Cyclomatic complexity is too high in method compute. (6) Open
def compute(self, inp, kargs=None):
"""Compute the observable.
:param ndarray inp: the input atom group. The length must be a multiple
of three
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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. |
Function compute
has a Cognitive Complexity of 6 (exceeds 5 allowed). Consider refactoring. Open
def compute(self, inp, kargs=None):
"""Compute the observable.
:param ndarray inp: the input atom group. The length must be a multiple
of three
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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
Line too long (80 > 79 characters) Open
:param ndarray inp: the input atom group. The length must be a multiple
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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.molecular_plane_vector = Orientation(universe,options=options+['normal'])
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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
molecular axes (using pytim.observables.Orientation)
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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.
Missing whitespace after ',' Open
v = v / np.linalg.norm(v,axis=1)[:,np.newaxis]
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Each comma, semicolon or colon should be followed by whitespace.
Okay: [a, b]
Okay: (3,)
Okay: a[1:4]
Okay: a[:4]
Okay: a[1:]
Okay: a[1:4:2]
E231: ['a','b']
E231: foo(bar,baz)
E231: [{'a':'b'}]
Missing whitespace around operator Open
normal_component[normal_component<-1.0]=-1.0
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Surround operators with a single space on either side.
- Always surround these binary operators with a single space on
either side: assignment (=), augmented assignment (+=, -= etc.),
comparisons (==, <, >, !=, <=, >=, in, not in, is, is not),
Booleans (and, or, not).
- If operators with different priorities are used, consider adding
whitespace around the operators with the lowest priorities.
Okay: i = i + 1
Okay: submitted += 1
Okay: x = x * 2 - 1
Okay: hypot2 = x * x + y * y
Okay: c = (a + b) * (a - b)
Okay: foo(bar, key='word', *args, **kwargs)
Okay: alpha[:-i]
E225: i=i+1
E225: submitted +=1
E225: x = x /2 - 1
E225: z = x **y
E225: z = 1and 1
E226: c = (a+b) * (a-b)
E226: hypot2 = x*x + y*y
E227: c = a|b
E228: msg = fmt%(errno, errmsg)
Missing whitespace around operator Open
options=['']
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Surround operators with a single space on either side.
- Always surround these binary operators with a single space on
either side: assignment (=), augmented assignment (+=, -= etc.),
comparisons (==, <, >, !=, <=, >=, in, not in, is, is not),
Booleans (and, or, not).
- If operators with different priorities are used, consider adding
whitespace around the operators with the lowest priorities.
Okay: i = i + 1
Okay: submitted += 1
Okay: x = x * 2 - 1
Okay: hypot2 = x * x + y * y
Okay: c = (a + b) * (a - b)
Okay: foo(bar, key='word', *args, **kwargs)
Okay: alpha[:-i]
E225: i=i+1
E225: submitted +=1
E225: x = x /2 - 1
E225: z = x **y
E225: z = 1and 1
E226: c = (a+b) * (a-b)
E226: hypot2 = x*x + y*y
E227: c = a|b
E228: msg = fmt%(errno, errmsg)
Line too long (95 > 79 characters) Open
""" Two angles characterizing the orientation next to a surface of an axisymmetric molecule
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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.
Expected 2 blank lines, found 1 Open
class BivariateAngles(Observable):
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Separate top-level function and class definitions with two blank lines.
Method definitions inside a class are separated by a single blank
line.
Extra blank lines may be used (sparingly) to separate groups of
related functions. Blank lines may be omitted between a bunch of
related one-liners (e.g. a set of dummy implementations).
Use blank lines in functions, sparingly, to indicate logical
sections.
Okay: def a():\n pass\n\n\ndef b():\n pass
Okay: def a():\n pass\n\n\nasync def b():\n pass
Okay: def a():\n pass\n\n\n# Foo\n# Bar\n\ndef b():\n pass
Okay: default = 1\nfoo = 1
Okay: classify = 1\nfoo = 1
E301: class Foo:\n b = 0\n def bar():\n pass
E302: def a():\n pass\n\ndef b(n):\n pass
E302: def a():\n pass\n\nasync def b(n):\n pass
E303: def a():\n pass\n\n\n\ndef b(n):\n pass
E303: def a():\n\n\n\n pass
E304: @decorator\n\ndef a():\n pass
E305: def a():\n pass\na()
E306: def a():\n def b():\n pass\n def c():\n pass
Missing whitespace after ',' Open
v_surface = np.asarray([0.,0.,1.])
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Each comma, semicolon or colon should be followed by whitespace.
