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# Copyright 2005, 2007 Nanorex, Inc. See LICENSE file for details.
import unittest
import chem
import assembly
import Utility
import debug
from elements import PeriodicTable
Hydrogen = PeriodicTable.getElement(1)
Carbon = PeriodicTable.getElement(6)
Nitrogen = PeriodicTable.getElement(7)
Oxygen = PeriodicTable.getElement(8)
Singlet = PeriodicTable.getElement(0)
##########################
# Avoid this:
# QPaintDevice: Must construct a QApplication before a QPaintDevice
class DummyPixmap:
def __init__(self, iconpath):
pass
Utility.QPixmap = DummyPixmap
#########################
# enforce API protection
debug.privateMethod = debug._privateMethod
# We could do this in $HOME/.atom-debug-rc and avoid the need for
# the boolean altogether.
#########################
if False:
# Make sure the tests are really working
# Passivate no longer transmutes atoms
# so testPassivate should break
def passivate(self):
pass
chem.Atom.Passivate = passivate
#########################
def countElements(mol, d):
"""In a molecule, verify the numbers of atoms with given element names.
"""
for name in d.keys():
expectedCount = d[name]
count = 0
for a in mol.atlist:
if a.element.name == name:
count += 1
assert count == expectedCount
class ChemTest(unittest.TestCase):
"""Various tests of chemistry bookkeeping
"""
def setUp(self):
self.assy = assy = assembly.assembly(None)
self.mol = mol = chem.molecule(assy)
self.a = a = chem.Atom("C", chem.V(0.0, 0.0, 0.0), mol)
self.a.set_atomtype("sp3", True)
def testInitialCounts(self):
countElements(self.mol,
{"Carbon": 1,
"Hydrogen": 0,
"Singlet": 4})
def testPassivate(self):
self.a.Passivate()
assert self.a.element.name == "Neon"
def testHydrogenate(self):
self.mol.Hydrogenate()
countElements(self.mol,
{"Carbon": 1,
"Hydrogen": 4,
"Singlet": 0})
def testDehydrogenate(self):
self.testHydrogenate()
self.mol.Dehydrogenate()
self.testInitialCounts()
if __name__ == "__main__":
suite = unittest.makeSuite(ChemTest, "test")
runner = unittest.TextTestRunner()
runner.run(suite)
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