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#!/usr/bin/env python
"""
This file tests vtk.vtkMolecule, and verifies that atoms/bonds are added.
"""
import sys
import vtk
from vtk.test import Testing
class TestMolecule(Testing.vtkTest):
def testCreation(self):
"Testing if molecules can be created/modified."
mol = vtk.vtkMolecule()
self.assertEqual(mol.GetNumberOfAtoms(), 0, "Number of atoms incorrect")
self.assertEqual(mol.GetNumberOfBonds(), 0, "Number of atoms incorrect")
h1 = mol.AppendAtom(1, 0.0, 0.0, -0.5)
h2 = mol.AppendAtom(1, 0.0, 0.0, 0.5)
b = mol.AppendBond(h1, h2, 1)
self.assertEqual(mol.GetNumberOfAtoms(), 2, "Number of atoms incorrect")
self.assertEqual(mol.GetNumberOfBonds(), 1, "Number of atoms incorrect")
if __name__ == "__main__":
Testing.main([(TestMolecule, 'test')])
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