def test_load_vmd(self):
psf = PSFFile("input/pentapeptide.psf")
self.assert_(psf.bonds.shape[0] == 44)
self.assert_(psf.bends.shape[0] == 75)
self.assert_(psf.dihedrals.shape[0] == 98)
g = psf.get_graph()
def test_load_vmd(self):
psf = PSFFile("input/pentapeptide.psf")
self.assert_(psf.bonds.shape[0] == 44)
self.assert_(psf.bends.shape[0] == 75)
self.assert_(psf.dihedrals.shape[0] == 98)
g = psf.get_graph()
def test_load(self):
psf = PSFFile("input/thf.psf")
self.assert_(psf.bonds.shape[0] == 832)
self.assert_(psf.bends.shape[0] == 1600)
self.assert_(psf.dihedrals.shape[0] == 2112)
g = psf.get_graph()
def test_load(self):
psf = PSFFile("input/thf.psf")
self.assert_(psf.bonds.shape[0] == 832)
self.assert_(psf.bends.shape[0] == 1600)
self.assert_(psf.dihedrals.shape[0] == 2112)
g = psf.get_graph()
