def test_HydrogenRotatorBondSelector_select_all(self):
"""
test HydrogenRotator select: all bonds
"""
HRSel = HydrogenRotatorBondSelector()
ats = self.mol.allAtoms
bnds = ats.bonds[0]
resultBnds = HRSel.select(bnds)
#print 'all_hydrogenrotators:len(resultBnds)=', len(resultBnds)
self.assertEqual(len(resultBnds) , 18)
def test_HydrogenRotatorBondSelector_select_some(self):
"""
test HydrogenRotator select: some bonds
"""
HRSel = HydrogenRotatorBondSelector()
ats = self.mol.chains.residues[:8].atoms
bnds = ats.bonds[0]
resultBnds = HRSel.select(bnds)
#print 'some_hydrogenrotators:len(resultBnds)=', len(resultBnds)
self.assertEqual(len(resultBnds) , 4)
def test_HydrogenRotatorBondSelector_select_none(self):
"""
test HydrogenRotator select: no bonds
"""
HRSel = HydrogenRotatorBondSelector()
ats = self.mol.allAtoms[2:6]
bnds = ats.bonds[0]
resultBnds = HRSel.select(bnds)
#print 'no_hydrogenrotators:len(resultBnds)=', len(resultBnds)
self.assertEqual(len(resultBnds) , 0)
def test_HydrogenRotatorBondSelector_select_all(self):
"""
test HydrogenRotator select: all bonds
"""
HRSel = HydrogenRotatorBondSelector()
ats = self.mol.allAtoms
bnds = ats.bonds[0]
resultBnds = HRSel.select(bnds)
#print 'all_hydrogenrotators:len(resultBnds)=', len(resultBnds)
self.assertEqual(len(resultBnds), 18)
def test_HydrogenRotatorBondSelector_select_some(self):
"""
test HydrogenRotator select: some bonds
"""
HRSel = HydrogenRotatorBondSelector()
ats = self.mol.chains.residues[:8].atoms
bnds = ats.bonds[0]
resultBnds = HRSel.select(bnds)
#print 'some_hydrogenrotators:len(resultBnds)=', len(resultBnds)
self.assertEqual(len(resultBnds), 4)
def test_HydrogenRotatorBondSelector_select_none(self):
"""
test HydrogenRotator select: no bonds
"""
HRSel = HydrogenRotatorBondSelector()
ats = self.mol.allAtoms[2:6]
bnds = ats.bonds[0]
resultBnds = HRSel.select(bnds)
#print 'no_hydrogenrotators:len(resultBnds)=', len(resultBnds)
self.assertEqual(len(resultBnds), 0)