示例#1
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 def setUp(self):
     fx.test_setup(self, 'editconf')
示例#2
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 def setUp(self):
     fx.test_setup(self,'pls_regression')
示例#3
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 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')
示例#6
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 def setUp(self):
     fx.test_setup(self, 'k_means')
示例#7
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 def setUp(self):
     fx.test_setup(self, 'sander_mdrun')
示例#8
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 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')
示例#11
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 def setUp(self):
     fx.test_setup(self, 'gmxselect')
示例#12
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 def setUp(self):
     fx.test_setup(self, 'template_container')
示例#13
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 def setUp(self):
     fx.test_setup(self, 'template_singularity')
示例#14
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 def setUp(self):
     fx.test_setup(self, 'solvate')
示例#15
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 def setUp(self):
     fx.test_setup(self, 'cpptraj_mask')
 def setUp(self):
     fx.test_setup(self, 'make_ndx_singularity')
示例#17
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 def setUp(self):
     fx.test_setup(self, 'acpype_params_gmx_opls')
 def setUp(self):
     fx.test_setup(self, 'renumber_structure_gro')
示例#19
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 def setUp(self):
     fx.test_setup(self, 'gmx_trjconv_str_ens')
示例#20
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 def setUp(self):
     fx.test_setup(self, 'gmx_energy')
示例#21
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 def setUp(self):
     fx.test_setup(self,'undersampling')
示例#22
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 def setUp(self):
     fx.test_setup(self, 'mutate')
示例#23
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 def setUp(self):
     fx.test_setup(self, 'checking_log')
 def setUp(self):
     fx.test_setup(self,'regression_predict')
示例#25
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 def setUp(self):
     fx.test_setup(self, 'drugbank')
示例#26
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 def setUp(self):
     fx.test_setup(self, 'mdrun_docker')
示例#27
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 def setUp(self):
     fx.test_setup(self, 'sort_gro_residues')
示例#28
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 def setUp(self):
     fx.test_setup(self, 'editconf_singularity')
示例#29
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 def setUp(self):
     fx.test_setup(self, 'cpptraj_dry_docker')
 def setUp(self):
     fx.test_setup(self, 'cpptraj_snapshot')