Ejemplo n.º 1
0
 def test_sub_coordinates(self):
     """
     load solvated trajectory into universe with unsolvated protein.
     """
     self.udry.load_new(self.XDR_SUB_SOL, sub=self.sub)
     ts = self.udry.atoms.ts
     assert_timestep_almost_equal(ts, self.ts)
Ejemplo n.º 2
0
 def test_sub_coordinates(self):
     """
     load solvated trajectory into universe with unsolvated protein.
     """
     self.udry.load_new(self.XDR_SUB_SOL, sub=self.sub)
     ts = self.udry.atoms.ts
     assert_timestep_almost_equal(ts, self.ts)
Ejemplo n.º 3
0
 def test_sub_coordinates(self, atoms):
     """
     load solvated trajectory into universe with unsolvated protein.
     """
     udry = mda.Universe(PDB_sub_dry)
     udry.load_new(self.XDR_SUB_SOL, sub=atoms.indices)
     ts = udry.atoms.ts
     assert_timestep_almost_equal(ts, atoms.ts)
Ejemplo n.º 4
0
 def test_sub_coordinates(self, atoms):
     """
     load solvated trajectory into universe with unsolvated protein.
     """
     udry = mda.Universe(PDB_sub_dry)
     udry.load_new(self.XDR_SUB_SOL, sub=atoms.indices)
     ts = udry.atoms.ts
     assert_timestep_almost_equal(ts, atoms.ts)