Okay: [a, b]
Okay: (3,)
Okay: a[1:4]
Okay: a[:4]
Okay: a[1:]
Okay: a[1:4:2]
E231: ['a','b']
E231: foo(bar,baz)
E231: [{'a':'b'}]
Line too long (100 > 79 characters) Open
:param: bool molecular: if True, uses the option "molecular=True" in the calculation of the
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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.
Missing whitespace after ',' Open
return costheta,phi
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Each comma, semicolon or colon should be followed by whitespace.
Okay: [a, b]
Okay: (3,)
Okay: a[1:4]
Okay: a[:4]
Okay: a[1:]
Okay: a[1:4:2]
E231: ['a','b']
E231: foo(bar,baz)
E231: [{'a':'b'}]
Line too long (95 > 79 characters) Open
>>> np.all(np.isclose([costheta[0],phi[0]], [0.6533759236335754, 0.10778185716460659]))
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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.
Missing whitespace after ',' Open
normal_component = np.sum(v*v_normal,axis=1)
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Each comma, semicolon or colon should be followed by whitespace.
Okay: [a, b]
Okay: (3,)
Okay: a[1:4]
Okay: a[:4]
Okay: a[1:]
Okay: a[1:4:2]
E231: ['a','b']
E231: foo(bar,baz)
E231: [{'a':'b'}]
Multiple statements on one line (colon) Open
if molecular: options=['molecular']
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Compound statements (on the same line) are generally discouraged.
While sometimes it's okay to put an if/for/while with a small body
on the same line, never do this for multi-clause statements.
Also avoid folding such long lines!
Always use a def statement instead of an assignment statement that
binds a lambda expression directly to a name.
Okay: if foo == 'blah':\n do_blah_thing()
Okay: do_one()
Okay: do_two()
Okay: do_three()
E701: if foo == 'blah': do_blah_thing()
E701: for x in lst: total += x
E701: while t < 10: t = delay()
E701: if foo == 'blah': do_blah_thing()
E701: else: do_non_blah_thing()
E701: try: something()
E701: finally: cleanup()
E701: if foo == 'blah': one(); two(); three()
E702: do_one(); do_two(); do_three()
E703: do_four(); # useless semicolon
E704: def f(x): return 2*x
E731: f = lambda x: 2*x
Missing whitespace after ',' Open
self.molecular_plane_vector = Orientation(universe,options=options+['normal'])
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Each comma, semicolon or colon should be followed by whitespace.
Okay: [a, b]
Okay: (3,)
Okay: a[1:4]
Okay: a[:4]
Okay: a[1:]
Okay: a[1:4:2]
E231: ['a','b']
E231: foo(bar,baz)
E231: [{'a':'b'}]
Missing whitespace after ',' Open
v = (v_surface-v_dipole*costheta[:,np.newaxis])
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Each comma, semicolon or colon should be followed by whitespace.
Okay: [a, b]
Okay: (3,)
Okay: a[1:4]
Okay: a[:4]
Okay: a[1:]
Okay: a[1:4:2]
E231: ['a','b']
E231: foo(bar,baz)
E231: [{'a':'b'}]
Missing whitespace around operator Open
normal_component[normal_component<-1.0]=-1.0
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Surround operators with a single space on either side.
- Always surround these binary operators with a single space on
either side: assignment (=), augmented assignment (+=, -= etc.),
comparisons (==, <, >, !=, <=, >=, in, not in, is, is not),
Booleans (and, or, not).
- If operators with different priorities are used, consider adding
whitespace around the operators with the lowest priorities.
Okay: i = i + 1
Okay: submitted += 1
Okay: x = x * 2 - 1
Okay: hypot2 = x * x + y * y
Okay: c = (a + b) * (a - b)
Okay: foo(bar, key='word', *args, **kwargs)
Okay: alpha[:-i]
E225: i=i+1
E225: submitted +=1
E225: x = x /2 - 1
E225: z = x **y
E225: z = 1and 1
E226: c = (a+b) * (a-b)
E226: hypot2 = x*x + y*y
E227: c = a|b
E228: msg = fmt%(errno, errmsg)
Missing whitespace after ',' Open
phi = np.mod(np.arctan2(normal_component, orthogonal_component),np.pi/2)
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Each comma, semicolon or colon should be followed by whitespace.
Okay: [a, b]
Okay: (3,)
Okay: a[1:4]
Okay: a[:4]
Okay: a[1:]
Okay: a[1:4:2]
E231: ['a','b']
E231: foo(bar,baz)
E231: [{'a':'b'}]
Missing whitespace around operator Open
normal_component[normal_component>1.0]=1.0
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Surround operators with a single space on either side.
- Always surround these binary operators with a single space on
either side: assignment (=), augmented assignment (+=, -= etc.),
comparisons (==, <, >, !=, <=, >=, in, not in, is, is not),
Booleans (and, or, not).
