplicated code has a tendency to both continue to replicate and also to diverge (leaving bugs as two similar implementations differ in subtle ways).

Tuning

This issue has a mass of 36.

We set useful threshold defaults for the languages we support but you may want to adjust these settings based on your project guidelines.

The threshold configuration represents the minimum mass a code block must have to be analyzed for duplication. The lower the threshold, the more fine-grained the comparison.

If the engine is too easily reporting duplication, try raising the threshold. If you suspect that the engine isn't catching enough duplication, try lowering the threshold. The best setting tends to differ from language to language.

See codeclimate-duplication's documentation for more information about tuning the mass threshold in your .codeclimate.yml.

Refactorings

Further Reading

Trailing whitespace
Open

    :param double max_distance:     compute the sdf up to this distance along
Severity: Minor
Found in pytim/observables/distributionfunction.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 (111 > 79 characters)
Open

                        self.universe.dimensions[self.generalized_coordinate.dirmask]) / 2., 2. * np.pi, np.pi]
Severity: Minor
Found in pytim/observables/distributionfunction.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

        if (self.cartesian and self.spherical) or (not self.cartesian and not self.spherical):
Severity: Minor
Found in pytim/observables/distributionfunction.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 (104 > 79 characters)
Open

                self.generalized_coordinate = RelativePosition(self.coords_in, cartesian=self.cartesian,
Severity: Minor
Found in pytim/observables/distributionfunction.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 (98 > 79 characters)
Open

                # There can be two signatures (so far): an observable that takes one or two groups
Severity: Minor
Found in pytim/observables/distributionfunction.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 (84 > 79 characters)
Open

                                    each element will determine the maximum distance
Severity: Minor
Found in pytim/observables/distributionfunction.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

                                    Supply a list or an array to use a different number of
Severity: Minor
Found in pytim/observables/distributionfunction.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 (87 > 79 characters)
Open

                    self.max_distance = self.universe.dimensions[self.dirmask_out] / 2.
Severity: Minor
Found in pytim/observables/distributionfunction.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

                                    the axes. If a list or an array is supplied,
Severity: Minor
Found in pytim/observables/distributionfunction.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 (89 > 79 characters)
Open

                        self.generalized_coordinate.compute(universe.atoms), axis=0) / 2.
Severity: Minor
Found in pytim/observables/distributionfunction.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 (84 > 79 characters)
Open

                    self.max_distance -= np.min(self.generalized_coordinate.compute(
Severity: Minor
Found in pytim/observables/distributionfunction.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 (106 > 79 characters)
Open

                                   self.dirmask_out], self.max_distance).reshape(2, self.dimensions_out).T
Severity: Minor
Found in pytim/observables/distributionfunction.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 (81 > 79 characters)
Open

            except AttributeError:  # not an observable, we assume the user knows
Severity: Minor
Found in pytim/observables/distributionfunction.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 (91 > 79 characters)
Open

    :param int nbins:               number of bins used for the sampling in all directions.
Severity: Minor
Found in pytim/observables/distributionfunction.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/distributionfunction.py by pep8

When catching exceptions, mention specific exceptions when possible.

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

Over-indented (comment)
Open

                  # distribution function. TODO update this when needed
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

Line too long (127 > 79 characters)
Open

            raise ValueError("Can pass either any of Cartesian ['x','y','z'] or of spherical ['r','phi','theta'] coordinates ")
Severity: Minor
Found in pytim/observables/distributionfunction.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 (81 > 79 characters)
Open

            try:  # this kind of observable (depending on two groups) are not yet
Severity: Minor
Found in pytim/observables/distributionfunction.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

    :param int nbins:               number of bins used for the sampling in all directions.
Severity: Minor
Found in pytim/observables/distributionfunction.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

Indentation is not a multiple of 4 (comment)
Open

                  # distribution function. TODO update this when needed
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

Line too long (87 > 79 characters)
Open

                                   self.max_distance).reshape(2, self.dimensions_out).T
Severity: Minor
Found in pytim/observables/distributionfunction.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/distributionfunction.py by pep8

When catching exceptions, mention specific exceptions when possible.

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

Line too long (80 > 79 characters)
Open

            except AttributeError:  # not an observable, we assume the user know
Severity: Minor
Found in pytim/observables/distributionfunction.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

                                                               spherical=self.spherical)
Severity: Minor
Found in pytim/observables/distributionfunction.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.

Indentation is not a multiple of 4 (comment)
Open

                  # implemented. This is just an implementation draft for the general
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

Line too long (88 > 79 characters)
Open

          sdf(x,y,z) = \frac{1}{N}\left\langle \sum_{i\neq j} \delta(x-x_i,y-y_i,z-z_i)\
Severity: Minor
Found in pytim/observables/distributionfunction.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 (96 > 79 characters)
Open

                self.generalized_coordinate = Position(self.coords_in, cartesian=self.cartesian,
Severity: Minor
Found in pytim/observables/distributionfunction.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 (98 > 79 characters)
Open

                # we assume the generalized_coordinate returns an ndarray, e.g. [ [x1,y1,z1], ...]
Severity: Minor
Found in pytim/observables/distributionfunction.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 (85 > 79 characters)
Open

                  # implemented. This is just an implementation draft for the general
Severity: Minor
Found in pytim/observables/distributionfunction.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

Line too long (85 > 79 characters)
Open

                # and we take half of the maximum extension in each of the directions
Severity: Minor
Found in pytim/observables/distributionfunction.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

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/distributionfunction.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 (86 > 79 characters)
Open

            np.array([[0.] * self.dimensions_out]), bins=self.nbins, range=self.range)
Severity: Minor
Found in pytim/observables/distributionfunction.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 (89 > 79 characters)
Open

                        self.generalized_coordinate.compute(universe.atoms), axis=0) / 2.
Severity: Minor
Found in pytim/observables/distributionfunction.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/distributionfunction.py by pep8

When catching exceptions, mention specific exceptions when possible.

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

Line too long (80 > 79 characters)
Open

                                                       spherical=self.spherical)
Severity: Minor
Found in pytim/observables/distributionfunction.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 (91 > 79 characters)
Open

                np.zeros((len(self.g1), len(self.g2)), dtype=np.float64)] * self.dimensions
Severity: Minor
Found in pytim/observables/distributionfunction.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

                  # implemented. This is just an implementation draft for the general
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

Do not use bare 'except'
Open

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

When catching exceptions, mention specific exceptions when possible.

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

Line too long (83 > 79 characters)
Open

                    self.max_distance = np.max(self.generalized_coordinate.compute(
Severity: Minor
Found in pytim/observables/distributionfunction.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.

Indentation is not a multiple of 4 (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

Indentation is not a multiple of 4 (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

Line too long (83 > 79 characters)
Open

            [np.where(np.asarray(all_coords) == c)[0][0] for c in self.coords_out])
Severity: Minor
Found in pytim/observables/distributionfunction.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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