skchem.core.Atom - Code Metrics - Inspection of "updated pylintrc" - richlewis42/scikit-chem - Measure and Improve Code Quality continuously with Scrutinizer

Completed

Push — master ( 2bc047...202252 )

by Rich

created 2016-04-14 16:47 UTC

skchem.core.Atom A

↳ Parent: Atom

Complexity

Total Complexity

Size/Duplication

Total Lines	42
Duplicated Lines	0 %

Metric	Value
dl	0
loc	42
rs	10
wmc	7

4 Methods

Rating	Name	Size	Complexity
A	Atom.element()	6	1
A	Atom.atomic_mass()	6	1
A	Atom.mass()	6	1
A	Atom.atomic_number()	6	1

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


"""
skchem.core.atom

Defining atoms in scikit-chem.
"""

from rdkit import Chem
# .scrutinizer.yml
before_commands:
    - sudo pip install abc # Python2
    - sudo pip3 install abc # Python3
from skchem.core import ChemicalObject

class Atom(Chem.rdchem.Atom, ChemicalObject):

    """ Object representing an Atom in scikit-chem. """

    @property
    def element(self):

        """ Get the element of the atom as a string. """

        return self.GetSymbol()


    @property
    def atomic_number(self):

        """ Get the atomic number of the atom as a float. """

        return self.GetAtomicNum()


    @property
    def mass(self):

        """ Get the mass of the atom as a float. """

        return self.GetMass()


    @property
    def atomic_mass(self):

        """ Get the mass of the atom as a float. """

        return self.mass

    @property
    def props(self):

        """ Return a dictionary of properties of the atom. """

        # Some atom properties are inaccessible, but still give values.
        #

        props = {}

        for prop in self.GetPropNames():

            try:
                props[prop] = self.GetProp(prop)

            except RuntimeError:
                pass

        return props

    def __repr__(self):

        return '<{klass} element="{element}" at {address}>'.format(
            klass=self.__class__.__name__,
            element=self.element,
            address=hex(id(self))
            )

    def __str__(self):
        return self.element


1			#! /usr/bin/env python
2			#
3			# Copyright (C) 2007-2009 Rich Lewis <[email protected]>
4			# License: 3-clause BSD
5
6
7			"""
8			skchem.core.atom
9
10			Defining atoms in scikit-chem.
11			"""
12
13			from rdkit import Chem
			0 ignored issues – show Configuration introduced 2016-01-19 16:21 UTC by Report Bug Copy Issue Report The import `rdkit` 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...
14			from skchem.core import ChemicalObject
15
16			class Atom(Chem.rdchem.Atom, ChemicalObject):
17
18			""" Object representing an Atom in scikit-chem. """
19
20			@property
21			def element(self):
22
23			""" Get the element of the atom as a string. """
24
25			return self.GetSymbol()
			0 ignored issues – show Bug introduced 2016-01-19 16:21 UTC by Report Bug Copy Issue Report The Instance of `Atom` does not seem to have a member named `GetSymbol`. This check looks for calls to members that are non-existent. These calls will fail. The member could have been renamed or removed. Loading history...
26
27			@property
28			def atomic_number(self):
29
30			""" Get the atomic number of the atom as a float. """
31
32			return self.GetAtomicNum()
			0 ignored issues – show Bug introduced 2016-04-14 16:48 UTC by Report Bug Copy Issue Report The Instance of `Atom` does not seem to have a member named `GetAtomicNum`. This check looks for calls to members that are non-existent. These calls will fail. The member could have been renamed or removed. Loading history...
33
34			@property
35			def mass(self):
36
37			""" Get the mass of the atom as a float. """
38
39			return self.GetMass()
			0 ignored issues – show Bug introduced 2016-04-14 16:48 UTC by Report Bug Copy Issue Report The Instance of `Atom` does not seem to have a member named `GetMass`. This check looks for calls to members that are non-existent. These calls will fail. The member could have been renamed or removed. Loading history...
40
41			@property
42			def atomic_mass(self):
43
44			""" Get the mass of the atom as a float. """
45
46			return self.mass
47
48			@property
49			def props(self):
50
51			""" Return a dictionary of properties of the atom. """
52
53			# Some atom properties are inaccessible, but still give values.
54			#
55
56			props = {}
57
58			for prop in self.GetPropNames():
			0 ignored issues – show Bug introduced 2016-04-14 16:48 UTC by Report Bug Copy Issue Report The Instance of `Atom` does not seem to have a member named `GetPropNames`. This check looks for calls to members that are non-existent. These calls will fail. The member could have been renamed or removed. Loading history...
59			try:
60			props[prop] = self.GetProp(prop)
			0 ignored issues – show Bug introduced 2016-04-14 16:48 UTC by Report Bug Copy Issue Report The Instance of `Atom` does not seem to have a member named `GetProp`. This check looks for calls to members that are non-existent. These calls will fail. The member could have been renamed or removed. Loading history...
61			except RuntimeError:
62			pass
63
64			return props
65
66			def __repr__(self):
67
68			return '<{klass} element="{element}" at {address}>'.format(
69			klass=self.__class__.__name__,
70			element=self.element,
71			address=hex(id(self))
72			)
73
74			def __str__(self):
75			return self.element
76

richlewis42 / scikit-chem

Push — master ( 2bc047...202252 )

skchem.core.Atom A

Complexity

Size/Duplication

4 Methods

1. Missing Dependencies

2. Missing __init__.py files

Duplication Side-by-Side

Filter issues like

2. Missing init.py files