- If operators with different priorities are used, consider adding
whitespace around the operators with the lowest priorities.
Okay: i = i + 1
Okay: submitted += 1
Okay: x = x * 2 - 1
Okay: hypot2 = x * x + y * y
Okay: c = (a + b) * (a - b)
Okay: foo(bar, key='word', *args, **kwargs)
Okay: alpha[:-i]
E225: i=i+1
E225: submitted +=1
E225: x = x /2 - 1
E225: z = x **y
E225: z = 1and 1
E226: c = (a+b) * (a-b)
E226: hypot2 = x*x + y*y
E227: c = a|b
E228: msg = fmt%(errno, errmsg)
Missing whitespace after ',' Open
v_surface = np.asarray([0.,0.,1.])
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Each comma, semicolon or colon should be followed by whitespace.
Okay: [a, b]
Okay: (3,)
Okay: a[1:4]
Okay: a[:4]
Okay: a[1:]
Okay: a[1:4:2]
E231: ['a','b']
E231: foo(bar,baz)
E231: [{'a':'b'}]
Line too long (107 > 79 characters) Open
The angles are computed according to Jedlovszky et al., Phys. Chem. Chem. Phys., 2004, 6, 1874–1879
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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.
Missing whitespace after ',' Open
v = v / np.linalg.norm(v,axis=1)[:,np.newaxis]
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Each comma, semicolon or colon should be followed by whitespace.
Okay: [a, b]
Okay: (3,)
Okay: a[1:4]
Okay: a[:4]
Okay: a[1:]
Okay: a[1:4:2]
E231: ['a','b']
E231: foo(bar,baz)
E231: [{'a':'b'}]
Missing whitespace around operator Open
normal_component[normal_component>1.0]=1.0
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Surround operators with a single space on either side.
- Always surround these binary operators with a single space on
either side: assignment (=), augmented assignment (+=, -= etc.),
comparisons (==, <, >, !=, <=, >=, in, not in, is, is not),
Booleans (and, or, not).
- If operators with different priorities are used, consider adding
whitespace around the operators with the lowest priorities.
Okay: i = i + 1
Okay: submitted += 1
Okay: x = x * 2 - 1
Okay: hypot2 = x * x + y * y
Okay: c = (a + b) * (a - b)
Okay: foo(bar, key='word', *args, **kwargs)
Okay: alpha[:-i]
E225: i=i+1
E225: submitted +=1
E225: x = x /2 - 1
E225: z = x **y
E225: z = 1and 1
E226: c = (a+b) * (a-b)
E226: hypot2 = x*x + y*y
E227: c = a|b
E228: msg = fmt%(errno, errmsg)
Line too long (80 > 79 characters) Open
phi = np.mod(np.arctan2(normal_component, orthogonal_component),np.pi/2)
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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:
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When catching exceptions, mention specific exceptions when possible.
Okay: except Exception:
Okay: except BaseException:
E722: except:
Missing whitespace around operator Open
if molecular: options=['molecular']
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Surround operators with a single space on either side.
- Always surround these binary operators with a single space on
either side: assignment (=), augmented assignment (+=, -= etc.),
comparisons (==, <, >, !=, <=, >=, in, not in, is, is not),
Booleans (and, or, not).
- If operators with different priorities are used, consider adding
whitespace around the operators with the lowest priorities.
Okay: i = i + 1
Okay: submitted += 1
Okay: x = x * 2 - 1
Okay: hypot2 = x * x + y * y
Okay: c = (a + b) * (a - b)
Okay: foo(bar, key='word', *args, **kwargs)
Okay: alpha[:-i]
E225: i=i+1
E225: submitted +=1
E225: x = x /2 - 1
E225: z = x **y
E225: z = 1and 1
E226: c = (a+b) * (a-b)
E226: hypot2 = x*x + y*y
E227: c = a|b
E228: msg = fmt%(errno, errmsg)
Multiple spaces before operator Open
self.molecular_plane_vector = Orientation(universe,options=options+['normal'])
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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
Missing whitespace after ',' Open
self.dipole_vector = Orientation(universe,options=options)
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Each comma, semicolon or colon should be followed by whitespace.
Okay: [a, b]
Okay: (3,)
Okay: a[1:4]
Okay: a[:4]
Okay: a[1:]
Okay: a[1:4:2]
E231: ['a','b']
E231: foo(bar,baz)
E231: [{'a':'b'}]
Do not use bare 'except' Open
except:
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When catching exceptions, mention specific exceptions when possible.
Okay: except Exception:
Okay: except BaseException:
E722: except: