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@@ 937-947 (lines=11) @@
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| 934 |
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# Atomic types |
| 936 |
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asym_symbols = odict.get('_atom_site_type_symbol') |
| 937 |
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if asym_symbols is not None: |
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asym_symbols_ = [] |
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for label in asym_symbols: |
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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) |
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if match is not None: |
| 944 |
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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) |
| 948 |
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asym_types = [_ATOMIC_NUMBERS[s] for s in asym_symbols_] |
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# Find where sites have disorder if necassary |
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@@ 750-760 (lines=11) @@
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| 747 |
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| 748 |
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# Atomic types |
| 749 |
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asym_symbols = block.get('_atom_site_type_symbol') |
| 750 |
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if asym_symbols is not None: |
| 751 |
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asym_symbols_ = [] |
| 752 |
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for label in asym_symbols: |
| 753 |
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sym = '' |
| 754 |
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if label and label not in ('.', '?'): |
| 755 |
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match = re.search(r'([A-Z][a-z]?)', label) |
| 756 |
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if match is not None: |
| 757 |
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sym = match.group() |
| 758 |
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asym_symbols_.append(sym) |
| 759 |
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else: |
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asym_symbols_ = [''] * len(asym_unit) |
| 761 |
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asym_types = [_ATOMIC_NUMBERS[s] for s in asym_symbols_] |
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| 763 |
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# Find where sites have disorder if necassary |