class TestTrajectoryChangesMethods(unittest.TestCase):
def setUp(self):
from analyze_changed_distances import TrajectoryChanges
self.trj_changes = TrajectoryChanges('all_pairs', 'serial')
self.lam = 16
def test_selection_pair(self):
changes_AB = self.trj_changes.changes(
self.lam,
selection_pair=('chain A and resid 1 to 10',
'chain A and resid 11 to 20'))
assertRawChangesDict(changes_AB)
def test_atom_pairs(self):
changes_specific_atoms = self.trj_changes.changes(
self.lam,
atom_pairs=[('(A)ASP-1:CA', '(A)SER-20:CA'),
('(A)ALA-2:CA', '(A)PRO-19:CA')])
assertRawChangesDict(changes_specific_atoms)
def test_residue_pairs(self):
changes_specific_residues = self.trj_changes.changes(
self.lam,
residue_pairs=[('(A)ASP-1', '(A)SER-20'),
('(A)ALA-2', '(A)PRO-19')])
assertRawChangesDict(changes_specific_residues)
class TestTrajectoryChangesMethods(unittest.TestCase):
def setUp(self):
from analyze_changed_distances import TrajectoryChanges
self.trj_changes = TrajectoryChanges('all_pairs', 'serial')
self.lam = 16
def test_selection_pair(self):
changes_AB = self.trj_changes.changes(self.lam, selection_pair=('chain A and resid 1 to 10',
'chain A and resid 11 to 20'))
assertRawChangesDict(changes_AB)
def test_atom_pairs(self):
changes_specific_atoms = self.trj_changes.changes(self.lam, atom_pairs=[('(A)ASP-1:CA', '(A)SER-20:CA'),
('(A)ALA-2:CA', '(A)PRO-19:CA')])
assertRawChangesDict(changes_specific_atoms)
def test_residue_pairs(self):
changes_specific_residues = self.trj_changes.changes(self.lam, residue_pairs=[('(A)ASP-1', '(A)SER-20'),
('(A)ALA-2', '(A)PRO-19')])
assertRawChangesDict(changes_specific_residues)
class TestPlotting(unittest.TestCase):
def setUp(self):
from analyze_changed_distances import TrajectoryChanges
self.trj_changes = TrajectoryChanges('all_pairs', 'serial')
self.lam = 16
def test_plotDistance(self):
self.trj_changes.plotDistance(('(A)ASP-1:CA', '(A)SER-20:CA'), lam=self.lam)
def test_matrixPlotChange(self):
changes = self.trj_changes.changes(self.lam)
v = changes.values()[0]
self.trj_changes.matrixPlotChange(v, lam=self.lam)
class TestPlotting(unittest.TestCase):
def setUp(self):
from analyze_changed_distances import TrajectoryChanges
self.trj_changes = TrajectoryChanges('all_pairs', 'serial')
self.lam = 16
def test_plotDistance(self):
self.trj_changes.plotDistance(('(A)ASP-1:CA', '(A)SER-20:CA'),
lam=self.lam)
def test_matrixPlotChange(self):
changes = self.trj_changes.changes(self.lam)
v = changes.values()[0]
self.trj_changes.matrixPlotChange(v, lam=self.lam)
def setUp(self):
from analyze_changed_distances import TrajectoryChanges
trj_changes = TrajectoryChanges('all_pairs', 'serial')
self.changes = trj_changes.changes(16)
def test_changes(self):
from analyze_changed_distances import TrajectoryChanges
trj_changes = TrajectoryChanges('all_pairs', 'serial')
changes_16 = trj_changes.changes(16)
assertRawChangesDict(changes_16)
def setUp(self):
from analyze_changed_distances import TrajectoryChanges
trj_changes = TrajectoryChanges('all_pairs', 'serial')
self.changes = trj_changes.changes(16)
def test_changes(self):
from analyze_changed_distances import TrajectoryChanges
trj_changes = TrajectoryChanges('all_pairs', 'serial')
changes_16 = trj_changes.changes(16)
assertRawChangesDict(changes_16)