@@ 918-928 (lines=11) @@ | ||
915 | ||
916 | # Atomic types |
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917 | asym_symbols = odict.get('_atom_site_type_symbol') |
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918 | if asym_symbols is not None: |
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919 | asym_symbols_ = [] |
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920 | for label in asym_symbols: |
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921 | sym = '' |
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922 | if label and label not in ('.', '?'): |
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923 | match = re.search(r'([A-Z][a-z]?)', label) |
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924 | if match is not None: |
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925 | sym = match.group() |
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926 | asym_symbols_.append(sym) |
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927 | else: |
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928 | asym_symbols_ = [''] * len(asym_unit) |
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929 | asym_types = [_ATOMIC_NUMBERS[s] for s in asym_symbols_] |
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930 | ||
931 | # Find where sites have disorder if necassary |
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@@ 731-741 (lines=11) @@ | ||
728 | ||
729 | # Atomic types |
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730 | asym_symbols = block.get('_atom_site_type_symbol') |
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731 | if asym_symbols is not None: |
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732 | asym_symbols_ = [] |
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733 | for label in asym_symbols: |
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734 | sym = '' |
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735 | if label and label not in ('.', '?'): |
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736 | match = re.search(r'([A-Z][a-z]?)', label) |
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737 | if match is not None: |
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738 | sym = match.group() |
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739 | asym_symbols_.append(sym) |
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740 | else: |
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741 | asym_symbols_ = [''] * len(asym_unit) |
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742 | asym_types = [_ATOMIC_NUMBERS[s] for s in asym_symbols_] |
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743 | ||
744 | # Find where sites have disorder if necassary |