StructureMethods - Code Metrics - Inspection of "added add/remove hydrogens to Mol" - richlewis42/scikit-chem - Measure and Improve Code Quality continuously with Scrutinizer

Completed

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by Rich

created 2016-07-11 22:50 UTC

StructureMethods A

↳ Parent: Project

Complexity

Total Complexity

Size/Duplication

Total Lines	13
Duplicated Lines	0 %

Importance

Changes	1
Bugs	0	Features	1

Metric	Value
wmc	7
c	1
b	0
f	1
dl	0
loc	13
rs	10

4 Methods

Rating	Name	Size	Complexity
A	__init__()	2	1
A	atoms()	3	2
A	remove_hs()	2	2
A	add_hs()	2	2

#! /usr/bin/env python
#
# Copyright (C) 2007-2009 Rich Lewis <[email protected]>
# License: 3-clause BSD

""" # skchem.pandas.structure_methods

 Tools for adding a default attribute to pandas objects."""

from pandas.core.base import NoNewAttributesMixin, AccessorProperty
# .scrutinizer.yml
before_commands:
    - sudo pip install abc # Python2
    - sudo pip3 install abc # Python3
from pandas.core.series import Series
# .scrutinizer.yml
before_commands:
    - sudo pip install abc # Python2
    - sudo pip3 install abc # Python3
from pandas.core.index import Index
# .scrutinizer.yml
before_commands:
    - sudo pip install abc # Python2
    - sudo pip3 install abc # Python3

from .. import core

class StructureMethods(NoNewAttributesMixin):
class SomeClass:
    def some_method(self):
        """Do x and return foo."""
    def __init__(self, data):
        self._data = data

    def add_hs(self, **kwargs):
class SomeClass:
    def some_method(self):
        """Do x and return foo."""
        return self._data.apply(lambda m: m.add_hs(**kwargs))


    def remove_hs(self, **kwargs):
class SomeClass:
    def some_method(self):
        """Do x and return foo."""
        return self._data.apply(lambda m: m.remove_hs(**kwargs))


    @property
    def atoms(self):
class SomeClass:
    def some_method(self):
        """Do x and return foo."""
        return self._data.apply(lambda m: m.atoms)

def only_contains_mols(ser):
class SomeClass:
    def some_method(self):
        """Do x and return foo."""
    return ser.apply(lambda s: isinstance(s, core.Mol)).all()

class StructureAccessorMixin(object):
class SomeClass:
    def some_method(self):
        """Do x and return foo."""

    def _make_structure_accessor(self):
        if isinstance(self, Index):
            raise AttributeError('Can only use .mol accessor with molecules,'
                                 'which use np.object_ in scikit-chem.')
        if not only_contains_mols(self):
            raise AttributeError('Can only use .mol accessor with '
                                 'Series that only contain mols.')

        return StructureMethods(self)
    ms = AccessorProperty(StructureMethods, _make_structure_accessor)



