AtomIterator.__init__() - Code Metrics - Inspection of "updated core with views" - richlewis42/scikit-chem - Measure and Improve Code Quality continuously with Scrutinizer

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by Rich

created 2016-05-15 15:27 UTC

AtomIterator.init() A

↳ Parent: AtomIterator

Complexity

Conditions

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Total Lines

Duplication

Lines	0
Ratio	0 %

Importance

Changes	1
Bugs	0	Features	0

Metric	Value
cc	1
c	1
b	0
f	0
dl	0
loc	4
rs	10

#! /usr/bin/env python
#
# Copyright (C) 2015-2016 Rich Lewis <[email protected]>
# License: 3-clause BSD

"""
## skchem.core.base

Define base classes for scikit chem objects
"""

import warnings

class ChemicalObject(object):

    """ A mixin for each chemical object in scikit-chem """

    @classmethod
    def from_super(cls, obj):

        """A method that converts the class of an object of parent class to that of the child. """

        obj.__class__ = cls
        return obj

class AtomView(object):

    """ Atom interface wrapper """

    def __init__(self, owner):
        self.owner = owner
        self._current = 0
        self._high = self.owner.GetNumAtoms()

    def __getitem__(self, index):
        from .atom import Atom
        return Atom.from_super(self.owner.GetAtomWithIdx(index))

    def __iter__(self):

        return AtomIterator(self.owner)

class AtomIterator(AtomView):

    """ Atom iterator """

    def __init__(self, owner):
        super(AtomIterator, self).__init__(owner)
        self._current = 0
        self._high = self.owner.GetNumAtoms()

    def __next__(self):
        if self._current >= self._high:
            raise StopIteration
        else:
            self._current += 1
            return self[self._current - 1]


class PropertyView(object):

    """ Property object wrapper """

    def __init__(self, owner):
        self.owner = owner

    def __getitem__(self, index):
        return self.owner.GetProp(str(index))

    def __setitem__(self, key, value):
        if not isinstance(value, str):
            warnings.warn("""RDKit property keys and values can only be
                        `str`.  Using `{value}` as a `str`.""".format(value=value))
        self.owner.SetProp(str(key), str(value))

    def __iter__(self):
        return iter(self.keys())

    def get(self, index, default=None):
class SomeClass:
    def some_method(self):
        """Do x and return foo."""
        if index in self.keys():
            return self[index]
        else:
            return default

    def pop(self, index, default=None):
class SomeClass:
    def some_method(self):
        """Do x and return foo."""
        if default:
            val = self.get(index, default)
        else:
            val = self[index]
        self.remove(index)
        return val

    def remove(self, index):
class SomeClass:
    def some_method(self):
        """Do x and return foo."""
        self.owner.ClearProp(index)

    def clear(self):
class SomeClass:
    def some_method(self):
        """Do x and return foo."""
        for idx in self.keys():
            self.remove(idx)

    def keys(self):
class SomeClass:
    def some_method(self):
        """Do x and return foo."""
        return list(k for k in self.owner.GetPropNames() if k[:1] != '_')

    def items(self):
class SomeClass:
    def some_method(self):
        """Do x and return foo."""
        return list((k, self[k]) for k in self.keys())

    def __str__(self):
        return str(dict(self))

    def __repr__(self):
        return '<{klass} values="{values}" at {address}>'.format(
            klass=self.__class__.__name__,
            values=str(self),
            address=hex(id(self)))


1			#! /usr/bin/env python
2			#
3			# Copyright (C) 2015-2016 Rich Lewis <[email protected]>
4			# License: 3-clause BSD
5
6			"""
7			## skchem.core.base
8
9			Define base classes for scikit chem objects
10			"""
11
12			import warnings
13
14			class ChemicalObject(object):
15
16			""" A mixin for each chemical object in scikit-chem """
17
18			@classmethod
19			def from_super(cls, obj):
20
21			"""A method that converts the class of an object of parent class to that of the child. """
22
23			obj.__class__ = cls
24			return obj
25
26			class AtomView(object):
27
28			""" Atom interface wrapper """
29
30			def __init__(self, owner):
31			self.owner = owner
32			self._current = 0
33			self._high = self.owner.GetNumAtoms()
34
35			def __getitem__(self, index):
36			from .atom import Atom
37			return Atom.from_super(self.owner.GetAtomWithIdx(index))
38
39			def __iter__(self):
			0 ignored issues – show Bug introduced 2016-05-15 15:29 UTC by Report Bug Copy Issue Report `__iter__` should return an iterator. Loading history...
40			return AtomIterator(self.owner)
41
42			class AtomIterator(AtomView):
43
44			""" Atom iterator """
45
46			def __init__(self, owner):
47			super(AtomIterator, self).__init__(owner)
48			self._current = 0
49			self._high = self.owner.GetNumAtoms()
50
51			def __next__(self):
52			if self._current >= self._high:
53			raise StopIteration
54			else:
55			self._current += 1
56			return self[self._current - 1]
57
58
59			class PropertyView(object):
60
61			""" Property object wrapper """
62
63			def __init__(self, owner):
64			self.owner = owner
65
66			def __getitem__(self, index):
67			return self.owner.GetProp(str(index))
68
69			def __setitem__(self, key, value):
70			if not isinstance(value, str):
71			warnings.warn("""RDKit property keys and values can only be
72			`str`. Using `{value}` as a `str`.""".format(value=value))
73			self.owner.SetProp(str(key), str(value))
74
75			def __iter__(self):
76			return iter(self.keys())
77
78			def get(self, index, default=None):
			0 ignored issues – show Coding Style introduced 2016-05-15 15:29 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...
79			if index in self.keys():
80			return self[index]
81			else:
82			return default
83
84			def pop(self, index, default=None):
			0 ignored issues – show Coding Style introduced 2016-05-15 15:29 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...
85			if default:
86			val = self.get(index, default)
87			else:
88			val = self[index]
89			self.remove(index)
90			return val
91
92			def remove(self, index):
			0 ignored issues – show Coding Style introduced 2016-05-15 15:29 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...
93			self.owner.ClearProp(index)
94
95			def clear(self):
			0 ignored issues – show Coding Style introduced 2016-05-15 15:29 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...
96			for idx in self.keys():
97			self.remove(idx)
98
99			def keys(self):
			0 ignored issues – show Coding Style introduced 2016-05-15 15:29 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...
100			return list(k for k in self.owner.GetPropNames() if k[:1] != '_')
101
102			def items(self):
			0 ignored issues – show Coding Style introduced 2016-05-15 15:29 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...
103			return list((k, self[k]) for k in self.keys())
104
105			def __str__(self):
106			return str(dict(self))
107
108			def __repr__(self):
109			return '<{klass} values="{values}" at {address}>'.format(
110			klass=self.__class__.__name__,
111			values=str(self),
112			address=hex(id(self)))
113

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