richlewis42 /
scikit-chem
| Total Complexity | 4 |
| Total Lines | 23 |
| Duplicated Lines | 0 % |
| 1 | #! /usr/bin/env python |
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| 18 | class Point3D(rdkit.Geometry.rdGeometry.Point3D, ChemicalObject): |
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| 19 | |||
| 20 | """ Class representing a point in scikit-chem """ |
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| 21 | |||
| 22 | def to_dict(self, two_d=True): |
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| 23 | |||
| 24 | """ Return a dictionary representation of the point """ |
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| 25 | |||
| 26 | if two_d: |
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| 27 | return {"x": round(self.x), "y": round(self.y)} |
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| 28 | else: |
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| 29 | return {"x": round(self.x), "y": round(self.y), "z": round(self.z)} |
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| 30 | |||
| 31 | def __repr__(self): |
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| 32 | return '<{klass} coords="({x:.2f}, {y:.2f}, {z:.2f})" at {address}>'.format( |
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| 33 | klass=self.__class__.__name__, \ |
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| 34 | x=self.x, \ |
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| 35 | y=self.y, \ |
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| 36 | z=self.z, \ |
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| 37 | address=hex(id(self))) |
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| 38 | |||
| 39 | def __str__(self): |
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| 40 | return '({x:.2f}, {y:.2f}, {z:.2f})'.format(x=self.x, y=self.y, z=self.z) |
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| 41 |
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__init__.pyfiles in your module folders. Make sure that you place one file in each sub-folder.