 Alexander Rose
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781824c961
operators in IndexPairBonds as directed property
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2 lat temu |
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Alexander Rose
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4764251241
operator key tweaks
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2 lat temu |
|
Alexander Rose
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775e335292
remove cantor-pair use
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2 lat temu |
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Alexander Rose
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ba50760f92
add key to symmetry operator
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2 lat temu |
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dsehnal
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650d38dff8
Store IndexPairBonds as a dynamic property
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3 lat temu |
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Alexander Rose
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17a18d5fea
tweak bond assignment from IndexPairBonds
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3 lat temu |
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Alexander Rose
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73be238ac4
rename IndexPairBonds mapping field from id to key
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3 lat temu |
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Alexander Rose
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78b5d505bd
improve IndexPairBonds
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3 lat temu |
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Alexander Rose
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bce53d03a5
bond tweaks
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3 lat temu |
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Alexander Rose
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44308fa1fd
add maxDistance prop to IndexPairBonds
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3 lat temu |
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Alexander Rose
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cb1f52a8f4
index-pairs bonds fixes & improvements, better cif-core bond handling
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4 lat temu |
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Alexander Rose
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50d95ccf6a
volume refactoring
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5 lat temu |
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David Sehnal
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fb0634a0f4
added semicolons to linting rules
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5 lat temu |
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Alexander Rose
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5a8fd6d518
beter symmetry handling in index-pair bonds
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5 lat temu |
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Alexander Rose
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7a64334261
split mmcif parser into basic part and properties
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5 lat temu |
