@@ 937-947 (lines=11) @@ | ||
934 | ||
935 | # Atomic types |
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936 | asym_symbols = odict.get('_atom_site_type_symbol') |
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937 | if asym_symbols is not None: |
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938 | asym_symbols_ = [] |
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939 | for label in asym_symbols: |
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940 | sym = '' |
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941 | if label and label not in ('.', '?'): |
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942 | match = re.search(r'([A-Z][a-z]?)', label) |
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943 | if match is not None: |
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944 | sym = match.group() |
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945 | asym_symbols_.append(sym) |
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946 | else: |
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947 | asym_symbols_ = [''] * len(asym_unit) |
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948 | asym_types = [_ATOMIC_NUMBERS[s] for s in asym_symbols_] |
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949 | ||
950 | # Find where sites have disorder if necassary |
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@@ 750-760 (lines=11) @@ | ||
747 | ||
748 | # Atomic types |
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749 | asym_symbols = block.get('_atom_site_type_symbol') |
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750 | if asym_symbols is not None: |
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751 | asym_symbols_ = [] |
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752 | for label in asym_symbols: |
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753 | sym = '' |
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754 | if label and label not in ('.', '?'): |
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755 | match = re.search(r'([A-Z][a-z]?)', label) |
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756 | if match is not None: |
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757 | sym = match.group() |
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758 | asym_symbols_.append(sym) |
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759 | else: |
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760 | asym_symbols_ = [''] * len(asym_unit) |
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761 | asym_types = [_ATOMIC_NUMBERS[s] for s in asym_symbols_] |
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762 | ||
763 | # Find where sites have disorder if necassary |