Fullerenes

class sknano.core.structures.Fullerenes

Bases: object

Attributes Summary

N
data
fullerenes

Attributes Documentation

N = (20, 24, 26, 28, 30, 32, 34, 36, 38, 40, 42, 44, 46, 48, 50, 52, 60, 70, 72, 74, 76, 78, 80, 82, 84, 86, 90, 92, 94, 96, 98, 100, 180, 240, 260, 320, 500, 540, 720)

data = OrderedDict([('C20', {'files': ['/home/androo/local/anaconda3/envs/scikit-nano-py3/lib/python3.5/site-packages/scikit_nano-0.4.0.dev0+735d5c6-py3.5-linux-x86_64.egg/sknano/data/fullerenes/C20/C20-Ih.xyz'], 'Ih': OrderedDict([('files', ['/home/androo/local/anaconda3/envs/scikit-nano-py3/lib/python3.5/site-packages/scikit_nano-0.4.0.dev0+735d5c6-py3.5-linux-x86_64.egg/sknano/data/fullerenes/C20/C20-Ih.xyz']), ('isomer_numbers', [None]), (None, '/home/androo/local/anaconda3/envs/scikit-nano-py3/lib/python3.5/site-packages/scikit_nano-0.4.0.dev0+735d5c6-py3.5-linux-x86_64.egg/sknano/data/fullerenes/C20/C20-Ih.xyz')]), 'point_group_counter': Counter({'Ih': 1}), 'point_groups': ['Ih']}), ('C24', {'files': ['/home/androo/local/anaconda3/envs/scikit-nano-py3/lib/python3.5/site-packages/scikit_nano-0.4.0.dev0+735d5c6-py3.5-linux-x86_64.egg/sknano/data/fullerenes/C24/C24-D6d.xyz'], 'D6d': OrderedDict([('files', ['/home/androo/local/anaconda3/envs/scikit-nano-py3/lib/python3.5/site-packages/scikit_nano-0.4.0.dev0+735d5c6-py3.5-linux-x86_64.egg/sknano/data/fullerenes/C24/C24-D6d.xyz']), ('isomer_numbers', [None]), (None, '/home/androo/local/anaconda3/envs/scikit-nano-py3/lib/python3.5/site-packages/scikit_nano-0.4.0.dev0+735d5c6-py3.5-linux-x86_64.egg/sknano/data/fullerenes/C24/C24-D6d.xyz')]), 'point_group_counter': Counter({'D6d': 1}), 'point_groups': ['D6d']}), ('C26', {'files': ['/home/androo/local/anaconda3/envs/scikit-nano-py3/lib/python3.5/site-packages/scikit_nano-0.4.0.dev0+735d5c6-py3.5-linux-x86_64.egg/sknano/data/fullerenes/C26/C26-D3h.xyz'], 'D3h': OrderedDict([('files', ['/home/androo/local/anaconda3/envs/scikit-nano-py3/lib/python3.5/site-packages/scikit_nano-0.4.0.dev0+735d5c6-py3.5-linux-x86_64.egg/sknano/data/fullerenes/C26/C26-D3h.xyz']), ('isomer_numbers', [None]), (None, '/home/androo/local/anaconda3/envs/scikit-nano-py3/lib/python3.5/site-packages/scikit_nano-0.4.0.dev0+735d5c6-py3.5-linux-x86_64.egg/sknano/data/fullerenes/C26/C26-D3h.xyz')]), 'point_group_counter': Counter({'D3h': 1}), 'point_groups': ['D3h']}), ('C28', {'D2': OrderedDict([('files', ['/home/androo/local/anaconda3/envs/scikit-nano-py3/lib/python3.5/site-packages/scikit_nano-0.4.0.dev0+735d5c6-py3.5-linux-x86_64.egg/sknano/data/fullerenes/C28/C28-D2.xyz']), ('isomer_numbers', [None]), (None, '/home/androo/local/anaconda3/envs/scikit-nano-py3/lib/python3.5/site-packages/scikit_nano-0.4.0.dev0+735d5c6-py3.5-linux-x86_64.egg/sknano/data/fullerenes/C28/C28-D2.xyz')]), 'files': ['/home/androo/local/anaconda3/envs/scikit-nano-py3/lib/python3.5/site-packages/scikit_nano-0.4.0.dev0+735d5c6-py3.5-linux-x86_64.egg/sknano/data/fullerenes/C28/C28-D2.xyz', '/home/androo/local/anaconda3/envs/scikit-nano-py3/lib/python3.5/site-packages/scikit_nano-0.4.0.dev0+735d5c6-py3.5-linux-x86_64.egg/sknano/data/fullerenes/C28/C28-Td.xyz'], 'point_group_counter': Counter({'D2': 1, 'Td': 1}), 'Td': OrderedDict([('files', ['/home/androo/local/anaconda3/envs/scikit-nano-py3/lib/python3.5/site-packages/scikit_nano-0.4.0.dev0+735d5c6-py3.5-linux-x86_64.egg/sknano/data/fullerenes/C28/C28-Td.xyz']), ('isomer_numbers', [None]), (None, '/home/androo/local/anaconda3/envs/scikit-nano-py3/lib/python3.5/site-packages/scikit_nano-0.4.0.dev0+735d5c6-py3.5-linux-x86_64.egg/sknano/data/fullerenes/C28/C28-Td.xyz')]), 'point_groups': ['D2', 'Td']}), ('C30', {'files': ['/home/androo/local/anaconda3/envs/scikit-nano-py3/lib/python3.5/site-packages/scikit_nano-0.4.0.dev0+735d5c6-py3.5-linux-x86_64.egg/sknano/data/fullerenes/C30/C30-C2v-2.xyz', 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'/home/androo/local/anaconda3/envs/scikit-nano-py3/lib/python3.5/site-packages/scikit_nano-0.4.0.dev0+735d5c6-py3.5-linux-x86_64.egg/sknano/data/fullerenes/C32/C32-D3h-5.xyz')]), 'point_groups': None}), ('C34', {'files': ['/home/androo/local/anaconda3/envs/scikit-nano-py3/lib/python3.5/site-packages/scikit_nano-0.4.0.dev0+735d5c6-py3.5-linux-x86_64.egg/sknano/data/fullerenes/C34/C34-C2-1.xyz', '/home/androo/local/anaconda3/envs/scikit-nano-py3/lib/python3.5/site-packages/scikit_nano-0.4.0.dev0+735d5c6-py3.5-linux-x86_64.egg/sknano/data/fullerenes/C34/C34-C2-4.xyz', '/home/androo/local/anaconda3/envs/scikit-nano-py3/lib/python3.5/site-packages/scikit_nano-0.4.0.dev0+735d5c6-py3.5-linux-x86_64.egg/sknano/data/fullerenes/C34/C34-C2-5.xyz', '/home/androo/local/anaconda3/envs/scikit-nano-py3/lib/python3.5/site-packages/scikit_nano-0.4.0.dev0+735d5c6-py3.5-linux-x86_64.egg/sknano/data/fullerenes/C34/C34-C3v-6.xyz', 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fullerenes = ('C20', 'C24', 'C26', 'C28', 'C30', 'C32', 'C34', 'C36', 'C38', 'C40', 'C42', 'C44', 'C46', 'C48', 'C50', 'C52', 'C60', 'C70', 'C72', 'C74', 'C76', 'C78', 'C80', 'C82', 'C84', 'C86', 'C90', 'C92', 'C94', 'C96', 'C98', 'C100', 'C180', 'C240', 'C260', 'C320', 'C500', 'C540', 'C720')