Error in pyxtal.symmetry module

[ignaspakamore]

When running the following code for certain space group numbers an error is returned:

>>> from pyxtal.symmetry import Group
>>> g = Group(int)
>>> g
-- Spacegroup --# 64 (Cmce)--
16g site symm: 1
8f  site symm: m..
8e  site symm: .2.
8d  site symm: 2..
8c  site symm: -1
4b  site symm: 2/m..
4a  site symm: 2/m..

Traceback (most recent call last):
  File "/Users/ignaspakamore/miniconda3/lib/python3.9/site-packages/pyxtal-0.5.6-py3.9.egg/pyxtal/symmetry.py", line 297, in __str__
    return self.string
AttributeError: 'Group' object has no attribute 'string'

During handling of the above exception, another exception occurred:

Traceback (most recent call last):
  File "<stdin>", line 1, in <module>
  File "/Users/ignaspakamore/miniconda3/lib/python3.9/site-packages/pyxtal-0.5.6-py3.9.egg/pyxtal/symmetry.py", line 312, in __repr__
    return str(self)
  File "/Users/ignaspakamore/miniconda3/lib/python3.9/site-packages/pyxtal-0.5.6-py3.9.egg/pyxtal/symmetry.py", line 303, in __str__
    ops = ss_string_from_ops(wp.symmetry[0], self.number, dim=self.dim)
  File "/Users/ignaspakamore/miniconda3/lib/python3.9/site-packages/pyxtal-0.5.6-py3.9.egg/pyxtal/symmetry.py", line 2691, in ss_string_from_ops
    if np.isclose(abs(np.dot(opa.axis, axis)), 1):
  File "<__array_function__ internals>", line 180, in dot
TypeError: unsupported operand type(s) for *: 'NoneType' and 'float'

It seems that it doesn't run for a certain set of space groups:
143
146
147
148
149
150
152
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194

[qzhu2017]

When running the following code for certain space group numbers an error is returned:

>>> from pyxtal.symmetry import Group

>>> g = Group(int)

>>> g

-- Spacegroup --# 64 (Cmce)--

16g site symm: 1

8f  site symm: m..

8e  site symm: .2.

8d  site symm: 2..

8c  site symm: -1

4b  site symm: 2/m..

4a  site symm: 2/m..

Traceback (most recent call last):

  File "/Users/ignaspakamore/miniconda3/lib/python3.9/site-packages/pyxtal-0.5.6-py3.9.egg/pyxtal/symmetry.py", line 297, in __str__

    return self.string

AttributeError: 'Group' object has no attribute 'string'



During handling of the above exception, another exception occurred:



Traceback (most recent call last):

  File "<stdin>", line 1, in <module>

  File "/Users/ignaspakamore/miniconda3/lib/python3.9/site-packages/pyxtal-0.5.6-py3.9.egg/pyxtal/symmetry.py", line 312, in __repr__

    return str(self)

  File "/Users/ignaspakamore/miniconda3/lib/python3.9/site-packages/pyxtal-0.5.6-py3.9.egg/pyxtal/symmetry.py", line 303, in __str__

    ops = ss_string_from_ops(wp.symmetry[0], self.number, dim=self.dim)

  File "/Users/ignaspakamore/miniconda3/lib/python3.9/site-packages/pyxtal-0.5.6-py3.9.egg/pyxtal/symmetry.py", line 2691, in ss_string_from_ops

    if np.isclose(abs(np.dot(opa.axis, axis)), 1):

  File "<__array_function__ internals>", line 180, in dot

TypeError: unsupported operand type(s) for *: 'NoneType' and 'float'

It seems that it doesn't run for a certain set of space groups:

143

146

147

148

149

150

152

154

155

156

157

158

159

160

161

162

163

164

165

166

167

168

173

174

175

176

177

178

179

180

181

182

183

184

185

186

187

188

189

190

191

192

193

194

Sorry for the late reply. This error is probably due to recent change. I will resolve it and get back to you asap.