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@@ 921-931 (lines=11) @@
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| 918 |
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| 919 |
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# Atomic types |
| 920 |
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asym_symbols = odict.get('_atom_site_type_symbol') |
| 921 |
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if asym_symbols is not None: |
| 922 |
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asym_symbols_ = [] |
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for label in asym_symbols: |
| 924 |
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sym = '' |
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if label and label not in ('.', '?'): |
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match = re.search(r'([A-Z][a-z]?)', label) |
| 927 |
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if match is not None: |
| 928 |
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sym = match.group() |
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asym_symbols_.append(sym) |
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else: |
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asym_symbols_ = [''] * len(asym_unit) |
| 932 |
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asym_types = [_ATOMIC_NUMBERS[s] for s in asym_symbols_] |
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| 934 |
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# Find where sites have disorder if necassary |
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@@ 734-744 (lines=11) @@
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| 731 |
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| 732 |
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# Atomic types |
| 733 |
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asym_symbols = block.get('_atom_site_type_symbol') |
| 734 |
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if asym_symbols is not None: |
| 735 |
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asym_symbols_ = [] |
| 736 |
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for label in asym_symbols: |
| 737 |
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sym = '' |
| 738 |
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if label and label not in ('.', '?'): |
| 739 |
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match = re.search(r'([A-Z][a-z]?)', label) |
| 740 |
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if match is not None: |
| 741 |
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sym = match.group() |
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asym_symbols_.append(sym) |
| 743 |
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else: |
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asym_symbols_ = [''] * len(asym_unit) |
| 745 |
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asym_types = [_ATOMIC_NUMBERS[s] for s in asym_symbols_] |
| 746 |
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| 747 |
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# Find where sites have disorder if necassary |