@@ -4184,7 +4184,7 @@ def test_modify_coords(self):
41844184 new_xyz = converter .modify_coords (coords = xyz3 , indices = indices , new_value = new_val ,
41854185 modification_type = modification_type , mol = mol3 )
41864186 self .assertTrue (almost_equal_coords_lists (new_xyz , expected_xyz ))
4187- self .assertAlmostEqual (converter .get_zmat_param_value (coords = new_xyz , indices = indices , mol = mol3 ), new_val , 4 )
4187+ self .assertAlmostEqual (converter .get_zmat_param_value (coords = new_xyz , indices = indices , mol = mol3 ), new_val , 3 )
41884188
41894189 indices , new_val = [5 , 2 , 1 ], 160
41904190 expected_xyz = {'symbols' : ('O' , 'C' , 'C' , 'S' , 'O' , 'C' , 'C' , 'H' , 'H' , 'H' , 'H' , 'H' , 'H' , 'H' , 'H' , 'H' ),
@@ -4208,7 +4208,7 @@ def test_modify_coords(self):
42084208 new_xyz = converter .modify_coords (coords = xyz3 , indices = indices , new_value = new_val ,
42094209 modification_type = modification_type , mol = mol3 )
42104210 self .assertTrue (almost_equal_coords_lists (new_xyz , expected_xyz ))
4211- self .assertAlmostEqual (converter .get_zmat_param_value (coords = new_xyz , indices = indices , mol = mol3 ), new_val , 4 )
4211+ self .assertAlmostEqual (converter .get_zmat_param_value (coords = new_xyz , indices = indices , mol = mol3 ), new_val , 3 )
42124212
42134213 # test D_group modification
42144214 indices , new_val = [0 , 1 , 2 , 3 ], 98.7
@@ -4248,7 +4248,7 @@ def test_modify_coords(self):
42484248 new_xyz = converter .modify_coords (coords = xyz3 , indices = indices , new_value = new_val ,
42494249 modification_type = modification_type , mol = mol3 )
42504250 self .assertTrue (almost_equal_coords_lists (new_xyz , expected_xyz ))
4251- self .assertAlmostEqual (converter .get_zmat_param_value (coords = new_xyz , indices = indices , mol = mol3 ), new_val , 5 )
4251+ self .assertAlmostEqual (converter .get_zmat_param_value (coords = new_xyz , indices = indices , mol = mol3 ), new_val , 3 )
42524252
42534253 indices , new_val = [5 , 2 , 1 , 0 ], 162.3
42544254 expected_xyz = {'symbols' : ('O' , 'C' , 'C' , 'S' , 'O' , 'C' , 'C' , 'H' , 'H' , 'H' , 'H' , 'H' , 'H' , 'H' , 'H' , 'H' ),
@@ -4272,7 +4272,7 @@ def test_modify_coords(self):
42724272 new_xyz = converter .modify_coords (coords = xyz3 , indices = indices , new_value = new_val ,
42734273 modification_type = modification_type , mol = mol3 )
42744274 self .assertTrue (almost_equal_coords_lists (new_xyz , expected_xyz ))
4275- self .assertAlmostEqual (converter .get_zmat_param_value (coords = new_xyz , indices = indices , mol = mol3 ), new_val , 5 )
4275+ self .assertAlmostEqual (converter .get_zmat_param_value (coords = new_xyz , indices = indices , mol = mol3 ), new_val , 3 )
42764276
42774277 # test groups modification types
42784278 modification_type = 'groups'
@@ -4319,7 +4319,7 @@ def test_modify_coords(self):
43194319 new_xyz = converter .modify_coords (coords = xyz3 , indices = indices , new_value = new_val ,
43204320 modification_type = modification_type , mol = mol3 )
43214321 self .assertTrue (almost_equal_coords_lists (new_xyz , expected_xyz ))
4322- self .assertAlmostEqual (converter .get_zmat_param_value (coords = new_xyz , indices = indices , mol = mol3 ), new_val , 4 )
4322+ self .assertAlmostEqual (converter .get_zmat_param_value (coords = new_xyz , indices = indices , mol = mol3 ), new_val , 3 )
43234323
43244324 indices , new_val = [4 , 3 , 1 , 0 ], 236.02
43254325 expected_xyz = {'symbols' : ('C' , 'C' , 'O' , 'C' , 'C' , 'O' , 'H' , 'H' , 'H' , 'H' , 'H' , 'H' , 'H' , 'H' ),
@@ -4341,7 +4341,7 @@ def test_modify_coords(self):
43414341 new_xyz = converter .modify_coords (coords = xyz4 , indices = indices , new_value = new_val ,
43424342 modification_type = modification_type , mol = mol4 )
43434343 self .assertTrue (almost_equal_coords_lists (new_xyz , expected_xyz ))
4344- self .assertAlmostEqual (converter .get_zmat_param_value (coords = new_xyz , indices = indices , mol = mol4 ), new_val , 4 )
4344+ self .assertAlmostEqual (converter .get_zmat_param_value (coords = new_xyz , indices = indices , mol = mol4 ), new_val , 3 )
43454345
43464346 # test 1-indexed input
43474347 indices = [5 , 4 , 2 , 1 ]
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