Series.__bases__ += StructureAccessorMixin,


1			#! /usr/bin/env python
2			#
3			# Copyright (C) 2007-2009 Rich Lewis <[email protected]>
4			# License: 3-clause BSD
5
6			""" # skchem.pandas.structure_methods
7
8			Tools for adding a default attribute to pandas objects."""
9
10			from pandas.core.base import NoNewAttributesMixin, AccessorProperty
			0 ignored issues – show Configuration introduced 2016-07-11 22:51 UTC by Report Bug Copy Issue Report The import `pandas.core.base` could not be resolved. This can be caused by one of the following: 1. Missing Dependencies This error could indicate a configuration issue of Pylint. Make sure that your libraries are available by adding the necessary commands. # .scrutinizer.yml before_commands: - sudo pip install abc # Python2 - sudo pip3 install abc # Python3 Tip: We are currently not using virtualenv to run pylint, when installing your modules make sure to use the command for the correct version. 2. Missing __init__.py files This error could also result from missing `__init__.py` files in your module folders. Make sure that you place one file in each sub-folder. Loading history...
11			from pandas.core.series import Series
			0 ignored issues – show Configuration introduced 2016-07-11 22:51 UTC by Report Bug Copy Issue Report The import `pandas.core.series` could not be resolved. This can be caused by one of the following: 1. Missing Dependencies This error could indicate a configuration issue of Pylint. Make sure that your libraries are available by adding the necessary commands. # .scrutinizer.yml before_commands: - sudo pip install abc # Python2 - sudo pip3 install abc # Python3 Tip: We are currently not using virtualenv to run pylint, when installing your modules make sure to use the command for the correct version. 2. Missing __init__.py files This error could also result from missing `__init__.py` files in your module folders. Make sure that you place one file in each sub-folder. Loading history...
12			from pandas.core.index import Index
			0 ignored issues – show Configuration introduced 2016-07-11 22:51 UTC by Report Bug Copy Issue Report The import `pandas.core.index` could not be resolved. This can be caused by one of the following: 1. Missing Dependencies This error could indicate a configuration issue of Pylint. Make sure that your libraries are available by adding the necessary commands. # .scrutinizer.yml before_commands: - sudo pip install abc # Python2 - sudo pip3 install abc # Python3 Tip: We are currently not using virtualenv to run pylint, when installing your modules make sure to use the command for the correct version. 2. Missing __init__.py files This error could also result from missing `__init__.py` files in your module folders. Make sure that you place one file in each sub-folder. Loading history...
13
14			from .. import core
15
16			class StructureMethods(NoNewAttributesMixin):
			0 ignored issues – show Coding Style introduced 2016-07-11 22:51 UTC by Report Bug Copy Issue Report This class should have a docstring. The coding style of this project requires that you add a docstring to this code element. Below, you find an example for methods: class SomeClass: def some_method(self): """Do x and return foo.""" If you would like to know more about docstrings, we recommend to read PEP-257: Docstring Conventions. Loading history...
17			def __init__(self, data):
18			self._data = data
19
20			def add_hs(self, **kwargs):
			0 ignored issues – show Coding Style introduced 2016-07-11 22:51 UTC by Report Bug Copy Issue Report This method should have a docstring. The coding style of this project requires that you add a docstring to this code element. Below, you find an example for methods: class SomeClass: def some_method(self): """Do x and return foo.""" If you would like to know more about docstrings, we recommend to read PEP-257: Docstring Conventions. Loading history...
21			return self._data.apply(lambda m: m.add_hs(**kwargs))
			0 ignored issues – show Coding Style introduced 2016-07-11 22:51 UTC by Report Bug Copy Issue Report Usage of `` or `` arguments should usually be done with care. Generally, there is nothing wrong with usage of `` or `**` arguments. For readability of the code base, we suggest to not over-use these language constructs though. For more information, we can recommend this blog post from Ned Batchelder including its comments which also touches this aspect. Loading history...
22
23			def remove_hs(self, **kwargs):
			0 ignored issues – show Coding Style introduced 2016-07-11 22:51 UTC by Report Bug Copy Issue Report This method should have a docstring. The coding style of this project requires that you add a docstring to this code element. Below, you find an example for methods: class SomeClass: def some_method(self): """Do x and return foo.""" If you would like to know more about docstrings, we recommend to read PEP-257: Docstring Conventions. Loading history...
24			return self._data.apply(lambda m: m.remove_hs(**kwargs))
			0 ignored issues – show Coding Style introduced 2016-07-11 22:51 UTC by Report Bug Copy Issue Report Usage of `` or `` arguments should usually be done with care. Generally, there is nothing wrong with usage of `` or `**` arguments. For readability of the code base, we suggest to not over-use these language constructs though. For more information, we can recommend this blog post from Ned Batchelder including its comments which also touches this aspect. Loading history...
25
26			@property
27			def atoms(self):
			0 ignored issues – show Coding Style introduced 2016-07-11 22:51 UTC by Report Bug Copy Issue Report This method should have a docstring. The coding style of this project requires that you add a docstring to this code element. Below, you find an example for methods: class SomeClass: def some_method(self): """Do x and return foo.""" If you would like to know more about docstrings, we recommend to read PEP-257: Docstring Conventions. Loading history...
28			return self._data.apply(lambda m: m.atoms)
29
30			def only_contains_mols(ser):
			0 ignored issues – show Coding Style introduced 2016-07-11 22:51 UTC by Report Bug Copy Issue Report This function should have a docstring. The coding style of this project requires that you add a docstring to this code element. Below, you find an example for methods: class SomeClass: def some_method(self): """Do x and return foo.""" If you would like to know more about docstrings, we recommend to read PEP-257: Docstring Conventions. Loading history...
31			return ser.apply(lambda s: isinstance(s, core.Mol)).all()
32
33			class StructureAccessorMixin(object):
			0 ignored issues – show Coding Style introduced 2016-07-11 22:51 UTC by Report Bug Copy Issue Report This class should have a docstring. The coding style of this project requires that you add a docstring to this code element. Below, you find an example for methods: class SomeClass: def some_method(self): """Do x and return foo.""" If you would like to know more about docstrings, we recommend to read PEP-257: Docstring Conventions. Loading history...
34
35			def _make_structure_accessor(self):
36			if isinstance(self, Index):
37			raise AttributeError('Can only use .mol accessor with molecules,'
38			'which use np.object_ in scikit-chem.')
39			if not only_contains_mols(self):
40			raise AttributeError('Can only use .mol accessor with '
41			'Series that only contain mols.')
42
43			return StructureMethods(self)
44			ms = AccessorProperty(StructureMethods, _make_structure_accessor)
			0 ignored issues – show Coding Style Naming introduced 2016-07-11 22:51 UTC by Report Bug Copy Issue Report The name `ms` does not conform to the class attribute naming conventions (`([A-Za-z_][A-Za-z0-9_]{2,30}\|(__.*__))$`). This check looks for invalid names for a range of different identifiers. You can set regular expressions to which the identifiers must conform if the defaults do not match your requirements. If your project includes a Pylint configuration file, the settings contained in that file take precedence. To find out more about Pylint, please refer to their site. Loading history...
45
46
47			Series.__bases__ += StructureAccessorMixin,
48

Push — master ( 86beb5...b25ebe )

StructureMethods A

Complexity

Size/Duplication

Importance

4 Methods

1. Missing Dependencies

2. Missing init.py files

1. Missing Dependencies

2. Missing init.py files

1. Missing Dependencies

2. Missing init.py files

richlewis42 / scikit-chem

Push — master ( 86beb5...b25ebe )

StructureMethods A

Complexity

Size/Duplication

Importance

4 Methods

1. Missing Dependencies

2. Missing __init__.py files

1. Missing Dependencies

2. Missing __init__.py files

1. Missing Dependencies

2. Missing __init__.py files

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