def setUp(self):
fx.test_setup(self, 'editconf')
def setUp(self):
fx.test_setup(self,'pls_regression')
def setUp(self):
fx.test_setup(self, 'cpptraj_dry_singularity')
def setUp(self):
fx.test_setup(self, 'grompp_singularity')
def setUp(self):
fx.test_setup(self, 'parmed_cpinutil')
def setUp(self):
fx.test_setup(self, 'k_means')
def setUp(self):
fx.test_setup(self, 'sander_mdrun')
def setUp(self):
fx.test_setup(self, 'leap_gen_top')
def setUp(self):
fx.test_setup(self,'reduce_remove_hydrogens')
def setUp(self):
fx.test_setup(self, 'extract_molecule')
def setUp(self):
fx.test_setup(self, 'gmxselect')
def setUp(self):
fx.test_setup(self, 'template_container')
def setUp(self):
fx.test_setup(self, 'template_singularity')
def setUp(self):
fx.test_setup(self, 'solvate')
def setUp(self):
fx.test_setup(self, 'cpptraj_mask')
def setUp(self):
fx.test_setup(self, 'make_ndx_singularity')
def setUp(self):
fx.test_setup(self, 'acpype_params_gmx_opls')
def setUp(self):
fx.test_setup(self, 'renumber_structure_gro')
def setUp(self):
fx.test_setup(self, 'gmx_trjconv_str_ens')
def setUp(self):
fx.test_setup(self, 'gmx_energy')
def setUp(self):
fx.test_setup(self,'undersampling')
def setUp(self):
fx.test_setup(self, 'mutate')
def setUp(self):
fx.test_setup(self, 'checking_log')
def setUp(self):
fx.test_setup(self,'regression_predict')
def setUp(self):
fx.test_setup(self, 'drugbank')
def setUp(self):
fx.test_setup(self, 'mdrun_docker')
def setUp(self):
fx.test_setup(self, 'sort_gro_residues')
def setUp(self):
fx.test_setup(self, 'editconf_singularity')
def setUp(self):
fx.test_setup(self, 'cpptraj_dry_docker')
def setUp(self):
fx.test_setup(self, 'cpptraj_snapshot')