Completed
Push — master ( 4cde57...24f8d3 )
by Rich
01:30
created

ForceField   A

Complexity

Total Complexity 2

Size/Duplication

Total Lines 8
Duplicated Lines 0 %

Importance

Changes 1
Bugs 0 Features 1
Metric Value
wmc 2
c 1
b 0
f 1
dl 0
loc 8
rs 10

2 Methods

Rating   Name   Duplication   Size   Complexity  
A __init__() 0 3 1
A optimize() 0 2 1
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#! /usr/bin/env python
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#
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# Copyright (C) 2015 Rich Lewis <[email protected]>
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# License: 3-clause BSD
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"""
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## skchem.forcefields.base
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Module specifying base class for forcefields.
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"""
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class ForceField(object):
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Coding Style introduced by
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.

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    def __init__(self, warn_on_fail=True, error_on_fail=True):
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        self.warn_on_fail = warn_on_fail
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        self.error_on_fail = error_on_fail
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    def optimize(self, mol):
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Coding Style introduced by
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.

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        raise NotImplementedError
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Final newline missing
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